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SIM4ME

Translation of Models

Invensys – SimSci-Esscor 5760 Fleet Street, Ste. 100,

Carlsbad, CA 92008

Dynsim 4.2 : Translation The software described in this guide is furnished under a written agreement and may be used only in accordance with the terms and conditions of the license agreement under which you obtained it. The technical documentation is being delivered to you AS IS and Invensys Systems, Inc. makes no warranty as to its accuracy or use. Any use of the technical documentation or the information contained therein is at the risk of the user. Documentation may include technical or other inaccuracies or typographical errors. Invensys Systems, Inc. reserves the right to make changes without prior notice.

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Table of Contents

Introduction and Overview on Translators..................................1 Process Representations ................................................................................ 1 A Two-Stage Translation ................................................................................. 2 Rules for Equipment Additions ........................................................................ 3

Supported Equipment Models and Thermodynamics................5 Unit Operations................................................................................................ 5 Thermodynamics Options................................................................................ 5 Translation Reports ......................................................................................... 6

Application Briefs..........................................................................7 HYSYS™ – PRO/II .......................................................................................... 7 HYSYS™ - ROMeo ......................................................................................... 8 HYSYS™ - Dynsim.......................................................................................... 8

Unit Translations .........................................................................10 Air Cooler....................................................................................................... 10 Column .......................................................................................................... 12 Compressor ................................................................................................... 33 Continuous Strirred Tank Reactor................................................................. 45 Conversion Reactor....................................................................................... 50 Equilibrium Reactor ....................................................................................... 56 Expander ....................................................................................................... 62 Fired Heater................................................................................................... 70 Flash .............................................................................................................. 74 Gibbs Reactor................................................................................................ 83 LNG Exchanger ............................................................................................. 87 Mixer .............................................................................................................. 89 Pipe................................................................................................................ 94 Plug Flow Reactor ....................................................................................... 104 Pump ........................................................................................................... 109 Reset ........................................................................................................... 116 Reaction Set ................................................................................................ 121 Rigorous Heat Exchanger ........................................................................... 127 Shortcut Column.......................................................................................... 142 Simple Heat Exchanger............................................................................... 145 Spec, Vary and Define................................................................................. 158 Splitter.......................................................................................................... 165 Stream ......................................................................................................... 170 Stream Calculator........................................................................................ 174 Valve............................................................................................................ 176

Validation ...................................................................................183 Feed Validation............................................................................................ 183 Product Validation ....................................................................................... 183 Global Validation - Dynsim ......................................................................... 183 Pressure Imbalance..................................................................................... 184

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Translation of PRO/II Models

Introduction and Overview on Translators Process Representations SimSci-Esscor offers many different software products tailored to suit specific process simulation applications. For example, there is PRO/II for steady state simulation, Dynsim for dynamic simulation and ROMeo for process optimization and performance monitoring. Each of these software offerings follows a process flow sheet paradigm, but their respective flow sheets differ in appearance because they are customized to be optimal for their particular application. Lets consider modeling a process valve as illustrated below:

Source: I&CS Magazine, April 1999, PennWell Publishing A design engineer would create a PRO/II model and the resulting flow sheet would appear as:

For design purposes, the engineer is primarily interested in any phase-split through the valve and

r:

the size of the valve for a specified design flow rate. Now consider the analogous flow sheet within Dynsim, perhaps generated by a control enginee

The heart of this flow sheet is still the same valve, but in this flow sheet, Source & Sink equipment representing the process battery limits are explicitly represented because their state

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determines the flow rates during a dynamic simulation. Recall that in dynamic simulation, all flows are calculated from varying pressures and reverse flow is possible. In addition, since the flow rate is no longer a specified quantity, but a dynamically calculated one, a control scheme may be required to drive the process toward a desired flow rate via a set point. Now consider the same PRO/II flowsheet within ROMeo. Notice that additional instruments like flow meter, temperature probe have been added. These instruments represent the actual field data nd are useful in conducting online optimization or performance monitoring. a

A T oAt t e different views

f the same process. A need was seen to arrive at a program where the user can use the same etween

rograms and gives the user more functionality and flexibility than the programs working independently.

following PRO/II flow sheet of a multi-feed valve:

w -Stage Translation his point, it should be possible to ascertain why SimSci-Esscor supports thes

osimulation and perform different studies. Thus, the Translator provides interoperability bp

The process of translation occurs in two stages:

• PRO/II to Common Data Model • Common Data Model to Dynsim or ROMeo.

To help clarify this, lets consider the

In its sustained efforts to be very user friendly, PRO/II allows the user to take many short cuts when constructing a flow sheet. For instance, in reality, streams don’t just originate or terminate into thin air. They are connected to a feed or product tank or another process. Similarly, you will

ever see a multiple streams (i.e., pipes) directly flowing into a valve; they will need to be ninitially mixed in some sort of mixer, header or tank. Thus, the representation of this process in the “Common Data Model” will be:

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To arrive at the minimal physical representation, the model was altered from four streams and one-piece equipment to five streams and six pieces of equipment. This configuration will allow for a more realistic translation into other flow sheet styles, be it Dynsim or ROMeo. The second step of the translation is to move from the “Common Data Model” representation to an actual Dynsim or ROMeo flow sheet. Here, additional equipment may be introduced to satisfy the req

er the resulting Dynsim flow sheet:

uirements of this software. Consid

Dynsim employs a pressure/floweparators, sources, sinks) be separated

solver which mandates that all pressure node devices (tanks, by flow devices (valves, pipes) relative to process stream

on t fy this software specific req m piec o

sc nec ivity. Thus, three additional valves were introduced to satis

uire ent. In the end, a single valve model in PRO/II yielded a Dynsim flow sheet with ninees f equipment.

S ynsim and PRO/II to ROMeo for ow.

Rules for Equipment Additions It should be clear from the preceding example, that a set of simple rules is employed when translating a flow sheet from PRO/II to the “Common Data Model” and subsequently to Dynsim. These can be summarized as follows: In the “Common Data Model”

• All streams will be connected at both ends to equipment. • PRO/II streams with a non-connected end will force the introduction of a Source unit. • Flow devices (i.e., valves, pipes) will have only a single input and single output. • PRO/II flow devices with multiple feeds or products will force the introduction of a

mixing or splitting device (i.e., a header or drum).

imSci-Esscor addresses translation from PRO/II to Dn

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Now moving to the Dynsim flow sheet, this software requires

• All pressure node devices must be separated by a flow device • Two, directly connected pressure node devices from the “Common Data Model” will

force the introduction of a valve, namely the default flow device • Flow should follow a negative pressure gradient • Flow paths with a positive pressure gradient will force the introduction of a stream set

unit.

Comprehending these rules should eliminate any ambiguity resulting from the added complexity of your dynamic flow sheet.

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Supported Equipment Models and Thermodynamics The functionalities applicable to PRO/II, Dynsim, and ROMeo environments, which were considered during this integration, are detailed below. The initial model will involve retrieving data from a PRO/II database having a limited set of unit operations (i.e., stream, valve, etc) mapping it into a set of Dynsim or ROMeo equipment models (i.e., source, stream, valve, sink, etc) and saving it in a relevant Dynsim or ROMeo database. Mapping will be accomplished using the quickest possible implementation and using only a minimal supporting framework. Unit Operations The functionalities included in this integration are listed below.

• Air Cooler • Pipe • Column • Pump • Compressor • Reaction Set • Conversion Reactor • Reset • Continuous Stirred Tank Reactor • Rigorous Exchanger • Equilibrium Reactor • ShortCut Column • Expander • Simple Exchanger • Fired Heater • Spec, Vary and Define • Flash • Splitter • Gibbs Reactor • Streams • LNG Exchanger • Stream Cutter • Mixer • Valve and Relief Valve • Plug Flow Reactor

Thermodynamics Options Accurate modeling relies on a strong foundation of thermo physical property prediction. Specific thermodynamics methods that have been utilized during this integration are as follows:

• Henry’s Law /EOS • Density Methods: Rackett & Costald • Packages: Glycol, Amine & Alcohol • UOM conversions by UOM server • Library Manager

For a HYSYS™ to PRO/II translation, the thermodynamic options are listed in the Quick Reference Guide.

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Translation Reports The presentation of data in a consistent format is critical. All status messages are routed to the Dynsim message monitor.

Tables, Reports and Trends will be in their inherent format as in Dynsim environment. However, it is to be noted that certain reporting functionality available in PRO/II may not be available in Dynsim.

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Application Briefs This HYSYS™ Application briefs (*.xml) provided with PRO/II illustrate the use of Translator to solve a wide range of typical industrial problems. The set of application briefs provide a reference to various HYSYS™ scenarios, their corresponding translations in PRO/II, Dynsim, ROMeo and what the typical results might be. The Application briefs are divided into industry segements and are classified as: Gas Processing, Refining and Petrochemical. The list of supported Application briefs are located in \\SIMSCI\Proii71\User\Applib of your installed program. HYSYS™ – PRO/II Gas Processing

1. Deethanizer – Separation of ethane and lighter components from light hydrocarbon gas stream.

2. Refrigeration loop – Effect on refrigeration loop of losing auxiliary cooling duty. 3. Compressor train – Selection of compressors for transportation of gas stream by a

pipeline. 4. Expander plant – Separation of methane and lighter components from production gas. 5. Assay debutanizer – Separation of methane and higher gases from hydrocarbon stream.

Refining

1. Crude oil distillation – Atmospheric distillation of crude oil. 2. Stabilizer – Wild naphtha stream stabilization column.

Petrochemical

1. C3 Splitter – Propane/propylene splitter. 2. C2 Splitter – Ethane/Ethylene splitter.

3. BTX Separation – Benzene, Tolune and Xylene separator.

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HYSYS™ - ROMeo Gas Processing



pipeline. 4. Expander plant – Separation of methane and lighter components from production gas.

5. Assay debutanizer – Separation of methane and higher gases from hydrocarbon stream.

Refining

1. Stabilizer – Wild naphtha stream stabilization column (Set vapor enthalpy method to Redlich - Kwong).

Petrochemical

1. C3 Splitter – Propane/propylene splitter 2. C2 Splitter – Ethane/Ethylene splitter (Check the customization block).

HYSYS™ - Dynsim For files containing Column, set Hydraulic properties in PRO/II for proper sizing of Column in Dynsim and stable steady state. You may have to check whether the PRO/II flowsheet adheres to the Dynsim flow-pressure solver rules in order to get a stable steady state in Dynsim. Gas Processing



pipeline. 4. Expander plant – Separation of methane and lighter components from production gas.

5. Assay debutanizer – Separation of methane and higher gases from hydrocarbon stream.

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Refining

1. Crude oil distillation – Atmospheric distillation of crude oil (Set vapor enthalpy method to Redlich - Kwong).

2. Stabilizer – Wild naphtha stream stabilization column (Set vapor enthalpy method to

Redlich - Kwong).

Petrochemical

1. C3 Splitter – Propane/propylene splitter. 2. C2 Splitter – Ethane/Ethylene splitter.

3. BTX Separation – Benzene, Tolune and Xylene separator.

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Unit Translations The SIM4ME Translator is the infrastructure used to convert simulation data files from one simulation engine to another. The first version supports conversion from PRO/II to Dynsim, the second version PRO/II to ROMeo and the third version from HYSYS™ to PRO/II. Air Cooler This section describes the scope and various scenarios of a HYSYS™ Air Cooler translation to a PRO/II Utility Excahnger. Base PRO/II Model – Utility Exchanger Introduction and Usage of the Model PRO/II Utility Exchanger is a single sided heat exchanger with utility being defined on the other side. Air can be mapped as utility fluid on the cold side while the process fluid is mapped on the hot side. Parameters Utility HX Parameter UOM Description

HotProdTempCalc K Process Stream Outlet temperature DutyCalc KJ/sec Air Cooler Duty FeedData Feed Streams ProductData Product Streams SpecTypeFlag Specification Type Flag UtilityPresCalc Utility Stream Outlet Pressure HxSides Heat Exchanger Side Type Flag HotPressDropCalc KPa Process Stream Pressure Drop ColdPressDropCalc KPa Utility Stream Pressure Drop NumberOfTubePass Number of Tube Pass NumberOfShellPass Number of Shell Pass UtilityFlowRate Kg-mol/sec Utility Flow Rate UtilityTempIn K Utility Inlet Temperature UtilityTempOutCalc K Utility Outlet Temperature UtilityFluidFlag Utility Fluid Type UtilitySideFlag Utility Fluid Side Flag Equivalent Hysys Model – Air Cooler Introduction of the Model HYSYS™ Air Cooler unit operation uses an ideal “inbuilt” air mixture as a heat transfer medium to cool an inlet process stream to a required exit stream condition. One or more fans circulate the air through bundles of tubes to cool process fluids. The airflow rate can be specified or calculated from the fan rating information. The Air Cooler can solve for sets of specification including:

• Overall heat transfer coefficient, UA • Total air flow

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• Exit stream Temperature Parameters Parameter/Variable Type Description FeedStreams STRINGARRAY Process Feed Stream ProdStreams STRINGARRAY Process Product Stream PressureDrop FLOAT Process Pressure Drop AirInletTemperature FLOAT Air Inlet Temperature AirOutletTemperature FLOAT Air Outlet Temperature UA FLOAT Overall heat transfer coefficient AirVolume FLOAT Air Volume Configuration STRING Air Cooler Configuration NumberOfFans LONG Number of Fans TotalAirFlow FLOAT Total Air Flow

Common Data Base Structure ProII Simple HX Parameters

TL Utility Exchanger Parameter Hysys Air Cooler Parameters

FeedData FeedStreams FeedStreams ProductData ProdStreams ProdStreams HotPressDropCalc Process.PressureDrop PressureDrop UtilityTempIn Utility.FeedTemperature AirInletTemperature UtilityTempOutCalc Utility.ProdTemperature AirOutletTemperature UaCalc UAValue UA AirVolume NumberOfTubePass NumberOfShellPass

NumberOfTubePass NumberOfShellPass Configuration

NumberOfFans UtilityFlowRate Utility.MassFlow TotalAirFlow UtilityFluidFlag UtilityFluidFlag UtilitySideFlag UtilitySideFlag HxSides HxSides SpecTypeFlag SpecTypeFlag HotProdTempCalc UtilityPresCalc Process.Press

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Column Base PRO/II Model Introduction and Usage of the Model The PRO/II Column supports various features. Please refer to the PRO/II Reference manual for details. Parameters The parameters that are used in the translation are from different PRO/II classes, namely Column, “ColumnIn” and “TraySizRat”. The parameters from the “Column” class alone are not sufficient for the translation. Therefore, we use parameters from the other classes too. The UOM for the parameters are based on the P2Internal UOM Slate. Parameter UOM Description NumberOfTrays Number of trays in the column NumComps Number of components TrayTemperatures K Tray temperatures TrayPressures kPa Tray pressures TrayNetVapRates kg-mol/sec Tray net vapor rates TrayNetLiqRates kg-mol/sec Tray net liquid rates TrayTotalVaporRates kg-mol/sec Tray total vapor rates TrayTotalLiqRates kg-mol/sec Tray net liquid rates TrayL1TotalRate kg-mol/sec Tray net liquid1 rates TrayL2TotalRate kg-mol/sec Tray net liquid2 rates TrayVaporMolarEnth kJ/ kg-mol Tray vapor molar enthalpy TrayLiquidMolarEnth kJ/ kg-mol Tray liquid molar enthalpy TrayVaporMoleFracs fraction Tray vapor compositions TrayLiquidMoleFracs fraction Tray liquid compositions TrayL1MolFrac fraction Tray liquid1 compositions TrayL2MolFrac fraction Tray liquid2 compositions TrayNumOfLiqPhases Number of liquid phases in tray TrayVleKValues Tray VLE K values CurrentFeeds Current number of feeds to the unit CurrentProducts urrent number of products from the unit C ThermoClassVLLEFlg VLLE thermo flag VlleCheckFlag VLLE checking flag FreeWaterFlag Free water flag CondenserCode Condenser flag ReboilerCode Reboiler flag NumberOfHeaters Number of heaters HeaterNames Heater names HeaterRegOrPAFlag Regular or pump-around heater flag HeaterTrayLoc Heater tray location HeaterDuties kJ Heater duties

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Parameter UOM Description HeatLeak kJ Heat leaks ThermosiphonRebFlag Thermo-siphon reboiler flag FeedSeparateFlag Separate feeds flag OverallFeedSep Separate all or individual feeds flag IndFeedSepFlag Separate flag for individual feeds PckngTotNumSect Total number of packed sections NumberOfFlashZones Number of flash zones TrayEfficFlag Tray efficiency method TrayEfficiencyFactor Efficiency factor for tray efficiencies TrayEfficiency Tray efficiencies NumOfCompEffTrays1 Number of tray component-efficiency trays

NumOfCompEfCompsSet1 Number of tray component-efficiency components

TrayCompEffPrmry Array of user specified component-efficiencies

TrayCompEffThird Array of component-efficiencies PRO\II actually uses

CurrentPseudoProds Current number of pseudo-products from the u nit

PseudoProdData Pseudo-product streams from unit TFlowPhaseFlag Total flow pseudo-product phase flag TFlowTrayNum Total flow pseudo-product tray numbers ThermoSRebFeed P seudo-stream of feed to thermo-siphon reboiler

ThermoSRebLiqProd Pseudo-stream of liquid product from thermo- s iphon reboiler

ThermoSRebVapProd Pseudo-stream of vapor product from thermo-siphon reboiler

NumberOfTlowPas Number of pseudo pump-around streams PmpArTFlowTrayFrom Pseudo pump-around streams tray numbers PmpArTFlowPhaseFlag Pseudo pump-around streams phase flag NumberOfPumparounds Number of pump-arounds PumparoundNames Pump-around names PumpAroundType Pumparound specification type PumpAroundTrayFrom Pump-around from-tray numbers PumpAroundTrayTo Pump-around to-tray numbers PumpAroundPhase1 Pump-around phase PumpAroundPhase2 Pump-around return phase PumpAroundTdTFlag Pump-around return temperature specification PumpAroundHeaterNum Pump-around heater number PumpAroundMolRate kg-mol/sec Pump-around molar rate PumpAroundEnthalpy kJ Pump-around return enthalpy PumpAroundPressure kPa Pump-around return pressure

PumpAroundTempOrDT K Pump-around return temperature or temperature drop

PumpAroundLiqFrac fraction Pump-around return liquid fraction RxnPresentFlag Reactions present in column flag

~TrayVaporMW Mole Weight

Tray vapor molecular weights (calculated using P2OLEDBS during translation)

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Parameter UOM Description

~TrayVaporDensity kg/m3Tray vapor densities (calculated using P2OLEDBS during translation)

~TrayLiquidMW Mole Weight

Tray liquid molecular weights (calculated using P2OLEDBS during translation)

~TrayLiquidDensity kg/m3Tray liquid densities (calculated using P2OLEDBS during translation)

~COMPSLATE Component slate (default – ALL) ColumnIn Parameters Parameter UOM Description FeedData eed stream IDs F FeedTrays eed tray numbers F ProductData Product stream IDs ProdTrays Product tray numbers ProdType roduct types P ColMultThermoFlag Flag to determine whether or not multiple thermo

methods are used ColThermoMethod Column thermo method TrayThermoMethod Tray thermo methods TFlowStreamIDs Total flow pseudo-product stream ids PmpArTFlowStreamIDs Pump-around pseudo stream ids

TraySizRat Parameters Parameter UOM Description NumOfTraySizingSects umber of sizing sections N NumOfTrayRatingSects Number of rating sections

SizingPressDropScal Tray sizing: pressure drop scaling value for alculation time c

SizingFirstTray ray sizing: first tray in section T SizingLastTray ray sizing: last tray in section T SizingTrayType Tray sizing: tray type DumSR12 m Tray sizing: tray diameter SizingTraySpacing m ray sizing: tray spacing T RatingPressDropScal Tray rating: pressure drop scaling value for

alculation time c RatingFirstTray ray rating: first tray in section T RatingLastTray ray rating: last tray in section T RatingTrayType Tray rating: tray type RatingTrayDiameter m Tray rating: tray diameter RatingTraySpacing m Tray rating: tray spacing RatingWeirHeight m ray rating: weir height T DumSR17 kPa Tray pressure drop DumSR07 Tray sizing: number of passes RatingNumberOfPasses ray rating: number of passes T DumSR08 Tray sizing: number of valves or caps DummyI27 Tray rating: number of valves or caps

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Parameter UOM Description RatingVSorCdiam m ray rating: valve, sieve, or cap diameter T RatingPctSvHoleArea percent ray rating: sieve hole area T DumSR20 m Tray side down-comer width DumSR21 m Tray center down-comer width DumSR22 m Tray off-Center down-comer width DumSR23 m Tray off-Side down-comer width

Equivalent Dynsim Model / Models Introduction and Usage of the Model(s) The PRO/II column translates into various models in Dynsim. In addition to the Tower, other models such as the Utility-Exchanger, Pump, Drum, Separator, Source, Stream, and Pipe may also be used depending on the feature being exercised in PRO/II. Please refer to the Dynsim Base Equipment Reference Manual for details on their usage. Parameters This section lists the Dynsim parameters that are set by the translator for the Tower and Separator models. Please refer to the appropriate functional specification documents for the parameter lists of the other models. The UOM for the parameters are based on the DSInternal UOM Slate. Static Parameters Column Parameter UOM Description NSTAGE none Number of stages NSECTIONS none Number of sections STARTSTAGE none Start stage for each section OFEEDSTREAM none Feed streams OPRODSTREAM none Product streams OPRODVAPOR none Vapor port product stream OPRODLIQUID none Liquid port product stream OBASEFEEDVAPOR none Vapor feed stream from the base model OBASEPRODLIQUID none Liquid product stream to the base model FEEDSTAGE none Feed tray location PRODSTAGE none Product tray location MM kg Column total metal mass LX m Outlet port height COMPSLATE none Component slate METHODSLATE none Method slate INTERNALPHASES none Phases for internal flash E m Relative elevation UL kW/m2-K Loss heat transfer coefficient

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Parameter UOM Description DIA m Tray diameter SPACING m Tray spacing WEIRHEIGHT m Weir height AERATIONFACTOR fraction Aeration fraction DOWNCOMERAREAFRAC fraction Down-comer area fraction on the tray WEIRLENGTHFRAC fraction Weir length fraction HOLEAREAFRAC fraction Hole area fraction on the tray HOLDUPFACTOR fraction Stage factor WEEPVAPFLOW kg-mol/sec Weep vapor flow KJ none Flow conductance factor STAGEEFF fraction Stage efficiency PASSES none Number of passes

Separator Parameter UOM Description ORIENTATION none Separator orientation OFEEDSTREAM none Feed streams OPRODSTREAM none Product streams LI m Height of inlet port LX m Height of outlet port LEN m Vessel length DIA m Vessel diameter KVRECYCLE 1/sec Vapor Recycle tuning constant KLRECYCLE 1/sec Liquid Recycle tuning constant COMPSLATE none Component slate METHODSLATE none Method slate INTERNALPHASES none Phases for internal flash FEEDSTREAMSIDE none Side assignment for Feed streams (weir

present) PRODSTREAMSIDE none Side assignment for Liquid-port streams

(weir present) HEIGHTWEIR m Weir Height DISTWEIR m Weir Length

State and Dynamic Parameters Column Parameter UOM Description P kPa Pressure UT kJ Total internal energy state TM K Metal temperature FV kg-mol/sec Vapor product mole flow rate MWV Mole Weight Vapor product molecular weight RV kg-mol/m3 Vapor product mole density QIMP kJ/sec Imposed heat to fluid M kg-mol Total composition state

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Separator Parameter UOM Description QIMPL kJ/sec Imposed heat to liquid P kPa Pressure TM K Metal temperature MV kg-mol Total vapor holdup composition state ML kg-mol Total liquid holdup composition state UTV kJ Total vapor holdup internal energy state UTL kJ Total liquid holdup internal energy state MLR kg-mol Total liquid holdup composition state (right

side of weir) UTLR kJ Total liquid holdup internal energy state

(right side of weir) QIMPLR kJ/sec Imposed heat to liquid (right side of weir)

Equivalent ROMeo Model / Models Introduction and Usage of the Model(s) Please refer to the ROMeo Reference Manual for details on the ROMeo Column model. Parameters This section lists the ROMeo parameters that are set by the translator for the Column. The ROMeo Column model aggregates one or more “TrayedSection” models. The translated column will contain one TrayedSection model named “TrSct_1” or “PckSct_1.” The UOM for the parameters are based on the RMInternal UOM Slate. Parameter UOM Description ~FeedStreams Feed streams ~ProdStreams Product streams ~FeedPorts Ports to which feed streams are connected to ~ProdPorts Ports to which product streams are

connected to TopTempEstimate K Minimum temperature estimate BotTempEstimate K Maximum temperature estimate ~COMPSLATE Component slate ~MethodSlate Method slate ~SideHeaterNames Side heater/cooler names ~SideHeaterTrayedSectNames Side heater/cooler trayedsection name s ~SideHeaterTrayLoc Side heater/cooler tray locations ~SideHeaterDuties Side heater/cooler duties ~SideHeaterDeferSpecsToColumn Side heater/cooler defer spec to column flag

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TrayedSection Parameter UOM Description SectionType Section configuration InitialNumOfTrays Number of trays FeedTray[Trays, Feed] Tray location of feed DrawTray[Trays, Draws] Tray location of product DrawPhase[Draws] Phase of the draw/product stream ProdStreamSpecOption[Draws] Specification on the draw/product

stream ~TrayL2Present[Trays] Liquid2 presence flag. v_BtmEquipPres kPa Bottom pressure of trayed section v_NetVap[Stages] kg-mol/sec Net vapor rate leaving stage v_NetLiq1[Stages] kg-mol/sec Net liquid1 rate leaving stage v_NetLiq2[Stages] kg-mol/sec Net liquid2 rate leaving stage v_TotVap[Stages] kg-mol/sec Total vapor rate leaving stage v_TotLiq1[Stages] kg-mol/sec Total liquid1 rate leaving stage v_TotLiq2[Stages] kg-mol/sec Total liquid2 rate leaving stage v_StagePres[Stages] kPa Stage pressure v_StageTemp[Stages] K Stage temperature v_TrayPres[Trays] kPa Tray pressure v_TrayTemp[Trays] K Tray temperature v_DeltaPresPerTray[Trays] kPa Delta pressure per tray v_HeatLeak[Stages] kJ/sec Stage heat leaks PIntrp.v_DeltaPresPerStage[Stages] kPa Pressure interpolation model – Delta

pressure per stage TIntrp.v_DeltaTempPerStage[Stages] K Temperature interpolation model -

Delta temperature per stage TIntrp.v_DeltaTempPerTray[Trays] K Temperature interpolation model -

Delta temperature per tray Vap[Stages].v_MoleFrac[Comps] fraction Stage vapor composition Liq1[Stages].v_MoleFrac[Comps] fraction Stage liquid1 composition Liq1[Stages].v_SumMoleFrac fraction Stage liquid1 sum of mole fractions Liq2[Stages].v_MoleFrac[Comps] fraction Stage liquid2 composition Liq2[Stages].v_SumMoleFrac fraction Stage liquid2 sum of mole fractions ~SelectedEffModelType Tray efficiency type DefaultEfficiency Default tray efficiency ~SplitMapSection Tray numbers of the last trays of tray

efficiency mapsections v_MapSectionEfficiency[MapSections] Mapsection efficiencies

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Equivalent HYSYS Model: Column - Trayed Section/Condensor/Reboiler Introduction and Usage of the Model(s) HYSYS™ supports several prebuilt column configurations. The basic column templates are Absorber, Liquid-Liquid Extractor, Reboiled Absorber, Refluxed Absorber, Distillation and Three Phase Distillation. These templates are subflowsheets (collections of units) that contain different combinations of Tray Section, Condenser and Reboiler units. For example, the Absorber contains only the Tray Section while the Distillation column contains a reboiler and condenser in addition to the Tray Section. Please refer to the Hysys Reference Manual for more details on the Column model. Besides the Tray Section, Condenser and Reboiler, the column subflowsheet can contain other units such as Heater, Cooler, Separator, Pump, Valve, etc. The units in the column subflowsheet are mapped as separate units. Parameters This section lists the HYSYS™ parameters that are accessed by the translator for the Column specific models. The UOM for the parameters are based on the HYSYS™ internal units. Since the column is a special type of subflowsheet, some of the data on the column (like TrayPresssures, TrayNetLiquidRates, TrayNetVaporRates, Column Specifications, PumpArounds, etc) is saved in column subflowsheet objects such as as AbsorberObject, DistillationObject, etc. We refer to these column subflowsheet objects as ColumnSubFS objects. These ColumnSubFS objects are different from the regular subflowsheet objects, which serve as a container for the objects within. ColumnSubFS Parameters ColumnSubFS Parameter UOM Description ~OrigClassName Original classname -

AbsorberObject, DistillationObject, etc.

~SubFlowSheetName Name of the corresponding regular subflowsheet object

TopDownFlag ALIAS ColumnTopBtmPressure.ColumnStageNumbering

Flag for naming of stages (1 is TopDown, 0 is BottomUp)

ColTopPress ALIAS ColumnTopBtmPressure.ColumnTopPressure

kPa Pressure of first stage

ColBtmPress ALIAS ColumnTopBtmPressure.ColumnBtmPressure

kPa Pressure of last stage

ColTopPressStatus ALIAS ColumnTopBtmPressure.ColumnTopPressure.Status

Top pressure specification flag

ColBtmPressStatus ALIAS ColumnTopBtmPressure.ColumnBtmPressure.Status

Bottom pressure specification flag

TrayPressures ALIAS ColumnInfo.StagePressure.x_StgPressureInfo. StagePressureValue.Value

kPa Stage pressures (includes all stages - tray section, condenser, reboiler stages, etc.)

TrayPressStageNumbers ALIAS Stage pressure stage numbers

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ColumnSubFS Parameter UOM Description ColumnInfo.StagePressure.x_StgPressureInfo.StageNumber TrayPressStageNames ALIAS ColumnInfo.StagePressure.x_StgPressureInfo.StageIndex

Stage pressure stage names

TrayPressStatus ALIAS ColumnInfo.StagePressure.x_StgPressureInfo. StagePressureValue.Status

Stage pressure specification status

TrayTemperatures ALIAS OptionalEstimation.x_EstimationSet. OptionalTemperatureEstimate

K Stage temperatures

TrayNetVapRates ALIAS OptionalEstimation.x_EstimationSet. OptionalNetVapoutEstimate

kg-mol/sec

Stage net vapor rates

TrayNetLiqRates ALIAS OptionalEstimation.x_EstimationSet. OptionalNetLiquidEstimate

kg-mol/sec

Stage net liquid rates

TrayLiqComposition ALIAS CompositionEstimatesLiqData. x_StageLiquidCompositionEstimatesInfo.x_CompositionEstimatesLiq. ComponentLiqEstimate

fraction Stage liquid composition

TrayVapComposition ALIAS CompositionEstimatesVapData. x_StageVapourCompositionEstimatesInfo. x_CompositionEstimatesVap.ComponentVapEstimate

fraction Stage vapor composition

FeedInternalStreams ALIAS ConnectionInfo.FeedStreams.x_FeedStreamSet.InternalStream.TaggedName

Internal feed streams to subflowsheet

FeedExternalStreams ALIAS ConnectionInfo.FeedStreams.x_FeedStreamSet.ExternalStream.TaggedName

External feed streams to subflowsheet

ProdInternalStreams ALIAS ConnectionInfo.ProductStreams.x_ProductStreamSet.InternalStream.TaggedName

Internal product streams from subflowsheet

ProdExternalStreams ALIAS ConnectionInfo.ProductStreams.x_ProductStreamSet.ExternalStream.TaggedName

External product streams from subflowsheet

FeedTransferBasis ALIAS ConnectionInfo.FeedStreams.x_FeedStreamSet.TransferBasis

Transfer basis between internal and external feeds

ProdTransferBasis ALIAS ConnectionInfo.ProductStreams.x_ProductStreamSet.TransferBasis

Transfer basis between internal and external products

SpecNames ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecName

Specification names

SpecObjTypes ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecObjectType

Specification object class names

SIM4ME 20


ColumnSubFS Parameter UOM Description SpecTypes ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.SpecType

Specification types

SpecDraws ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.Draw.TaggedName

Specification draws

SpecStreams ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.Stream.TaggedName

Specification streams

SpecFirstStreams ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.FirstStream.TaggedName

Specification first streams

SpecSecondStreams ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.SecondStream.TaggedName

Specification second streams

SpecValues ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.SpecValue

Specification values

SpecWtTol ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.SpecWeightedTolerance

fraction Specification weighted tolerance

SpecAbsTol ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.SpecAbsoluteTolerance

Specification absolute tolerance

SpecLowValues ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.SpecRangeLowValue.Value

Specification lower bound values

SpecUpValues ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.SpecRangeUpperValue.Value

Specification upper bound values

SpecPhase ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.Phase.Value

Specification phases

SpecBasis ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.Basis

Specification basis (mass, molar, volume)

SpecDryBasis ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.DryFlowBasis

Specification dry or wet basis

SpecStatus ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.SpecActiveStatus.Value

Specification status (active or inactive)

SpecStages ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.Stage.TaggedName

Specification status

SpecTargetType ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.TargetType.Value

Specification target (stage or stream)

SpecHSComps ALIAS Specification Hysys components

SIM4ME 21


ColumnSubFS Parameter UOM Description ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.x_Component.TaggedName SpecMTComps Specification SIM4ME thermo

components SpecCompsSpecNum Specification number corresponding

to specification component SpecEnergyStreams ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.EnergyStream_Numerator.TaggedName

Specification energy streams

SpecPANames ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.PumpAroundName

Specification Pump around names

SpecHXNames ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.Heater_CoolerOp.TaggedName

Specification Heat Exchanger names

SpecCutPoint ALIAS ColumnInfo.SpecsSummary.x_ColumnSpec.SpecsValue.CutPointA.Value

percent Specification cut points

PANames ALIAS ColumnInfo.x_UserPumpAround.Name

Pump around names

PAFromStages ALIAS ColumnInfo.x_UserPumpAround.FromStage.TaggedName

Pump around start stage

PAToStages ALIAS ColumnInfo.x_UserPumpAround.ToStage.TaggedName

Pump around return stage

VBPNames ALIAS ColumnInfo.x_VapourByPass.Name

Vapor bypass name

VBPFromStages ALIAS ColumnInfo.x_VapourByPass.FromStage.TaggedName

Vapor bypass start stage

VBPToStages ALIAS ColumnInfo.x_VapourByPass.ToStage.TaggedName

Vapor bypass return stage

SolverType ALIAS ColumnInfo.SolverOptions.SolverType.Value

Solver Type

TwoLiquidCheck ALIAS ColumnInfo.SolverOptions.TwoLiquidCheck

Two liquid check option

Tray Section Parameters TrayedSection Parameter UOM Description ColumnSubFSObject Name of the corresponding

ColumnSubFS object FluidPkg ALIAS FluidPackage.FluidPackage Fluid package NumberOfStages Number of stages/trays in the

tray section TopFeed ALIAS TopFeed.TaggedName Top feed BottomVapourFeed ALIAS BottomVapourFeed.TaggedName

Bottom vapor feed

BottomsLiquidProd ALIAS Bottom liquid product

SIM4ME 22


TrayedSection Parameter UOM Description BottomsLiquidProd.TaggedName TopVapourProd ALIAS TopVapourProd.TaggedName Top vapor product FeedStreams ALIAS OptionalFeeds.x_OptionalFeedStream.Stream.TaggedName

Optional feed streams

FeedStages ALIAS OptionalFeeds.x_OptionalFeedStream.StageNumber

Optional feed stream stages

LiquidDraws ALIAS LiquidDraws.x_LiquidDraw.Stream.TaggedName

Liquid side draws

LiquidDrawStages ALIAS LiquidDraws.x_LiquidDraw.StageNumber

Liquid side draw stages

VapourDraws ALIAS VapourDraws.x_VapourDraw.Stream.TaggedName

Vapor side draws

VapourDrawStages ALIAS VapourDraws.x_VapourDraw.StageNumber

Vapor side draw stages

WaterDraws ALIAS WaterDraws.x_WaterDraw.Stream.TaggedName

Liquid2/Water side draws

WaterDrawStages ALIAS WaterDraws.x_WaterDraw.StageNumber

Liquid2/Water side draw stages

TrayEfficiencies ALIAS StageDataSets.x_StageData.TrayEfficiencyValue

fraction Tray efficiencies

TrayEffiStageNumbers ALIAS StageDataSets.x_StageData.Number

Tray efficiency stage numbers

TrayEffiStageNames ALIAS StageDataSets.x_StageData.StageIndex

Tray efficiency stage names

CompEfficiencies ALIAS StageDataSets.x_StageData.x_SingleComponentEfficiency. ComponentEfficiencyValue.Value

fraction Component efficiencies

TopDownFlag Flag for naming of stages (1 is TopDown, 0 is BottomUp)

StageNumbers Stage numbers of the stages/trays in the tray section

StageNames Names of the stages/trays in the tray section

TrayPressures kPa Tray pressures for the trays in the tray section

TrayTemperature K Tray temperatures TrayNetVapRates kg-

mol/sec Tray net vapor rates

TrayNetLiqRates kg-mol/sec

Tray net liquid rates

TrayLiqComposition fraction Tray liquid composition TrayVapComposition fraction Tray vapor composition SolverType Solver type

SIM4ME 23


Tray Rating / Sizing Parameters TrayedSection Parameter UOM Description TraySectionName Tray Section Name PercentLiquidDraw Percent Percent Liquid Draw SieveTrayFloodingMethod Sieve Tray Flooding Method SectionNumber Section Number SectionName Section Name StartTray Section Start Tray EndTray Section End Tray InternalType Section Internal Type: Tray/Packed CalculationMode Tray Rating/ Sizing Mode NumberOfFlowPaths Number Of Flow Paths TraySpacing m Tray Spacing TrayThickness m Tray Thickness SectionDiaSpec m Section Diameter FoamingFactor Foaming Factor MaxDPHeightOfLiquid m Max DP Height Of Liquid MaximumFlooding Maximum Flooding Specified SieveHolePitch Sieve Hole Pitch SieveHoleDiameter m Sieve Hole Diameter DowncomerType Downcomer Type DowncomerClearance m Downcomer Clearance SDowncomerTopWidth m Side Downcomer Top Width SDowncomerBottomWidth m Side Downcomer Bottom Width CDowncomerTopWidth m Centre Downcomer Top Width CDowncomerBottomWidth m Centre Downcomer Bottom Width OCDowncomerTopWidth m Off Centre Downcomer Top Width OCDowncomerBottomWidth m Off Centre Downcomer Bottom Width OSDowncomerTopWidth m Off Side Downcomer Top Width OSDowncomerBottomWidth m Off Side Downcomer Bottom Width SectionDiameterResults m Section Diameter CrossSectionalArea m2 Cross Sectional Area SectionHeight m Section Height SectionDeltaP KPa Section Delta P MaximumDeltaPPerLength KPa/m Maximum Delta P Per Length FlowWidth m Flow Width ActiveArea Active Area Percent DowncomerArea m2 Downcomer Area TotalWeirLength m Total Weir Length SideWeirLength m Side Weir Length TrayPressDrop KPa Tray Press Drop TrayName Tray Name HETP HETP HETPCorrelation HETP Correlation

SIM4ME 24


Condenser Parameters Column Parameter UOM Description

FeedStreams ALIAS FeedStream.x_Stream.TaggedName Feed Steam to Condenser VapourProduct ALIAS VapourProduct.TaggedName Vapor Product Stream

LiquidProduct ALIAS LiquidProduct.TaggedName Liquid Product Stream

EnergyStream ALIAS EnergyStream.TaggedName Duty stream to Condenser

RefluxStream ALIAS RefluxStream.TaggedName Condenser to Column Reflux Stream

HeavyLiquidProduct ALIAS HeavyLiquidProduct.TaggedName

Heavy (L2) Product Stream for 3 Phase Condenser

DeltaP KPa Condenser DP Reboiler Parameters Column Parameter UOM Description

FeedStreams ALIAS FeedStream.x_Stream.TaggedName Feed Steam to Condenser VapourProduct ALIAS VapourProduct.TaggedName Vapor Product Stream

LiquidProduct ALIAS LiquidProduct.TaggedName Liquid Product Stream

EnergyStream ALIAS EnergyStream.TaggedName Duty stream to Condenser

DeltaP KPa Reboiler DP Common Data Base Structure Units of Measure The UOM for the parameters are based on the P2Internal UOM Slate. Parameters This section lists the Column parameters in the TL layer. Column Parameter UOM Description

NumOfTrays none Number of trays in the column FeedStreams none F eed stream IDs ProdStreams none P roduct stream IDs FeedTrayLocs none F eed tray numbers ProdTrayLocs none Product tray numbers ProdType none P roduct types DrawType none D raw types (Total or fixed)

SIM4ME 25


Column Parameter UOM Description TrayTemperatures K Tray temperatures VapTrayTemps K Tray vapor temperatures TrayPressures kPa Tray pressures TrayNetVapRates kg-mol/sec Tray net vapor rates TrayNetLiqRates kg-mol/sec Tray net liquid rates TrayNetLiq1Rates kg-mol/sec Tray net liquid1 rates TrayNetLiq2Rates kg-mol/sec Tray net liquid2 rates TrayTotalVaporRates kg-mol/sec Tray total vapor rates TrayTotalLiqRates kg-mol/sec Tray net liquid rates TrayVaporMolarEnth kJ/ kg-mol Tray vapor molar enthalpy TrayLiquidMolarEnth kJ/ kg-mol Tray liquid molar enthalpy TrayVaporMoleFracs fraction Tray vapor compositions TrayLiquidMoleFracs fraction Tray liquid compositions TrayLiquid1MoleFracs fraction Tray liquid1 compositions TrayLiquid2MoleFracs fraction Tray liquid2 compositions TrayNumOfLiqPhases Number of liquid phases in tray TrayVaporMW Mole Weight Tray vapor molecular weights TrayVaporDensity kg/m3 Tray vapor densities TrayLiquidMW Mole Weight Tray liquid molecular weights TrayLiquidDensity kg/m3 Tray liquid densities TrayVleKValues none Tray VLE K values TrayThermoMethod none Tray thermo methods COMPSLATE none Component slate InternalPhases none Phases for internal flash CalcType none Calculation type (rating or sizing) TrayType none Tray type NumberOfPasses none Tray number of passes NumberOfValvesOrCaps none Tray number of valves or caps ValveCapOrSieveDia m Tray valve, cap or sieve diameter PctSieveHoleArea percent ray sieve hole area T DownComerSide m Tray side down-comer width DownComerCenter m Tray center down-comer width DownComerOffCenter m Tray off-Center down-comer width DownComerOffSide m Tray off-Side down-comer width TrayEfficiencyFlag none Tray efficiency method TrayEfficiencyFactor none Efficiency factor for tray efficiencies TrayEfficiency none Tray efficiencies

DownComerOrient none

Tray down-comer orientation (whether tray has side, center or off-center down-comer -used if only if passes is 2 or 4)

TrayDiameter m Tray diameter TraySpacing m Tray spacing TrayWeirHeight m Tray weir height SideHeaterTrayLoc none Side heater tray location SideHeaterDuties kJ Side heater duties HeatLeak kJ Heat leaks ReboilerType none Type of reboiler

SIM4ME 26


Column Parameter UOM Description ReboilerDuty kJ Reboiler duty

ToReboilerStream none Stream to reboiler exchanger (used only for thermo-siphon reboiler)

FromReboilerStream none Stream from reboiler exchanger (used only for thermo-siphon reboiler)

BottomProdStreams none Bottom sump product streams (used only for thermo-siphon with baffle)

BottomPressure kPa Bottom sump pressure (used only for thermo-siphon with baffle)

BottomTemperature K Bottom sump temperature (used only for thermo-siphon with baffle)

BottomMW Mole Weight Bottom sump liquid molecular weight (used only for thermo-siphon with baffle)

BottomMolarDensity kg-mol/m3Bottom sump liquid molar density (used only for thermo-siphon with baffle)

BottomSpecificEnthalpy kJ/kg-mol Bottom sump liquid enthalpy (used only for thermo-siphon with baffle)

BottomCompMoleFraction fraction Bottom sump liquid composition (used only for thermo-siphon with baffle)

BottomToRebMolarFlow kg-mol/sec

Overflow rate from bottom sump to reboiler sump (used only for thermo-siphon with baffle)

CondenserType none Type of condenser CondenserDuty kJ Condenser duty FreeDraws none Draws that can be freed SolverType none Solver type PRO/II–Dynsim mapping This section explains the details of the PRO/II to Dynsim mapping via the TL layer. In PRO/II the Column model may be used to simulate the combination of column and periphery equipment such as condensers, reboilers and pump-arounds as a single model. In reality, these would be separate equipment. During the mapping to Dynsim, the PRO/II Column unit may be mapped into multiple units as the situation demands. Number of stages/trays In PRO/II, the condenser and reboiler are simulated by adding stages in addition to the actual number of trays/stages in the column. The number of stages in the PRO/II column unit is a sum of the column, condenser (one stage) and reboiler (kettle – one, thermo-siphon – two) stages. The column in the TL and DS layers may have a different number of trays/stages because of this. In addition, the Dynsim tower model has an internal sump for all translated configurations except where the PRO/II Column has a thermo-siphon reboiler. The internal sump in Dynsim tower model itself acts as an equilibrium stage. For example, if the PRO/II column has a condenser and a thermo-siphon reboiler, the tower in Dynsim will have three stages lesser than the PRO/II column.

SIM4ME 27


Thermodynamic Methods In PRO/II the user may specify thermodynamic methods for individual trays (for some or all of them) or use the same method for all the trays. The TL layer supports methods for each tray. If a tray doesn’t have a method specified, the translator will use the method from the next tray that has a method specified or will use the default method slate. Dynsim does not support stage-by-stage method slates. Therefore, the method slate of the first tray in the TL layer will be used as the method slate of the Dynsim tower. The method slates of the periphery units (such as pumps, drums, etc) that are added during the mapping will be set based on that of the PRO/II stage that they are attached to. Phases By default, the “internalphases” is “VLE”. If in PRO/II the user chooses “VLLE”, “LLE” or check for “VLLE” option, “VLLE” will be used. “VLW” will be translated as “FREE_WATER”. Feed Streams PRO/II supports the flashing of a feed and feeding the vapor and liquid to the tray above and the feed tray, respectively. This option is not yet available in Dynsim. Therefore, both the vapor and liquid portions of the feed will be fed to the feed stage. The feeds will be connected at the bottom of the stage in Dynsim. PRO/II supports feeds to the condenser (first) and reboiler (last) stages. The translator will shift such feeds to the stage below and above, respectively.

Product Draws Three types of products are supported in the TL Column: Vapor, Liquid1 and Liquid2. The different types of draws in PRO/II such as vapor draw, liquid draw, overhead vapor draw, bottoms, etc., would be mapped into Vapor, Liquid1 or Liquid2 based on their phase. Vapor draws and overhead vapors will be translated as vapor products. Liquid draws, overhead liquids, bottoms, liquid1 total draws, liquid1 part draws, liquid1overhead products will be translated as Liquid1 products. Water decants, liquid2 total draws, liquid2 part draws and liquid2 overhead products will be translated as Liquid2 products. In Dynsim, vapor or liquid is drawn by connecting the product stream at appropriate heights from the tray,. The vapor product streams will be connected at a height equal to the tray spacing. Liquid1 products are typically attached at the bottom of the tray. If the “TL internalphases” is set to “VLLE” or “FREE_WATER” (which implies a second liquid phase is possible though Dynsim column doesn’t support it currently), the liquid1 products will be attached at a height equal to the weir height. Liquid2 products will be attached at the bottom of the tray. Tray Hydraulics If the user has performed tray sizing/rating calculations in PRO/II the tray hydraulics information will be translated. If the user has chosen the option of performing these calculations only at the time of report generation, the user should run the PRO/II simulation and generate the report

SIM4ME 28


before translating it. In PRO/II the user has the option of performing tray sizing/rating for all the trays or for only some of the trays. In such cases, for those trays for which no sizing/rating calculations were performed, the translator will use the values from the next or previous tray that has mechanical details. PRO/II supports different types of trays (Valve, Sieve, Cap) and tray configurations (flow paths, down-comer widths, etc). Though the Dynsim tray does not support exactly the same specifications, the translator calculates the Dynsim specifications from the PRO/II tray data.

In Dynsim, the stage data will be set section wise. Tray diameter (DIA), tray spacing (SPACING) and weir height (WEIRHEIGHT) will be mapped as is from PRO/II. Number of passes (PASSES) is set to OTHER. The down-comer area fraction (DOWNCOMERAREAFRAC), weir length fraction (WEIRLENGTHFRAC) and hole area fraction (HOLEAREAFRAC) are calculated from the PRO/II tray data based on the type of tray, number of passes, down-comer widths, etc. Default-values of 0.7, 1.0 and 1.0 are used for the aeration factor, liquid recycle tuning constant, and tray factor, respectively. The weep vapor flow is set to 40% of the tray vapor flow rate. The flow conductance scale factor (KJSCALEFACTOR) is calculated using the vapor flow rate from the tray below, pressure drop across the tray, hole area fraction, etc. If no mechanical details are available for any of the trays from the PRO/II simulation, i.e., if no tray sizing/rating calculations were performed, the translator will calculate the tower diameter. For other parameters, translator uses the following values: Dynsim tray parameter Value SPACING 0.6096 m WEIRHEIGHT 0.0508 m AERATIONFACTOR 0.7 DOWNCOMERAREAFRAC 0.1 WEIRLENGTHFRAC 0.7 HOLEAREAFRAC 0.12 KJ 1.0

The metal mass (MM) of the column is estimated based on the tower diameter, tower height, metal density of 7760 kg/m3 (steel) and a thickness of 0.125”. A minimum value of 5000 kg will be used. Information such as construction material, wall thickness, system-loading-factor and deck thickness will not be translated. Sloped down-comers are not supported in Dynsim. Therefore, bottom widths of sloped down-comers will not be translated. Packing Packing details, if any, will not be translated. Reboiler PRO/II supports three types of reboiler calculations: Kettle, Thermo-siphon with no baffle and Thermo-siphon with baffle. In PRO/II the user simulates these by adding one, two and two additional stages respectively.

SIM4ME 29


Kettle Reboiler In Dynsim, the number of stages will not be affected by the presence of the kettle reboiler. The kettle reboiler will be simulated using the tower internal sump and a utility exchanger. Thermo-siphon Reboiler Since the thermo-siphon is simulated in PRO/II by two additional stages, the tower in Dynsim will have at least two stages less. The two stages will be simulated in Dynsim using a separator (sump) and a utility-exchanger (reboiler). In PRO/II, the product from the reboiler stage is flashed and the liquid sent to the sump and the vapor to the bottom tray. This is simulated in Dynsim, by feeding the reboiler product to the separator and controlling the recycle tuning constants (KVRECYCLE and KLRECYCLE). The user should adjust these appropriately. With No Baffle A vertical separator with no weir is used since only one sump is needed. With Baffle A vertical separator with weir is used since two sumps (bottom sump and reboiler sump) are needed. The left side of the separator is the bottom sump while the right side is the reboiler sump. Condenser In PRO/II, the user simulates a condenser by adding one additional stage. Therefore, the tower in Dynsim will have at least one tray less. The condenser will be simulated by adding additional equipment such as utility-exchanger, drum and pump. The condenser duty is accounted for in the utility-exchanger.

SIM4ME 30


Pump-arounds PRO/II supports both liquid and vapor pump-arounds. Only liquid pump-arounds will be supported. The picture below shows how a pump-around will be translated into Dynsim. A pump is typically inserted into the flow sheet. If the duty for the pump-around is greater than 1.0E-3 KJ then a utility-exchanger is also inserted.

Side Heaters The side heater duty is translated to Utility Exchanger in Dynsim. Heat leaks specified for a tray in PRO/II are translated to QIMP for each stage in Dynsim. In PRO/II even if the user provides heat leaks for only a few trays, PRO/II automatically fills in heat leak for the other trays. The translator uses these ‘calculated’ heat leaks. Since the heat-loss is accounted for in QIMP, the loss heat transfer coefficient (UL) is set to zero. The QIMP is a constant; it will not change with the column conditions. Tray Efficiencies PRO/II supports three types of tray efficiencies: Murphee, Equilibrium and Vaporization. Only Murphee efficiency will be translated to Dynsim. By default, the tray efficiency is one in Dynsim. The tray efficiency in Dynsim is based on bypassing a part of the vapor feed around the feed and is not same as the Murphee efficiency in PRO/II. The translator will calculate and set in Dynsim the tray efficiency that simulates the same effect as the Murphee efficiency specified in PRO/II. PRO/II supports Murphee efficiencies greater than 1. In such cases, an efficiency of one will be used.

1,*,

1,,,

+

+

−

−=

nini

niniMni yy

yyE

SIM4ME 31


Mni

nininini E

yyyy

,

1,,1,

*,

++

−+=

*,1,

*,,

1,

,1TRAYEFFnini

nini

nv

nv

yyyy

FF

−

−×−=

++

PRO/II also supports component tray efficiencies. The translator does not support these. Reactions Translation of reactions is not supported in this release. Pseudo Products PRO/II column supports pseudo streams that have no effect on the column material or energy

e effectively references to the tray conditions. It is possible that the user has ttached other process units downstream of the pseudo streams.

simulated by inserting sources, which are initialized based on the tray/pseudo stream conditions. The stream would no longer be attached to the tower in Dynsim (as that would impact the material/energy balance of the column) but to the newly inserted source. Flash Zones The flash zone trays are translated as if they were regular trays with side heaters. User should check/reconfigure column as appropriate.

balance. They ara During translation, the pseudo streams are

SIM4ME 32


Compressor This document describes the scope and various scenarios of the PRO/II Compressor translation. Base PRO/II Model Introduction and Usage of the Model The compressor unit simulates a single stage isentropic compression. An optional after-cooler is attached to the outlet stream to cool the products to the desired temperature. Calculation Method The operating specifications for a compressor unit include one of the pressure, work or head specifications, and the compressor efficiency or outlet temperature. A specific value can be entered for these parameters or a performance curve can be supplied. PRO/II performs compressor calculations by simulating the Mollier diagram. The point corresponding to the inlet condition is determined by calculating the enthalpy and entropy at the inlet pressure and temperature. A constant entropy path is then followed until the outlet pressure is reached. The adiabatic work is determined by the enthalpy difference between the initial and final conditions. If the adiabatic efficiency is not 100%, the actual enthalpy change is computed by dividing the adiabatic enthalpy change with the adiabatic efficiency. PRO/II also calculates other parameters including the isentropic and polytrophic coefficients, polytrophic efficiency, and polytrophic work, using one of the two Compressor Calculation Methods. The default calculation method is the ASME Power Test Code 10 method, which can be changed to the GPSA Engineering Data Book method if desired. If the polytrophic efficiency is supplied, the adiabatic efficiency is back calculated using these methods to determine the actual work. The compressor unit supports both VLE and VLLE methods to determine the individual phase compositions. See VLE Model and VLLE Model for more details. Feed and Product Streams The compressor unit can have any number of feed streams. The inlet pressure is taken to be the lowest pressure of all the feed streams. The compressor unit can have up to four product streams with different phases in each stream. The possible product phases are vapor, liquid, decanted water / second liquid phase, a mixture of vapor and liquid, and solids. If there are multiple product streams leaving the compressor unit, the phase condition for each stream must be specified.

SIM4ME 33


Parameters Parameter UOM Description AcDutyCalc kJ/sec Duty of the after cooler. This value is only available when after

cooler is configured in the compressor AcPressDropCalc kPa Pressure drop across the after cooler. This value is only

available when after cooler is configured in the compressor AcTempCalc K Exit temperature of the after cooler. This value is calculated

only when after cooler is attached to the Compressor ActVolVapFlow Vapor volumetric flow rate AdiabaticHead m Adiabatic head. CompressFactIn Compressibility factor at inlet CompressFactOut Compressibility factor at outlet EffAdiaCalc percent Adiabatic efficiency EffCalc Compressor isentropic efficiency EffCurveLength Size of the efficiency curve vector EffExpoCalc Exponential factor for efficiency. This value is used in

efficiency fan law EffPolyCalc percent Polytropic effeciency FlowInletCalc m3/sec Calculated inlet flow is the net inlet flow. HeadCalc m Calculated value of the head across the Compressor. HeadExpoCalc Exponential factor for head. This value is used in head fan law. IsenCoeffCalc Isentropic coefficient PerCurveLength Size of the performance curve vector PolyCoeffCalc Polytropic coefficient PolytropicHead m Polytropic head PressCalc kPa Compressor inlet pressure. PressDropCalc kPa Pressure rise across the compressor. PressOutCalc kPa Compressor outlet pressure. PressRatioCalc Ratio of outlet pressure to the inlet pressure. Should always be

greater than 1. PressRatioSwitch Limiting value of Pressure ratio. Below this value, temperature

equation is used to calculate polytropic/isentropic coefficient. Above this value Head equation will be used

RefRPMCalc rpm Reference speed of the compressor RPMCalc rpm Actual speed of the compressor TempCalc K This is the temperature of the pump product streams and should

be identical in value to that of the MergedProduct stream. PRO/II uses this variable to make the product stream temperatures available to other units through the spec/vary/define subsystem. The value is set during the PRO/II flow sheet solve

WorkActualCalc kJ Actual isentropic work

SIM4ME 34


Parameter UOM Description WorkAdiaCalc kJ Actual adiabatic work WorkCalc KW Power required to run the compressor WorkPolyCalc kJ Polytropic work WorkTheoCalc kJ Theoretical work. PerCurveFlowRates Vector containing the flow values of the performance curve

PerCurveValues Vector containing the head values of the performance curve

ProductStoreData

AfterCoolerFlag Flag to indicate whether after cooler is attached to compressor or not 1 - After cooler attached 0 - No after cooler

CalcMethodFlag Flag to indicate the method calculation method used 1 - GPSA 0 - ASME

CurrentFeeds The number of feed streams currently attached to the unit CurrentProducts The number of product streams currently attached to the unit EffCurveType Flag to indicate the type of efficiency curve

1 – Adiabatic 2 - Polytropic

EffFlag Flag to indicate efficiency selected 1 – Adiabatic 2 - Polytropic

MultEffCurveFlag Flag to indicate multiple curves 1 - Multiple curves 0 - No multiple cirves

PerCurveBasis Flag to indicate the work curve type 1 – Adiabatic 2 - Polytropic 3 - Actual

PerCurveType Flag to indicate the type of the curve 1 - Q vs Head 2 - Q vs Work 3 - Q vs P 4 - Q vs Pressure ratio

AcStrmId Stream ID of the internal after cooler product stream FeedAdiaStrmID Stream ID of the internal adiabatic feed stream. FeedIsenStrmId Stream ID of the internal isenthalpic feed stream MergedFeed The stream ID of the merged feed stream. This is an internal

feed stream that is used to set the Temperature, Pressure, enthalpy and composition of all feed streams

MethodData Method slate used in the Compressor. Default method slate is globally set in the thermo. It can also be set in individual unit

SIM4ME 35


Parameter UOM Description operations. Should be consistent across the flow sheet unless separated by Thermodynamic reset unit.

ProdAdiaStrmId Stream ID of the internal isenthalpic product stream FeedData A vector containing the IDs of all of the feed streams.

FeedData does not contain specific data such as the temperature, pressure, or composition of the individual streams, only the ID of the stream. In PRO/II the ID can be used to retrieve the stream data block which contains a complete description of the stream

ProductData A vector containing the IDs of all the product streams. See FeedData

Equivalent Dynsim Model / Models: Header – Compressor – Utility Exchanger – Drum Introduction and Usage of the Model The Compressor is a flow device that is used to model a centrifugal Compressor. The Compressor calculates the available head based on the pressure differential across it. The volumetric flow rate is interpolated from the user provided performance curve based on the calculated head. Power is calculated from the user provided efficiency curve. Reverse flow through a Compressor is allowed. The Compressor performance is characterized by a Cubic-spline or Linear curve fit and may be specified by either entering three or more points from the manufacturer characteristic curve (head vs. volumetric flow) or entering one design point (head and volumetric flow). The parameters DHScale and QScale are used to scale the compressor performance. The fan laws scale the compressor curve with speed. The curve is also modified with change in inlet guide vane position. The Compressor calculates the shaft work, fluid flow, and fluid enthalpy rise. The speed is calculated from a shaft or motor and transferred to the compressor by a mechanical stream. The Compressor sets the power required in the mechanical stream. Alternatively, speed can be fixed. Header is used for mixing up all streams and sending a single merged feed to Flow Device. Drum is used for the phase separation and streams are connected to various ports based on the product phase specifications. Utility Exchanger is used for Inter cooling.

SIM4ME 36


Parameters Static Parameters to Database Parameter UOM Description

DHSCALE m Head across Compressor

ETASCALE fraction Efficiency QSCALE m3/sec Volumetric Flow SPEED rpm Compressor Speed. Default value can be used.

Parameters to States.dat Parameter UOM Description DH m Head ETA fraction Efficiency FLASH.H kJ/kg-mol Enthalpy FLASH.P KPa Pressure FLASH.T K Temperature FLASH.VF fraction Vapor Fraction FLASH.LF1 fraction Liquid Fraction 1 FLASH.LF2 fraction Liquid Fraction 2 FLASH.R kg-mol/m3 Molar Density FLASH.MW Molecular Weight FX kg-mol/sec Molar flow POWER KW Power Q m3/sec Volumetric flow SPEED rpm Compressor speed FLASH.Z [0]...FLASH.Z [i] fraction Composition

Equivalent ROMeo Model: Mixer – Compressor – Flash - Heat Exchanger Introduction and Usage of the Model The Compressor unit models a single-stage isentropic compression with a single feed and a single product stream. The operating specifications for a Compressor unit include pressure, work or head specifications and the compressor efficiency. The user can supply a specific value for these parameters or a performance curve. An optional aftercooler can be connected to the outlet stream to cool the product stream to the desired temperature. Other parameters, including the isentropic and polytropic coefficients, polytropic efficiency and polytropic work are calculated using the ASME Power Test Code 10 compressor calculation method. The Compressor also supports GPSA Engineering Data Book method.

SIM4ME 37


When there is more than one feed stream attached to PRO/II compressor, Mixer is added. Mixer is used for mixing up all streams and sending a single merged feed to Compressor. When there is more than on outlet stream from PRO/II compressor, Flash is added. Flash is used for the phase separation and streams are connected to various ports based on the product phase specifications. Heat Exchanger is added when aftercooler is configured in Compressor. Parameter UOM Description ActualHead m Actual Head ActualWork kJ/sec Actual work BaseLineEff fraction Baseline Efficiency

CompressionRatioSwitch It is the value of IsenPresRatio at which the GPSA calculations should IsentropicCoef equations

CorrectedVolume m3/sec Used in case of fan laws only. CurrentEff fraction Current efficiency

EfficiencyVar fraction Always points towards the current selected efficiency variable

EffOffsetFromBaseline fraction Difference between current efficiency and base line efficiency

FanE Head coefficient FanH Efficiency coefficient FanW Work coefficient. Default is 3. IsenC (ns -1)/ns ns –isentropic coefficient IsentropicCoef fraction Isentropic coefficient IsentropicEff fraction Isentropic efficiency IsentropicHead m Isentropic Head IsentropicWork kJ/sec Isentropic work PolyC (n -1)/n n–polytropic coefficient PolytropicCoef fraction Polytropic coefficient PolytropicEff fraction Polytropic efficiency PolytropicHead m Polytropic head PolytropicWork kJ/sec Polytropic work Pres kPa Compressor exit pressure PresRatio Frac Pressure ratio PresRise kPa Pressure rise

RefHead m Reference head. Based on the specification chosen, it takes the corresponding head value.

RefSpeed rpm Reference speed RefSpeedRatio fraction Ratio of actual speed to the reference speed Speed rpm Actual speed

SIM4ME 38



VolFlowPerRPM m3/sec-rpm Volumetric flow per rpm kJ/sec Polytropic work BladeAngle Compressor blade angle

UseFanLaws Flag to indicate whether Fan laws are used or not 0 – Do not use Fan laws 1 – Use Fan laws

CalcType Compressor calculation type. Allowable values are “ASME” and “GPSA.”

EfficiencySelection

Enumerator for selection of the efficiency. Allowable values are “Current_Efficiency”, “Baseline_Efficiency”, “Fixed”

EfficiencyType

Enumerator for selection of efficiency type. Allowable values are “Isentropic_Efficiency”, “Polytropic_Efficiency”

SpecType

Enumerator to select Compressor specification type. Allowable values are “OutletPressure”, “PressureRise”, “PressureRatio”, “Work”, “IsentropicWork”, “PolytropicWork”, “Head”, “IsentropicHead”, “PolytropicHead”, “FanWork”, “FanIsentropicWork”, “FanPolytropicWork”, “FanHead”, “FanIsentropicHead”, “FanPolytropicHead”

Note: For Isentropic Stream parameters, refer to Stream parameters. Equivalent HYSYS Model: Compressor Introduction and Usage of the Model HYSYS™ compressor is mapped to PRO/II compressor. The Compressor operation is used to increase pressure of an inlet gas stream with relatively high capacities and low compression ratios. Compressor calculates a stream property or the compression efficiency. Parameters Parameter/Variable Type Description AdiabaticEfficiency Float Adiabatic efficiency of Compressor EnergyStream ALIAS EnergyStream.TaggedName

String Heat Stream Connect to Compressor

HeadCurveData ALIAS CompExpCurveData.x_CompExpCurve.x_CurveDataPoint.Head

FloatArray Head Curve Data points

EfficiencyCurveData ALIAS CompExpCurveData.x_CompExpCurve.x_CurveDataPoint.Efficiency

FloatArray Efficiency Curve Data Points

SIM4ME 39


Parameter/Variable Type Description FeedStream ALIAS x_FeedStream.AttachmentName

StringArray Feed Streams

ProdStream ALIAS x_ProductStream.AttachmentName

StringArray Product Streams

FlowCurveData ALIAS CompExpCurveData.x_CompExpCurve.x_CurveDataPoint.Flow

FloatArray Flow Curve Data Points

SpeedData ALIAS CompExpCurveData.x_CompExpCurve.Speed

FloatArray Speed Curve Data Points

HeadUnits ALIAS CompExpCurveData.x_CompExpCurve.HeadUnits

StringArray Head Curve Units

FlowUnits ALIAS CompExpCurveData.x_CompExpCurve.FlowUnits

StringArray Flow Curve Units

EffType ALIAS CompExpCurveData.CompExpCurveEfficiencyType

Long Efficiency type

CurveFlag ALIAS CompExpCurveData.CompExpCurvesEnabled

Long Curve Enable flag

CurveDataPoint ALIAS CompExpCurveData.x_CompExpCurve.x_CurveDataPoint.Number

IntArray Data Points in each curve

Speed Float Operating Speed CurveActive StringArray Checks to See if Curve Specified is True or

False Common Data Base Structure – Compressor Parameters Parameters UOM Description

AcDutyCalc kJ/sec After cooler duty

AcPressDropCalc Pressure drop across after cooler

AcTempCalc After cooler outlet temperature

AdiabaticHead kJ/kg Adiabatic head

CompressFactIn Compressibility factor at inlet

CompressFactOut Compressibility factor at outlet

EffAdiaCalc percent Adiabatic efficiency

EffExpoCalc Efficiency exponent factor

Efficiency percent Actual Efficiency

EffPolyCalc percent Polytrophic efficiency

EffVapFlowIn

SIM4ME 40


Parameters UOM Description

Head kJ/kg Actual Head

HeadExpoCalc Head exponential factor

IsenCoeffCalc Isentropic coefficient

IsenCompressibility Isentropic stream compressibility

IsenLiquid2Fraction Isentropic stream water fraction

IsenLiquidFraction Isentropic stream liquid fraction

IsenMolarDensity Isentropic stream molar density

IsenMolarFlow Isentropic stream molar flow

IsenMW Isentropic stream molecular weight

IsenPressure Isentropic stream pressure

IsenSpecificEnthalpy Isentropic stream enthalpy

IsenSpecificEntropy Isentropic stream entropy

IsenTemperature Isentropic stream temperature

IsenVaporFraction Isentropic stream vapor fraction

PolyCoeffCalc Polytropic coefficient

PolytropicHead kJ/kg Polytropic head

Power kW Work

PressDropCalc kPa Pressure rise

PressOutCalc kPa Outlet pressure

PressRatioCalc Pressure ratio

PressRatioSwitch It is the value of IsenPresRatio at which the GPSA

calculations should IsentropicCoef equations Pressure kPa Inlet pressure

RefRPMCalc rpm Reference speed

Speed rpm Operating speed

Temperature K Exit temperature

VolFlow m3/sec Volumetric flow

WorkActualCalc kW Actual work

WorkAdiaCalc kW Adiabatic work

WorkPolyCalc kW Polytropic work

WorkTheoCalc kW Theoretical work

IsenCompMoleFraction

Isentropic stream mole fraction

PerCurveFlowRates

Performance curve flow rates

PerCurveValues

Performance curve head values

ProductStoreData

SIM4ME 41


Parameters UOM Description

AfterCoolerFlag After cooler flag 1- after cooler configured 0 – No after

cooler

CalcMethodFlag

Flag to indicate the method calculation method used 1 - GPSA 0 - ASME

EffCurveLength Size of efficiency curve vector

EffCurveType

Efficiency curve type 1 – Adiabatic 2 - Polytropic

EffFlag

Efficiency type flag 1 – Adiabatic 2 - Polytropic

MultEffCurveFlag

Flag to indicate multiple curves 1 - Multiple curves 0 - No multiple cirves

NumOfFeeds Number of feed stream

NumOfProds Number of product stream

PerCurveBasis

Flag to indicate the work curve type 1 – Adiabatic 2 - Polytropic 3 - Actual

PerCurveLength Size of the performance curve vector

PerCurveType

Flag to indicate the type of the curve 1 - Q vs Head 2 - Q vs Work 3 - Q vs P 4 - Q vs Pressure ratio

~DeltaPType Pressure drop type – Positive / Negative

~DeviceType Device type - Flow / Pressure

AcStrmId Aftercooler stream

COMPSLATE Component slate

FeedAdiaStrmID Feed adiabatic stream

FeedIsenStrmId Feed isentropic stream

MethodSlate Method slate

ProdAdiaStrmId Product adiabatic stream FeedStreams Feed streams

ProdStreams Product streams

SIM4ME 42


Compressor exit stream parameters, which are configured after the cooler is configured in PRO/II Compressor. These parameters are set to the stream connecting the compressor to the after cooler utility exchanger, which is feed to the aftercooler. Parameters UOM Description

BcLiquidFraction fraction liquid fraction

BcMolarDensity

kg-mol/m3 molar density

BcMolarFlow

kg-mol/sec molar flow

BcMW molecular weight

BcPressure kPa Pressure

BcSpecificEnthalpy kJ/kg-mol Specific enthalpy

BcSpecificEntropy Specific entropy

BcTemperature K Temperature

BcVaporFraction fraction Vapor fraction

BcWaterFraction fraction Water Fraction

BcCompMoleFraction fraction Mole fraction Calculation of Derived Parameter from PRO/II to TL Layer Head in meters is converted to kJ/kg using the following equation:

1000

9.81 (meter) Head (kJ/kg) Head ⋅=

Calculation of Derived Parameter from TL to DynSim Layer There is no derived parameter calculation for translation from TL to Dynsim layer mapping. Calculation of Derived Parameter from TL to ROMeo Layer Corrected volume When Fan Laws are used in Compressor, corrected volume is used.

. atio.L)(RefSpeedR

VolFlow olume.LCorrectedV FanEFeed=

ASME Factor ASME Factor is calculated when ASME method is used.

SIM4ME 43


1) - atio(PressureR VolFlow Pressure

IsenCWork Isentropic ASMEFactor

CoefIsentropic

1) - cCoef(Isentropi IsenC

IsenCFeedFeed ⋅⋅

⋅=

=

Polytropic Coefficient

CoefPolytropic

1.0) - cCoef(Polytropi PolyC

)

VolFlowVolFlow

Log(

reRatio)Log(Pressu CoefPolytropic

Prod

Feed

=

=

Efficiency Offset from Baseline

fBaselineEf -Var Efficiency eromBaselinEffOffsetF =

SIM4ME 44


Continuous Strirred Tank Reactor This topic describes the scope and various scenarios of the PRO/II and HYSYS™ Continuous Strirred Tank Reactor (CSTR) translation. ROMeo and Dynsim do not currently support CSTR reactors. Currently only the basic modes of operation are handled by the translation. Complex modes, such as catalyst data and overriding to the Reaction data section are currently not translated. Base PRO/II Model Introduction and Usage of the Model The CSTR module simulates a continuously fed, stirred tank reactor. It assumes that the stirring results in perfect mixing. The module may operate in adiabatic mode with or without heat duty specified, or in isothermal mode either at a specified temperature or at the feed temperature, or under constant volume for the boiling pot model. Normally, the reaction stoichiometry, heat of reaction data and reaction kinetics are taken from a reaction set in the Reaction Data Section. Parameters Reactor Operation Parameters Unit Class: [CSTR] Parameter UOM Description UnitName Unit Description CurrentFeeds Number of Feed streams CurrentProducts Number of Product streams CurrentPseudoProds MergedFeed Merged feed stream MergedProduct Merged product stream MethodData Thermo method set name ~COMPSLATE Component slate FeedData Names of feed streams ProductData Names of product streams PseudoProdData ProductStoreData Phases of product streams (V/L/M etc.) FeedHolderData ProductHolderData OperTypeCalc

Reactor operation mode 1 "User Specified Temperature" 2 "Adiabatic" 3 "Use Feed Temperature" 4 "Fixed Volume" (allowed only for boiling)

OperPhaseCalc Reactor Phase flag (Note "3" is not used) 1 "Vapor"

SIM4ME 45


Parameter UOM Description 2 "Liquid" 4 "Boiling Pot Reactor"

PressureFlag 1=PRESSURE; 2=DELTA P; 3=NEITHER NumReactions Number of reactions RxnBasisFlagCalc

Reaction rate equation basis 1 "Concentration" 2 "Partial Pressure" 3 "Fugacity" 4 "Activity"

KinTypeFlagCalc

Kinetic rate calc routine flag 1 "Power Law Equation" 2 "User Kinetic Subroutine" 3 "In-Line Procedure"

SpecCatTypeFlag

Type of fixed catalyst 1 "Mole Fraction" 2 "Weight Fraction" 3 "Mole Quantity" 4 "Weight Quantity"

BaseCompCalc Array of Base Component Numbers (index into component slate)

BaseCompIn Array of base component names RxnSetNumber Reaction set ID NumRxnComp Number of components in each reaction RxnID Array of reaction names CompID Component ID's that correspond to component

data input OutPressCalc kPa outlet pressure OutTempCalc K outlet temperature DutyCalc kJ/sec Reactor duty (adiabatic operation) VolumeCalc m3 Volume MaxVolumeCalc m3 Maximum volume MaxTempIn K Adiabatic Tmax MinTempIn K Adiabatic Tmin PressDropCalc kPa Pressure Drop DeriveSizeCalc Step size for numerical derivation TempTolerCalc K Absolute temperature tolerance CompTolerCalc Mole fraction Tolerance for component mole fraction EnthalpyTolerCalc kJ Absolute enthalpy tolerance VolumeEstimate m3 Volume estimate TempEstimate Temperature estimate Reaction Data Parameters Parameter UOM Description ActivEnergyIn Activation Energies PexpFactorIn Preexponential Factors RxnExponentIn Reaction exponent

SIM4ME 46


Parameter UOM Description PexpWtUOM Preexponential Factor WT UOM Qualifier PexpLiqvUOM Preexponential Factor LIQV UOM Qualifier PexpPresUOM Preexponential Factor PRES UOM Qualifier PexpTempUOM Preexponential Factor TEMP UOM Qualifier PexpTimeUOM Preexponential Factor TIME UOM Qualifier Catalyst Data Parameters Parameter UOM Description SpecCatIDIn ID vector for fixed catalysts NumSpecCat No. of catalyst with fixed charge MoleFracSpecCat Fixed catalyst mole fraction WtFracSpecCat Fixed catalyst wt fraction MoleSpecCat Fixed catalyst mole number WtSpecCat Fixed catalyst wt amount Equivalent HYSYS Models Parameters Unit Class: [KineticReactorOpObject] Parameter UOM Description FeedStreams ALIAS x_FeedStream.Stream.AttachmentName

Array of feed stream names

ReactionSet ALIAS ReactionSet.AttachmentName

Reaction set name

Energy ALIAS EnergyStream.AttachmentName

Energy stream name

VapourProd ALIAS VapourProduct.AttachmentName

Vapour product name

LiquidProd ALIAS LiquidProduct.AttachmentName

Liquid product name

IsIgnored DutyType VesselPressureSpec HeaterType DeltaP kPa Pressure drop Volume m3 Volume

SIM4ME 47


Dummy Parameters The following dummy parameters are included in the configuration file for convenience but are not filled in from the HYSYS XML file. STRINGARRAY: ProdStreams //Non-existent FLOAT: DeltaTemp //Non-existent - come through as RMISS FLOAT: Pressure //Non-existent - come through as RMISS FLOAT: ReactorDuty //Non-existent - come through as RMISS FLOAT: Temperature //Non-existent - come through as RMISS FLOAT: AdiaTmaxIn //Non-existent - come through as RMISS FLOAT: AdiaTminIn //Non-existent - come through as RMISS FLOAT: IsoDTFeed //Non-existent - come through as RMISS Common Data Base Structure Parameters Class Name: [CSTR] Parameter UOM Description NumComps Number of componentts NumOfFeeds Number of feed streams NumOfProds Number of product streams MethodSlate Thermo method set name COMPSLATE Component slate FeedStreams Array of feed stream names ProdStreams Array of product stream names ProductStoreData Product stream phases (V/L/M etc.) RxOperType Reactor operation mode

1 "User Specified Temperature" 2 "Adiabatic" 3 "Use Feed Temperature" 4 "Fixed Volume" (allowed only for boiling)

RxOperPhase

Reactor Phase flag (Note "3" is not used) 1 "Vapor" 2 "Liquid" 4 "Boiling Pot Reactor"

PressureFlag 1=PRESSURE; 2=DELTA P; 3=NEITHER NumberOfReactions Number of reactions CompBasisFlag 1=Concentration; 2=Partial Pressure; 3=Vapour

Fugacity; 4=Liquid RxnSetID Array of reaction names BaseCompNumbers Array of Base Component Numbers (index into

component slate) RxnID Array of reaction names OutPresCalc kPa Outlet pressure ReactorPresDropCalc kPa Pressure drop

SIM4ME 48


Parameter UOM Description OutTempCalc K Outlet temperature ReactorDutyCalc kJ/s Reactor Duty (adiabatic operation) VolumeCalc m3 Volume MaxVolumeCalc m3 Maximum volume AdiaTmaxIn K Max Temperature (adiabatic operation) AdiaTminIn K Min Temperature (adiabatic operation)

SIM4ME 49


Conversion Reactor This document describes the scope and various scenarios of the PRO/II to ROMeo Conversion Reactor translation and HYSYS ™ to PRO/II translation. Currently, Dynsim does not support conversion reactors. Base Pro II Model Introduction and Usage of the Model The Conversion Reactor simulates a chemical reactor by solving the heat and material balances based on supplied reaction stoichiometry and fractional conversion. There is no limit to the number of simultaneous reactions, which may be modeled. The fractional conversion of a specified base component is defined for each reaction. The corresponding changes in the amounts of the other components in the reaction are determined from the stoichiometry. The conversion of the base component may be expressed as a function of temperature by entering the coefficients for the equation:

Conversion = A + B.T + C.T2

The reaction stoichiometry and any heat of reaction data must be entered into a reaction set in the Reaction Data Sets Window before the reactor performance can be specified. These data cannot be defined or modified in the reactor unit. By default, the reactor operates at the feed temperature. Alternatively, user can specify: • Temperature Rise across the reactor • Isothermal operation at a Fixed Temperature • Reactor Fixed Duty Parameters Conversion Reactor Parameter UOM Description

CurrentFeeds The number of feed streams currently attached to the unit

CurrentProducts The number of product streams currently attached to the unit

MergedProduct

The stream ID of the merged product stream. This is an internal product stream that is used to set the Temperature, Pressure, enthalpy and composition of all product streams

FeedData

A vector containing the IDs of all of the feed streams. FeedData does not contain specific data such as the temperature, pressure, or composition of the individual streams, only the ID of the stream. In PRO/II the ID can be used to retrieve the stream data block which contains

SIM4ME 50


Conversion Reactor Parameter UOM Description

a complete description of the stream

ProductData A vector containing the IDs of all of the product streams. See FeedData

OutPresCalc KPa Reactor Outlet Pressure OutTempCalc K Reactor Outlet Temperature ReactorDutyCalc KJ/sec Reactor Duty ReactorPresDropCalc KPa Reactor Pressure Drop CalcConversions Conversion Calculation ConvCoeff Conversion Coefficients ( A, B and C) ConvCoeffB Conversion Coefficients B ConvCoeffC Conversion Coefficients C HeatsOfReaction KJ/Kg-mol Heat of Reaction StoiCoefIn Stoichiometric Coefficients of the reaction NumberOfReactions Number Of Reactions

PressureFlag Pressure Specification: 0. Outlet Pressure 1. Pressure Drop

RxType Reactor Type:

0. Default Conversion 1. Shift Reactor 2. Methanation Reactor 3. Calculator Reactor

ConvBasisFlag Conversion Basis Specification: 1. Feed 2. Reaction

HeatBalanceFlag Heat Balance Specification 0. Do heat balance 1. No heat balance

BaseCompID Base Component Name BaseCompNumbers Base Component Index Equivalent ROMeo Model Introduction and Usage of Model The Conversion Reactor simulates a chemical reactor by solving the heat and material balances based on supplied reaction stoichiometry and fractional conversion. The fractional conversion of a specified base component is defined for each reaction. The corresponding changes in the amounts of the other components in the reaction are determined from the stoichiometry. The conversion of the base component may be expressed as a function of temperature by entering the coefficients for the equation:

Conversion = A + B.T + C.T2

The user can specify the reaction stoichiometry, conversion coefficients, and the base component for the reaction. The base component must be a reactant in the reaction. ROMeo takes conversion basis as feed or reaction. The operating conditions of the reactor are specified by the following thermal and pressure specifications:

SIM4ME 51


• Outlet Temperature/Temperature Change across the reactor • Reactor Fixed Duty • Outlet Pressure/ Pressure Change across the reactor Parameters Reactor Parameter UOM Description v_v_DeltaTemp K Temperature Change across the reactor v_v_PresDrop KPa Pressure Drop across the reactor v_v_ProdPres KPa Product Pressure v_v_ProdTemp K Product Temperature v_v_Q kJ/sec Reactor Duty HReaction kJ/kg-mol Heat of Reaction Stoich Stoichiometry of reaction v_v_A Conversion Coefficient A v_v_B Conversion Coefficient B v_v_BaseMolarFlow Kgmol/sec Molar Flow of Base Component v_v_C Conversion Coefficient C v_v_Conversion Conversion Rates v_v_ReactionRate Kg-mol/sec Reaction Rate defined wrt base component v_v_RxnMolarFlow Kg-mol/sec Reaction Molar Flow NumAdditionalRxns Number of reaction to be added into the reactor ( Reactor

initializing parameter) NumRxns Num of reactions in the reactor BaseComponent Base Component of a reaction ConvBasis Conversion Basis of reactions Feed or Reaction PresType Pressure Specification Type User (Outlet Pressure) or Delta

(Pressure Drop Across Reactor) RtrType Thermal Specification Type: Temp ( Temperature

Specification), Duty ( Duty Specification) TempType Temperature Specification Type: User ( User Outlet

temperature), Feed (Same as feed temperature) or Delta (Temperature rise across reactor)

Equivalent HYSYS Model: Conversion Reactor Introduction and Usage of Model A HYSYS™ Conversion Reactor supports only reaction sets that contain conversion reactions. Each reaction in the set will proceed until the specified conversion is attained or until a reactant is exhausted. The product streams from a reactor can be: a Vapor, a Liquid stream, an aqueous phase or a mixed liquid phase. In case of multiple reactions, a reaction sequence can be specified. An overall conversion rate of 0% to 100% can be specified for a set of reactions. The specified rate is either a global value or a local value that applies to the current operation only.

SIM4ME 52


Parameters Reactor Parameter UOM Description FeedStreams ALIAS x_FeedStream.Stream.AttachmentName Feed stream names

VapourProd ALIAS VapourProduct.AttachmentName Vapour product stream name

LiquidProd ALIAS LiquidProduct.AttachmentName Liquid product stream name

Energy ALIAS EnergyStream.AttachmentName Energy stream

ReactionSet ALIAS ReactionSet.AttachmentName Reaction set name

ReactionName ALIAS x_ConReactionInfo.ReactionName Reaction names

IsIgnored DutyType VesselPressureSpec HeaterType DeltaP kPa Pressure drop C0 ALIAS x_ConReactionInfo.C0.SpecifiedValue

percent 1st Conversion coefficient

C1 ALIAS x_ConReactionInfo.C1.SpecifiedValue percent 2nd Conversion coefficient

C2 ALIAS x_ConReactionInfo.C2.SpecifiedValue percent 3rd Conversion coefficient

Common Data Base Structure Parameters Internal Units of Measure for the Common Data Base Structure is in SI units Reactor Parameter UOM Description NumOfFeeds Number of feed streams NumOfProds Number of product streams MergedProd Merged Product Streams FeedStreams Feed Streams ProdStreams Product Streams Temparature K Product Temperature Pressure KPA Product Pressure ConvCoeffA Conversion Coefficient A ConvCoeffB Conversion Coefficient B ConvCoeffC Conversion Coefficient C HeatsOfReaction KJ/Kg-mol Heat of Reaction BaseCompID Base Component BaseCompNumbers Base Component index

SIM4ME 53


Reactor Parameter UOM Description StoiCoeff Stoichiometric Coefficients NumberOfReactions Number Of Reactions Mapping ProII Reactor Parameters TL Parameter ROMeo Parameters HYSYS Parameters

CurrentFeeds NumOfFeeds FeedStreams.size

CurrentProducts NumOfProds Derived from VapourProd and LiquidProd

MergedProduct MergedProd FeedData FeedStreams FeedStreams FeedStreams

ProductData ProdStreams ProdStreams Derived from VapourProd and LiquidProd

OutTempCalc Temparature v_v_ProdTemp

If either the vapour or liquid product temperature is specified , it is used here

OutPresCalc Pressure v_v_ProdPres Pressure ConvCoeff ConvCoeffA v_v_A C0 ConvCoeffB ConvCoeffB v_v_B C1 ConvCoeffC ConvCoeffC v_v_C C2 HeatsOfReaction HeatsOfReaction HReaction BaseCompID BaseCompID BaseComponent BaseCompNumbers BaseCompNumbers StoiCoefIn StoiCoeff Stoich

NumberOfReactions NumberOfReactions NumRxns NumAdditionalRxns = 1

PressureFlag PressureFlag = 1 RxType RxType = 0 ConvBasisFlag ConvBasisFlag = 1

RxOperType RxOperType

If vapour or liquid product temperature is supplied set to 1, otherwise 2

ReactorPresDropCalc PressureDrop DeltaP NumConvCoeff NumConvCoeff = 3 NumStoicCoeff = 0 XoptionFlag XoptionFlag = 0

RxnID RxnID See HSTLConvReactorMapper.cpp

SIM4ME 54


Calculation of Derived Parameter from PRO II to TL Layer There is no derived parameter calculation for translation from PRO/II to TL layer mapping. Calculation of Derived Parameter from TL to ROMeo Layer There is no derived parameter calculation for translation from TL to ROMeo layer mapping.

SIM4ME 55


Equilibrium Reactor This document describes the scope and various scenarios of the PRO/II and HYSYS™ Equilibrium Reactor translation. ROMeo and Dynsim do not currently support Equilibrium reactors. Currently only the basic modes of operation are handled by the translation. Complex modes, such as overriding the Reaction data section are currently not translated. Base Pro II Model Introduction and Usage of the Model The Equilibrium reactor module simulates a reactor by solving the heat and material balances for one or more simultaneous reactions based on stoichiometry, equilibrium constant, and approach to equilibrium data. The module may operate in adiabatic mode with or without heat duty specified, or in isothermal mode either at a specified temperature or at the feed temperature. Normally, the reaction stoichiometry, heat of reaction data, and reaction equilibrium data are taken from a reaction set in the Reaction Data Section. Parameters Reactor Operation Parameters Unit Class: [EquReactor] Parameter UOM Description CurrentFeeds Number of Feed streams CurrentProducts Number of Product streams CurrentPseudoProds MergedFeed Merged feed stream MergedProduct Merged product stream MethodData Thermo method set name ~COMPSLATE Component slate FeedData Names of feed streams ProductData Names of product streams PseudoProdData ProductStoreData Phases of product streams (V/L/M etc.) FeedHolderData ProductHolderData RxOperType

Reactor operation mode 1 = Specified Tout; 2 = ADIABATIC; 3 = ISOTHERMAL

RxOperPhaseFlag

1 = VAPOR PHASE Reaction 2 = LIQUID PHASE Reaction

PressureFlag 1=PRESSURE; 2=DELTA P

SIM4ME 56


Parameter UOM Description NumberOfReactions Number of reactions BaseCompNumbers Array of Base Component Numbers (index into

component slate) BaseCompID Array of base component names RxnSetID Reaction set ID RxnID Array of reaction names OutPressCalc kPa Outlet pressure OutTempCalc K Outlet temperature ReactorDutyCalc kJ/sec Reactor duty (adiabatic operation) IsoDTFeed K Temperature difference from feed ProdEnthalpy kJ/sec Product enthalpy AdiaTmaxIn K Adiabatic Tmax AdiaTminIn K Adiabatic Tmin ReactorPresDropCalc kPa Pressure Drop XoptionFlag

0 = Stop calculations; 1 = No reaction; 2 = ADD MAKE-UP; 3 = REDUCE CONVERSION

NegCompFlag Negative components

0=No; 1=Yes HeatBalanceFlag 0 = Do Heat balance;

1 = Don't do Heat balance RxType

0 = Equilibrium REACTOR; 1 = SHIFT REACTOR; 2 = METHANATOR

TempFracApprFlag Whether approach temperature or fractional approach

EquilTempApproach K Equilibrium approach temperatures for each reaction

NumConvCoeff Number of coeff to express FRACTIONAL APPROACH (=3)

FracApprCoeff Fractional approach coefficients ShiftRxnDataIn SHIFT data

0=No; 1=Yes MethRxnDataIn METHANATION data

0=No; 1=Yes CalcConversions fraction Reaction Data Parameters Parameter UOM Description HeatsOfReaction kJ/kmol Heats of Reaction HeatOfRxnBaseComp Base component for heat of reaction RefPhaseFlag Reference phase for heat of reaction 1 =

VAPOR; 2 = LIQUID HeatOfRxnRefTemp K Reference temperature for Heat of Reaction NumEquilCoeff Number of coeff to express EQUILIBRIUM

SIM4ME 57


Parameter UOM Description data (=8)

EquilCoeff Equilibrium coefficients (input) StoiCoefIn Stoichiometry coefficients (input) EquilCoeffCalc Equilibrium coefficients (calc) EquWtUOMCalc Equilibrium Constant WT UOM Qualifier EquLiqvUOMCalc Equilibrium Constant LIQV UOM Qualifier EquPresUOMCalc Equilibrium Constant PRES UOM Qualifier EquTempUOMCalc Equilibrium Constant TEMP UOM Qualifier Equivalent HYSYS Models Parameters Reactor Operation Parameters Unit Class: [EquilibriumReactorOpObject] Parameter UOM Description FeedStreams ALIAS x_FeedStream.Stream.AttachmentName


ReactionSet ALIAS ReactionSet.AttachmentName

Reaction set name

ReactionName ALIAS x_Reaction.Value Reaction names


Energy stream name


Vapour product name


Liquid product name

IsIgnored DutyType VesselPressureSpec HeaterType DeltaP kPa Pressure drop

ApproachDT ALIAS x_DeltaT.Value C

Approach Temperature (There is actually only one of these because it seems HYSYS allows only one reaction. But we convert into an array)

C0 ALIAS x_C0.SpecifiedValue

1st Coefficient for fractional approach. These are actually specified in the Reaction section in HYSYS and must be copied to here in the XML. That's handy because in PRO/II this data goes in

SIM4ME 58


Parameter UOM Description the unit op.


2nd Coefficient for fractional approach. These are actually specified in the Reaction section in HYSYS and must be copied to here in the XML. That's handy because in PRO/II this data goes in the unit op.


3rd Coefficient for fractional approach. These are actually specified in the Reaction section in HYSYS and must be copied to here in the XML. That's handy because in PRO/II this data goes in the unit op.

Reaction Data Parameters The following Equilibrium Coefficients are not transferred across - they come from the reaction data section but must be copied into the Reactor unit in the XML. FLOATARRAY: A ALIAS x_A.SpecifiedValue FLOATARRAY: B ALIAS x_B.SpecifiedValue FLOATARRAY: C ALIAS x_C.SpecifiedValue FLOATARRAY: D ALIAS x_D.SpecifiedValue FLOATARRAY: E ALIAS x_E.SpecifiedValue FLOATARRAY: F ALIAS x_F.SpecifiedValue FLOATARRAY: G ALIAS x_G.SpecifiedValue FLOATARRAY: H ALIAS x_H.SpecifiedValue Dummy Parameters The following dummy parameters are included in the configuration file for convenience but are not filled in from the HYSYS XML file. STRINGARRAY: ProdStreams //Non-existent FLOAT: DeltaTemp //Non-existent - come through as RMISS FLOAT: Pressure //Non-existent - come through as RMISS FLOAT: ReactorDuty //Non-existent - come through as RMISS FLOAT: Temperature //Non-existent - come through as RMISS FLOAT: AdiaTmaxIn //Non-existent - come through as RMISS FLOAT: AdiaTminIn //Non-existent - come through as RMISS

SIM4ME 59


Common Data Base Structure Parameters Class Name: [EquReactor] Parameter UOM Description NumComps Number of components NumOfFeeds Number of feed streams NumOfProds Number of product streams MethodSlate Thermo method set name COMPSLATE Component slate FeedStreams Array of feed stream names ProdStreams Array of product stream names ProductStoreData Product stream phases (V/L/M etc.) RxOperType Reactor operation mode

1 "User Specified Temperature" 2 "Adiabatic" 3 "Use Feed Temperature"

RxOperPhase

Reaction Phase flag 1 "Vapor" 2 "Liquid"

PressureFlag 1=PRESSURE; 2=DELTA P; 3=NEITHER NumberOfReactions Number of reactions RxnSetID Reaction Set name BaseCompNumbers Array of Base Component Numbers (index into

component slate) BaseCompID Base component names RxnID Array of reaction names Pressure kPa Outlet pressure PresDrop kPa Pressure drop Temperature K Outlet temperature ReactorDuty kJ/s Reactor Duty (adiabatic operation) IsoDTFeed ProdEnthalpy AdiaTmaxIn K Max Temperature (adiabatic operation) AdiaTminIn K Min Temperature (adiabatic operation) DeltaTemp K XoptionFlag

0 = Stop calculations; 1 = No reaction; 2 = ADD MAKE-UP; 3 = REDUCE CONVERSION

NegCompFlag Negative components

0=No; 1=Yes HeatBalanceFlag 0 = Do Heat balance;

1 = Don't do Heat balance RxType 0 = Equilibrium REACTOR;

1 = SHIFT REACTOR;

SIM4ME 60


Parameter UOM Description 2 = METHANATOR

TempFracApprFlag Whether approach temperature or fractional approach

EquilTempApproach K Equilibrium approach temperatures for each reaction

NumFracCoeff Number of coeff to express FRACTIONAL APPROACH (=3)

FracApprCoeff Fractional approach coefficients ShiftRxnDataIn SHIFT data ?

0=No; 1=Yes MethRxnDataIn METHANATION data ?

0=No; 1=Yes Conversion fraction NumEquilCoeff Num coeff to express EQUILIBRIUM data (8) EquilCoeff HeatsOfReaction

SIM4ME 61


Expander This document describes the scope and various scenarios of the PRO/II Expander translation to the Dynsim and ROMeo Expander and a HYSYS™ Expander to a PRO/II Expander. Base PRO/II Model Introduction and Usage of the Model

he expander unit simulates a siT ngle stage isentropic expansion in PRO/II. The operating r the expander unit are the outlet conditions (outlet pressure, pressure drop, ork) and the expander efficiency. If the outlet pressure is specified, the power

enerated and the outlet temperature is calculated. If work is specified, the corresponding sure is ed.

Parameter UOM

specifications foressure ratio, wp

gletdown pres calculat

Parameters

Description

CurrentFeeds

The number of feed streams currently attached to the unit. Since Expander is a flow device in Dynsim with only one input stream, a Header is added at the upstream if the valueof this parameter is >= 2

CurrentProducts

The number of product streams currently attached to the unit. Since Expander is a flow device in Dynsim with only one output stream, a Drum is added at the downstream, toaccount for phase separation, if there is more t

han one

product stream.

MergedFeed nal The stream ID of the merged feed stream. This is an inter

feed stream that is used to set the Temperature, Pressure, enthalpy and composition of all feed streams

MergedProduct ernal

The stream ID of the merged feed stream. This is an intfeed stream that is used to set the Temperature, Pressure, enthalpy and composition of all fproduct streams

FeedData

A vector containing the IDs of all of the feed streams. FeedData does not contain specific data such as the temperature, pressure, or composition of the individual streams, only the ID of the stream. In PRO/II the ID can be used to retrieve the stream data block which contains a complete description of the stream

ProductData A vector containing the IDs of all of the product streams. See FeedData.

ProductStoreData A vector containing the product phases corresponding to

SIM4ME 62


Parameter UOM Description each of the product stream.

TempOutletCalc K

ms and value to that of the MergedProduct

gh the

This is the temperature of the expander product streashould be identical instream. PRO/II uses this variable to make the product stream temperatures available to other units throuspec/vary/define subsystem.

PressOutCalc kPa

will be identical to the pressure of the

h

t changed by PRO-II during its unit

is likely to be a correct and consistent value.

over PressOutletIn. [Also: See

This variable MergedProd stream. It may be different from the PressOutletIn parameter, whicis the user-entered value for the outlet pressure. PressOutletIn is nocalculations. PressOutCalcSo, mapping using the outlet pressure should pick up this PressOutCalc in preferenceTempOutletCalc]

EffAdiaCalc ork Calculated value of adiabatic efficiency used in the wcalculation

WorkActualCalc J/sec hat is derived from the expander K Calculated value of Work tVolFlowVapInlet m3/sec Inlet volumetric flow rate

AdiaStrmID in initializing Feed adiabatic flash stream ID. UsedExpander feed flash

IsenStrmID Feed isentropic flash stream ID. Used in initializing Expander isentropic flash

WorkTheoCalc kJ/sec Isentropic work calculated by PRO-II WorkIn kJ/sec User entered Work by the Expander HeadCalc r Expander m Calculated Head fo

PressRatioCalc Dimensionless xpander Ratio of outlet pressure to inlet pressure of ecalculated by PRO-II.

PressDropCalc kPa Calculated pressure drop across the expander.

SpecFlag Dimensionless ec, SpecFlag = 1.

This flag is used to select the specification either based on pressure or work. For all Pressure related spFor Work, the SpecFlag = 2.

PressOutletIn kPa

II initializes this with a value

This is a user-entered value for the Outlet pressure of theExpander. By default, PRO-1.5e+035. So, its value will be different only if the user enters a different value. So, spec mapping is done as follows. If the SpecFlag is one and PressOutletIn value != -1.5e+035, then this need to considered as specification.

PressDropIn kPa and PressDropIn value != -1.5e+035, thInternal input parameter for pressure. If the SpecFlag is one

en this need to considered as specification.

PressRatioIn Dimensionless al input parameter for pressure. If the SpecFlag is one

and PressRatioIn value! = -1.5e+035, then this needs to Intern

considered as specification.

SIM4ME 63


Equivalent Dynsim Model / Models: Header – Expander - Drum Introduction and Usage of the Model

he Expander is a flow device that can be used to model a steam turbine or a gas expander. It can

shaft, the shaft sets the speed of the expander via a mechanical tream.

eader is used for mixing up all streams and sending a single MergedFeed to Flow Device.

D for the separation and stream ed to various ports based on the product phase speci

arameters

base

Tbe standalone or power derived, in which case, it can be used to drive a shaft, compressor, or a pump. When connected to thes H

rum is used phase s are connectfications.

P

eters aStatic Paramrameter UOM

to DatPa DescriptionJ (kg/sec)/sqrt(kPa-kg/m3) Volumetric FlowETA fraction Efficiency

Parameters to States.dat

Description Parameter UOM FI kg-mol/sec Inlet flow Power KJ/sec Power generated Q m /sec Volumetric flow 3

Speed rpm Expander speed Equivalent ROMeo Model / Models:

he Expander unit models a single-stage isentropic expansion with a single feed and a single

The e r head spe c arameters or a r

he following assumptions and restrictions apply to the expander model:

eams.

esented as a single-phase vapor stream model, requiring the vapor entropy addition to the basic stream variables. The product stream is also a vapor stream. The

nal stream to perform the isentropic calculations.

Introduction and Usage of the Model Tproduct stream.

op rating specifications for Expander unit include various pressure, work ocifi ations and the Expander efficiency. You can supply a specific value for these p pe formance curve.

T

• The Expander model is restricted to one feed and one product stream. • You must add a Mixer before the unit to accommodate multiple feed str• ROMeo does not allow the specification of the outlet temperature as an alternative to an

expander efficiency specification. The feed stream is reprinExpander model adds an inter

SIM4ME 64


The Expander model checks the feed stream phase at cross-check time and generates a warning if the dthe prod a flash calculation is performed. If a liquid phase is detected in the product, a war g

he user input is as follows:

• The first specification is a outlet pressure, pressure drop or pressure ratio work, or head

iency of the expander. • Component slate and thermodynamic method for the unit (required).

s

e Pro/II param describemeter det eeded i

fee stream has not been set to single-phase vapor. Similarly, when output is requested for uct stream,

nin is generated.

T

condition. • The second operating specification is the effic

Parameter

of thSome eters, as d in Pro/II section will be used. Following additional parameters/para ails are n n ROMeo: Parameter UOM Description MoleFrac fraction Mole fraction [“Comp”] of stream PhaseFrac fraction Phase fraction [“Vapor”] of stream Enth kJ/kg Enthalpy SumMoleFrac fraction Sum of mole fractions VolFlowPerRPM 3 cond per rotation m /sec/rpm Volumetric flow per seEfficiency percent Adiabatic efficiency of expander Currenteff percent Current Efficiency. BaselineEff percent Base line efficiency, as the case may be. EffOffsetFromBaseline percent Difference between the baseline and adiabatic

efficiency. RefSpeedRatio Dimensionless Reference speed ratio Speed rps Rotation per second. RefSpeed rps Rotation per second. PowerEconManager Currency/sec Cost of utility Note: For Isentropic Stream parameters, refer to Stream parameters Equivalent HYSYS Model: Expander Introduction and Usage of the Model The HYSYS™ Expander is a flow device that is used to model a steam turbine or a gas expander. It can be connected to an Energy Stream that defines the Expander duty. Outlet pressure or pressure drop across the Expander can be specified. Since HYSYS™ uses the same model for its steady-state and dynamic state, it supports multiple-curves at different speeds. It also interpolates between the speeds to calculate the head and efficiency at a given operating speed if different from the curve reference speed.

SIM4ME 65


Parameters Expander Parameter UOM Description AdiabaticEfficiency The Adiabatic or Polytropic efficiency of the

Expander. UseAdiabaticEfficiencySpec UsePolytropicEfficiencySpec

Based on which of these flags is “ON”, the above parameter, “AdiabaticEfficiency” holds the value of Adiabatic efficiency or the Polytropic Efficiency

DeltaP kPa The pressure drop across the Expander

UseDutySpec UseDeltaPSpec UseHeadSpec UseCapacitySpec

These flags indicate which of the following specs is specified in Hysys Expander: duty/DeltaP/Head/Capacity.

FeedStreams ALIAS x_FeedStream.TaggedName

String Array of the names of Feed Streams attached to the Expander

ProdStreams ALIAS x_ProductStream.TaggedName

String Array of the names of Product Streams attached to the Expander

EnergyStream ALIAS EnergyStream.TaggedName String Name of the Energy stream attached to the

Expander IsCurve ALIAS CompExpCurveData.CompExpCurvesEnabled

Flag specifies if a Head Vs Curve is active in Hysys.

EfficiencyType ALIAS CompExpCurveData.CompExpCurveEfficiencyType

String This indicates what type of efficiency type (adiabatic or Polytropic) has been specified in the Curves.

CurveDataPointNumber This is the Curve Point number CurveNumber ALIAS CompExpCurveData.CompExpCurve.Number

Array of Curve numbers. If there are three curves defined, this has the three numbers 1,2,3.

CurveName ALIAS CompExpCurveData.x_CompExpCurve.CompExpCurveName

String Array of names of the Curves like: “Curve-at-3600” etc.

CurveSpeed ALIAS CompExpCurveData.x_CompExpCurve.Speed

RPM Array of the Reference speeds at which the Curve data has been supplied.

CurveHeadUnits ALIAS CompExpCurveData.x_CompExpCurve.HeadUnits

Array of the UOM for Head in the curve

SIM4ME 66


Expander Parameter UOM Description CurveFlowUnits ALIAS CompExpCurveData.x_CompExpCurve.FlowUnits

Array of the UOM for Flow in the curve

IsCurveActive ALIAS CompExpCurveData.x_CompExpCurve.CurveActive

This Flag indicates if a supplied Head-Flow curve is active or inactive.

CurveDataPointFlow ALIAS CompExpCurveData.x_CompExpCurve.CurveDataPoint.Flow

This array stores all the Flow data for all the supplied data points.

CurveDataPointHead ALIAS CompExpCurveData.x_CompExpCurve.CurveDataPoint.Head

This array stores all the Head data for all the supplied data points.

CurveDataPointEff ALIAS CompExpCurveData.x_CompExpCurve.CurveDataPoint.Efficiency

This array stores all the Head data for all the supplied data points.

FluidPkg ALIAS FluidPackage.FluidPackage Stores the Fluid package associated with.

Common Data Base Structure - Expander Parameters Parameters UOM Description NumOfFeeds Number of feeds to expander NumOfProds Number of products from expander FeedStreams Array containing IDs of Feed streams ProdStreams Array containing IDs of Product streams PressureOutlet kPa Outlet pressure of Expander PressureRatio Ratio of outlet to inlet pressure across expander PressureDrop kPa Pressure drop across Expander Efficiency percent Actual Efficiency Power kW Theoretical work developed by Expander Temperature K Expander exit temperature VolFlow m3/sec Volumetric flow across Expander Head kJ/kg Actual Head Pressure kPa Inlet Pressure VolFlowPerRPM m3/sec/rpm Volumetric Flow per RPM LowPDFlag Flag to check Low Pressure drop across expander

TwoPhaseFlagFeed Flag to check presence of two-phase in Expander feed since ROMeo Expander cannot take liquid in

SIM4ME 67


Parameters UOM Description feed.

SpecFlag Flag to map PRO-II Expander specification to corresponding ones in the destination product

COMPSLATE Component Slate used in PRO-II MethodSlate Method Slate used in PRO-II FlowConductance For Flow Conductance in DynSim EfficiencySelection For Efficiency Selection in ROMeo. MolarFlow kg-mol/sec Molar flow across the Expander. ProductStoreData ISENSTREAM VARIABLES:

IsenStrmID Stream ID of the Isenstream. NumComps IsenMolarFlow Isentropic stream molar flow IsenSpecificEnthalpy Isentropic stream Specific enthalpy IsenTemperature Isentropic stream Temperature IsenPressure Isentropic stream Pressure IsenVaporFraction Isentropic stream vapor fraction IsenLiquidFraction Isentropic stream liquid fraction IsenLiquid2Fraction Isentropic stream water fraction IsenMW Isentropic stream molecular weight IsenMolarDensity Isentropic stream molar density IsenSpecificEntropy Isentropic stream specific entropy IsenCompMoleFraction Isentropic stream component mole fraction The merged feed stream is used to update the properties (states.dat) of the upstream Header incase there is more than one feed stream to the PROII Expander. The merged product stream is used to initialize the exit flash (states.dat) of the Expander. The feed adiabatic flash stream is used to initialize the feed flash (states.dat) of the Expander. The feed isentropic stream is used to initialize the isentropic flash (states.dat) of the Expander. Calculation of Derived Parameter from PRO II to TL Layer Expander Sizing The expander flow conductance is calculated as follows:

MwMergedFeedDensityMergedFeedP

FlowMergedFeedJ.

..

∗∆∗=

SIM4ME 68


Validate Feeds When there are multiple inputs to the PROII Expander is added in the TL layer to set single mixed input to the expander. The TLHeader is characterized by volume, total moles and individual component moles. These parameters are calculated as follows:

][.][.

./.

iactionCompMoleFrMergedFeedMTitateCompMolesSyBulkDensitMergedFeedVolumeTotalMoles

yBulkDensitMergedFeedFlowTotalMolarMergedFeedTimeResidenceVolume

⋅=⋅=

⋅=

Validate Products When there is more than one product stream from the Expander, a Drum is inserted at the downstream to account for phase separation. Molar Density The molar density of the stream in TL Layer is calculated as follows:

BulkMwyBulkDensittyMolarDensi /= Calculation of Derived Parameter from TL to DynSim Layer When TLHeader is translated to DSHeader additional parameters like area of heat transfer and metal mass should be calculated. The DSHeader Area and Mm (MetalMass) are calculated as follows:

)/7760(.

//4

3

3

mkgDensitytyMolarDensiMergedFeedHeightThicknessDiameterMm

HeightDiameterAreaDiameterRatioDHHeight

RatioDHVolumeDiameter

=

⋅⋅⋅⋅=⋅⋅=⋅=

⋅⋅

=

ππ

π

Calculation of Derived Parameter from TL to ROMeo Layer Only one calculation is needed to calculate VolFlowPerRPM:

VolFlowPerRPM = VolFlowVapInlet / Speed

where: VolFlowVapInlet = Volumetric Flowrate, m3/sec, Speed = rotations per second, rps, VolFlowPerRPM = Volumetric Flowrate per Rotation, m3/sec/rps.

SIM4ME 69


Fired Heater This document describes the scope and various scenarios of translation of the PRO/II User added module to the ROMeo Unit Ops. Currently Fired Heater UAM is translated into ROMeo Firebox. Base Pro II Model Introduction and Usage of the Model PRO/II User added modules are custom built module and designed for unit operation or unit process. Fired Heater is a user added module and it raises the temperature of fluid on one side by burning fuel on the other side. The Fired Heater model acts as a combustion reactor and heat exchanger. The Fired Heater unit operation has two sections as in heat exchanger. In the Process Side, process fluid to be heated is sent to tube side and comes out of the exit. In the Combustion Side, one or more streams comprising of Fuel and Air are sent in and one exit for FLUE gas; where a combustion reactor is modeled. Only Heat transfer occurs across the two sides. No mass transfer occurs across the two sides. Feeds to the Fired Heater unit operation can be to either of these two sides. There will be one or more hydrocarbon (fuel) and air/Oxygen streams feeding the unit operation. These streams will be burned to produce a single product stream on the combustion side. Units of Measure Internal Units of Measure for the ROMeo are mostly in SI units and the deviations are consistent across PRO II and Dynsim Parameters Valve Parameter UOM Description



FeedData



IuParName Vector of parameter names of User Added Module

SIM4ME 70


Valve Parameter UOM Description

RparmDataCalc Vector of calculated values of parameters, defined under IuParName.

RparmDataIn Vector of user specified values of parameters, defined under IuParName.

IuAccUAType User added Module type e.g.”FURNACE”. Used for mapping in TL to Destination holder mapper.

MergedFeed The stream ID of the merged feed stream. This is an internal Feed stream.

MergedProduct


Equivalent ROMeo Model: Firebox Introduction and Usage of the Model The Firebox unit acts as a combination Reactor model and Simple Heat Exchanger model. The fuel on the combustion side reacts with air, releasing heat that is radiated to an array of tubes carrying the process stream. For modeling purposes, the Firebox is divided into three segments the combustion side, the process side, and the firebox model providing the equations that connect the two sides. The tubeskin temperature is predicted from heat balances around the reactor/heat transfer system, from radiative heat transfer equations from the radiating gas to the tube, and from regular heat transfer equations from the surface of the tube to the process stream within the tube. Parameters Valve Parameter UOM Description

~CombustionCOMPSLATE

Combustion side component slate. New comp slate will be created in ROMeo Simulation with this name. CO2, N2, O2, SO2 and H2O are components of this slate.

~ProcessCOMPSLATE Process side component slate.

~ProcessMethodSlate Process side method slate.

~CombustionMethodSlate Combustion side method slate.

SpecMaxTubeskinTemp TubeSkin specification.

v_AtmosphericTemp K Ambient temperature. v_AvgTubeskinTemp K Average Tubeskin temperature.

v_GasTubeHeatTran Kj/Sec/K� Gas to Tube heat transfer coefficient.

SIM4ME 71


Valve Parameter UOM Description sCoef v_GasWallHeatTransCoef Kj/Sec/K� Gas to Wall heat transfer coefficient.

v_MaxTubeskinTemp K Maximum tubeskin temperature

v_PctWallLoss % Percent of heat loss to ambient. v_ProcessDuty Kj/Sec Process side duty. v_RadGasCorrConst Radiant Gas correction factor. v_TempRatio Temperature Ratio. v_TubeskinDeltaTemp K Tubeskin delta temperature.

v_TubeProcHeatTransCoef Kj/Sec/K Tube to process heat transfer coefficient.

v_WallHeatLoss Kj/Sec Heat loss through wall. v_WallAtmHeatTransCoef Kj/Sec/K Wall to atmosphere heat transfer coefficient.

v_WallTemp K Wall temperature. v_BridgewallTemp K Bridgewall Temperature. v_ProcessOutTemp K Process Outlet temperature ProcSide.v_PresDrop kPa Process Side pressure drop. SpecGasTube Gas to tube heat transfer coefficient specification. SpecTubeProc Tube to process heat transfer coefficient specification SpecAvgTubeTemp Average tube temperature specification. SpecProcessTemp Process outlet temperature specification. SpecProcessDuty Process side duty specification. SpecGasWall Gas to wall heat transfer coefficient specification. SpecWallAtm Wall to ambient heat transfer coefficient specification. SpecWallTemp Wall temperature specification. SpecWallLoss Wall heat loss specification. SpecPctLoss Percent loss specification. SpecBridgeTemp Bridge Temperature specification.

ProcSide.PresChoice Pressure Drop choice, 0 = outlet pressure, 1 = pressure drop, 2 = co-relation.

Common Data Base Structure - UaUOP Parameters Pro/II Valve Parameters TL Parameter CurrentFeeds NumOfFeeds CurrentProducts NumOfProds MergedProduct MergedFeed FeedData FeedStreams ProductData ProdStreams

SIM4ME 72


To keep TL persistent to all user added module, while going from P2 to TL layer, the parameter vector and calculated value and input value are expanded and assigned to individual parameter. Hence, each parameter is post-fixed as “Calc” and “In.” So XXXCalc is calculated value for parameter XXX and XXXIn is user Specified value for that variable. The XXXIn values are used to map specification in destination application. Calculation of Derived Parameter from PRO II to TL Layer There is no derived parameter calculation for translation from PRO/II to TL layer mapping. Calculation of Derived Parameter from TL to DynSim Layer There is no derived parameter calculation for translation from TL to Dynsim layer mapping. Calculation of Derived Parameter from TL to ROMeo Layer There is no derived parameter calculation for translation from TL to ROMeo layer mapping.

SIM4ME 73


Flash This document describes the scope and various scenarios of translation of the PRO/II Flash unit operation to an equivalent Dynsim and ROMeo unit operations and a HYSYS™ Separator/3-PhaseSeparator/Tank to a PRO/II Flash unit operation.

Water Dew Point Flash - Either pressure or temperature (first specification) and the water dew point (second specification).

Base PRO/II Model Introduction and Usage of the Model The Flash unit operation calculates the thermodynamic state of any stream when two specifications (e.g. temperature and pressure) are given. Once the phase equilibrium is determined, the phases may be separated into distinct product streams. The duty required to achieve this state is reported for all Flash Types, except adiabatic flash. Flash does the following phase calculations: (a) VLE Calculations: Two phase calculations containing one vapor and one liquid phase (b) VLLE Calculations: Three phase calculations containing one vapor and two liquid phases. (c) Electrolytic Calculations: Calculating the equilibrium for aqueous systems. A flash calculation type is selected based on your choice for the first and second specifications of the Flash and various Flash configurations that can configure were Adiabatic Flash - Pressure (first specification) and duty (second specification). Isothermal Flash - Temperature and Pressure (one of them for the first specification and the other for second specification). General Dew Point Flash - Either Pressure or Temperature (first specification) and dew point (second specification).

Hydrocarbon Dew Point Flash - Either Pressure or Temperature (first specification) and the hydrocarbon dew point (second specification). Bubble Point Flash - Either Pressure or Temperature (first specification), and Bubble point (second specification) Isentropic Flash – Either Temperature or Pressure (first specification) and isentropic process (second specification) Stream specification Flash- Either Pressure or Temperature (first specification) and supply a value for a Generalized Performance Specification for the product stream (second specification) Entrainment: One can specify the extent of entrainment, if any, from one phase to another in the flash unit. Entrainment calculations are done after the original flash calculations are completed. The final product streams after the entrainment calculations may be different from the flash specifications.

SIM4ME 74


Parameters Parameter UOM Description



MergedFeed

The stream ID of the merged Feed stream. This is an internal Feed stream that is used to set the Temperature, Pressure, enthalpy and composition of all product streams

MergedProduct


FeedData



ProductStoreData A vector containing the phase information of all the product streams.

TempCalc K

This is the temperature of the Flash product streams and should be identical in value to that of the MergedProduct stream. PRO/II uses this variable to make the product stream temperatures available to other units through the spec/vary/define subsystem. The value is set during the PRO/II flow sheet solve

PressCalc kPa

This variable is similar to TempCalc and should be identical to the pressure of the MergedProduct stream. It may be different from the PressIn parameter, which is set by the user and is not changed by the unit calculations. PressCalc should be assumed to be a correct and consistent value. PressIn should not be used.

PressDropCalc kPa This is the calculated value of pressure drop across the Flash. See TempCalc and PressCalc

DutyCalc KJ/sec This is the calculated value of Duty in the Flash to satisfy the specifications.

DutyIn KJ/sec User specified duty.

PresTempFlag Flag specifying whether pressure or temperature or both are specified.

PresDPFlag Flag specifying whether pressure or pressure drop is specified.

Type Flag indicating kind of flash specification. EntrainmentCount Number of entrainments specified. EntrType Type of entrainment specifications: Rate, Fraction or

SIM4ME 75


Parameter UOM Description Percent.

EntrFromPhase Phase from which moles are transferred. EntrToPhase Phase to which moles are transferred EntrMolarRates kg-mol/sec Molar rates of entrainment

EntrValuesCalc Various Values of entrainment caculated in terms of input specifications (Rate, Fraction or Percent).

PRO/II MergedFeedStream UOM Description

TotalComposition

fraction The bulk composition of the product streams. VaporComposition, LiquidCompostion and SolidComposition give other compositions. If two liquid phases exist, Liquid Composition is the bulk composition of the liquid phase. Otherwise, it is simply the composition of the liquid

TotalMolarEnthalpy kJ/kg-mol Total Enthalpy VaporFraction fraction Vapor fraction LiquidFraction fraction Liquid1 fraction WaterFraction fraction Decant water fraction

SolidFraction fraction The fraction of solids in the stream. If it has a positive non-zero value, solids are present. This should be flagged as an error condition.

BulkMwOfPhase Bulk Molecular weight BulkDensityAct kg-mol/m3 Bulk molar density PRO/II Feed Stream UOM Description TotalMolarRate Total molar flow rate kg-mol/sec

Equivalent Dynsim Model / Models

Introduction and Usage of the Model

The Drum is a pressure node object that can be used as two or three phase separation vessel. Drum includes a single holdup volume such that the vapor and liquid are always in thermal and vapor/liquid or vapor/liquid/liquid equilibrium. Since the Drum is a single holdup model, all outlet streams will be at the same temperature. The Drum uses compressible holdup dynamics and automatically switches to incompressible holdup if it is liquid filled. The Drum accounts for heat transfer from fluid to the metal and metal to surroundings, permits heat transfer from external sources directly to the metal and/or fluid through heat streams. The iterated and explicit solution options are available for pressure calculations. The iterated solution option is used for small volume compressible systems, and the explicit solution option is used for large volume compressible systems.

SIM4ME 76


Assumptions in Drum Sizing The Drum in DynSim is sized based on following assumptions:

• Residence time for the liquid is 5 minutes and for vapor is 5 seconds. • If there is both vapor and liquid present, assume 50% liquid, 50% vapor. • Otherwise, 100% liquid or 100% vapor. • Aspect ratio is 4.0. • Minimum Diameter of drum is 0.5 meter. • Boot will be added if there is a liquid2 stream even with zero flow. • Aspect ratio for boot is 4.0. Minimum Diameter of boot is 0.15*Diameter of main

section. • Actual volume of boot will be 1.05 * (liquid2 holdup).

Parameters Static Parameters to Database Parameter UOM Description Orientation Orientation of the drum Diameter m Drum diameter Length m Drum surface Length Thickness m Drum metal Thickness Boot Diameter m Diameter of the boot that is used to withdraw second liquid Boot Length m Length/Height of the boot that is used to withdraw second

liquid Parameters to States.dat Parameter UOM Description Z [0]...........Z [i] FLASH.Z [0]...FLASH.Z [i]

fraction Composition

H & FLASH.H kJ/kg-mol Enthalpy P & FLASH.P kPa Pressure T & FLASH.T K Temperature FLASH.VF fraction Vapor Fraction FLASH.LF1 fraction Liquid Fraction 1 FLASH.LF2 fraction Liquid Fraction 2 FLASH.R kg-mol/m3 Molar Density FLASH.MW Molecular Weight

Equivalent ROMeo Model / Models Introduction and Usage of the Model ROMeo flash model is similar to PRO/II model. It calculates the phase separation based on two user specified specifications. Allowed specifications are: Pressure or Pressure Drop, Temperature, Duty, Adiabatic, Dew Point, Bubble Point and Vapor Fraction. One can also specify the extent of entrainment from one phase to another in the flash unit. Entrainment calculations are done after

SIM4ME 77


the original flash calculations are completed. The final product streams after the entrainment calculations may be different from the flash specifications. Parameters and Variables Flash Parameter UOM Description

~FeedStreams


~ProdStreams A vector containing the IDs of all of the product streams. See FeedData

~FeedPorts A vector containing the name of Feed ports. ~ProdPorts A vector containing the name of Product ports. IntStr.v_Prop A vector containing properties. At present, it

contains only molar enthalpy.

~Props Set over which IntStr.v_Prop is defined.

IntStr.v_Flow A vector containing flows in various units. Currently, it contains value for only Molar flow.

~Flows Set over which IntStr.v_Flow is defined.

Spec1 Stores the first specification Spec2 Stores the second specification

PresDropName Name of the stream with respect to which pressure drop is specified.

v_PresDropt kPa This is the calculated value of pressure drop across the Flash.

IntMix.v_PresDrops kPa Vector containing pressure drop for each of the feed stream.

IntMix.v_Pres, IntStr.v_Pres kPa Calculated Pressure

IntMix.v_Duty KJ/sec This is the calculated value of Duty in the Flash to satisfy the specifications.

IntStr.v_Temp K Calculated temperature IntStr.v_MoleFrac fraction Overall composition of the flash product IntStr.v_PhaseFrac fraction Vector containing phase fractions

IntStr.Equil.PhasePresence Vector containing information regarding presence or absence of phase.

IntStr.Vap.v_MoleFrac fraction Vapor composition IntStr.Liq.v_MoleFrac fraction Liquid composition IntSplit.UseEntrain Entrainment flag IntSplit.EntrainFrom Phase from which moles are transferred. IntSplit.EntrainTo Phase to which moles are transferred IntSplit.v_EntrainFrac fraction Entrainment fractions

SIM4ME 78


Flash Parameter UOM Description

IntSplit.AASET_Entrains Set over which IntSplit.EntrainFrom, IntSplit.EntrainTo and IntSplit.v_EntrainFrac are defined.

Equivalent HYSYS Model – Separator / 3-Phase Separator / Tank Introduction and Usage of the Model HYSYS™ for separation operations has a 2- Phase Separator (Separator), a 3-Phase Separator and a Tank model. These models have process feed and product streams, and a heat stream connected to the energy port. The Separator and the Tank are translated as Flash unit operation with a two-phase separation in PRO/II, whereas a 3-Phase Separator is translated as Flash with either a two-phase or a three-phase separation in PRO/II. The Separator and 3-Phase Separator can be specified in number of ways viz. Duty, Product Temperature, etc. If Separator and 3-Phase Separator are specified with specification other than Duty then it is mapped to the product temperature of the Flash unit operation of PRO/II.

Parameters Parameter/Variable Type Description DutyType LONG Duty type as Yes/No HeatFlow FLOAT Heat through energy stream VesselPressureSpec LONG Vessel Pressure DeltaP FLOAT Pressure Drop FeedStreams ALIAS x_FeedStream.Stream.TaggedName

StringArray Feed Streams

VapourProduct ALIAS VapourProduct.TaggedName

String Name of the Vapor Product

LiquidProduct ALIAS LiquidProduct.TaggedName

String Name of the Liquid Product

EnergyStreams ALIAS EnergyStream.TaggedName

String Name of the Energy Stream

STRING:HeavyProduct ALIAS HeavyProduct.TaggedName

String For 3-Phase Separator: Value of Heavy Product.

EntrainmentStatus ALIAS COverCalc.CarryOverModel

FLOAT Check to See Entrainemt

EntrainmentLG ALIAS COverCalc.COverSetupData.LgtInGas.ProductFractionSpec.Value

FLOAT Liquid in Gas

EntrainmentHG ALIAS COverCalc.COverSetupData.HvyInGas.ProductFractionSpec.Value

FLOAT Heavy in Gas

EntrainmentGL ALIAS FLOAT Gas In Liquid Variable

SIM4ME 79


Parameter/Variable Type Description COverCalc.COverSetupData.GasInLgt.ProductFractionSpec.Value EntrainmentHL ALIAS COverCalc.COverSetupData.HvyInLgt.ProductFractionSpec.Value

FLOAT Heavy in Liquid Variable

EntrainmentGH ALIAS COverCalc.COverSetupData.GasInHvy.ProductFractionSpec.Value

FLOAT Gas in Heavy Variable

EntrainmentLH ALIAS COverCalc.COverSetupData.LgtInHvy.ProductFractionSpec.Value

FLOAT Liquid in Heavy Variable

Common Data Base Structure – Flash Units of Measure Internal Units of Measure for the Common Data Base Structure is in SI units Parameters

DynSim Parameters

ProII Flash Parameters TL Parameter ROMeo Parameters

CurrentFeeds NumOfFeeds CurrentProducts NumOfProds MergedProduct MergedProd FeedData OFeedStream FeedStreams ~FeedStreams ProductData ProdStreams OProdStream ~ProdStreams TempCalc Temparature T IntStr.v_Temp

PressCalc Pressure IntMix.v_Pres, IntStr.v_Pres P

PressDropCalc PressDrop v_PresDropt DIA DIA LEN LEN

DIABOOT LENBOOT

DIABOOT LENBOOT

DutyCalc QIMP QIMP IntMix.v_Duty DutyIn SpecifiedDuty Spec2 Type FlashType Spec1, Spec2 PresDPFlag PresDPFlag Spec1, Spec2 PresTempFlag PresTempFlag Spec1, Spec2 EntrainmentCount EntrainmentCount EntrType EntrType IntSplit.v_EntrainFracEntrFromPhase EntrFromPhase IntSplit.EntrainFrom EntrToPhase EntrToPhase IntSplit.EntrainTo EntrMolarRates EntrMolarRates EntrValuesCalc EntrValues IntSplit.v_EntrainFrac EntrainmentFlag IntSplit.UseEntrain

SIM4ME 80


PROII MergedProductStream in TL Parameter DynSim

Parameters ROMeo Parameters

TotalComposition OverallComp Z IntStr.v_MoleFrac

LiquidComposition LiquidComposition Liq.v_MoleFrac

VaporComposition VaporComposition Vap.v_MoleFrac

TotalMolarEnthalpy OverallEnth H IntStr.v_Prop[0] VaporFraction VaporFraction VF IntStr.v_PhaseFrac LiquidFraction LiquidFraction LF IntStr.v_PhaseFrac WaterFraction WaterFraction LF2 IntStr.v_PhaseFrac BulkMW

TL Parameter ROMeo Parameters

MW MW BulkDensity R R

PROII Feed Stream DynSim Parameters

TotalMolarRate MolarFlow FI/FX IntStr.v_Flow[0]

PROII Product Stream TL Parameter Dynsim Parameters ROMeo Parameters

TotalMolarRate MolarFlow FI/FX

Calculation of Derived Parameter from PRO II to TL Layer The Flash in PROII is translated to Drum in TLLayer. Volume, total moles and individual component moles characterize the TLDrum. These parameters are calculated as follows: Drum Sizing is done as follows Diameter calculation:

Volume and Height Calculation:

SIM4ME 81


Calculation of Derived Parameter from TL to Dynsim Layer When TLDrum is translated to DS Drum additional parameters like area of heat transfer and metal mass should be calculated.

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Gibbs Reactor This topic describes the scope and various scenarios of the PRO/II and HYSYS™ Gibbs Reactor translation. ROMeo and Dynsim do not currently support Gibbs reactors. Currently only the basic modes of operation are handled by the translation. Complex modes such as overriding the Reaction data are currently not translated. Base PRO/II Model Introduction and Usage of the Model The Gibbs reactor module simulates a single-phase or multi-phase reactor by solving the heat and material balances using minimization of Gibbs free energy. The module may operate in adiabatic mode with or without specifying heat duty, or in isothermal mode with either a specified temperature or the feed temperature. Parameters Reactor Operation Parameters Unit Class: [Gibbs] Parameter UOM Description UnitName Unit Description CurrentFeeds Number of Feed streams CurrentProducts Number of Product streams CurrentPseudoProds MergedFeed Merged feed stream MergedProduct Merged product stream MethodData Thermo method set name ~COMPSLATE Component slate FeedData Names of feed streams ProductData Names of product streams PseudoProdData ProductStoreData Phases of product streams (V/L/M etc.) FeedHolderData ProductHolderData OperFlagCalc

Reactor operation mode 1 "User Specified Temperature" 2 "Adiabatic" 3 "Use Feed Temperature"

RXNPhaseFlagCalc

Reactor Phase flag! Note "3" is not used 1 "Vapor" 2 "Liquid" 3 "Vapor-Liquid" 4 "Liquid-Liquid" 5 "Vapor-Liquid-Liquid" 6 "Calculated"

SIM4ME 83


Parameter UOM Description PressDropFlag 1=PRESSURE;

2=DELTA P; NumRxn Number of stoichiometric reactions ProdEstimFlagCalc

Product estimate flag (input) 0 "PROII default" 1 "Weight Average" 2 "User Estimate"

ThermoUpdateFgCalc

Physical property update flag 0 "Use Properties from Previous Iteration" 1 "Update Properties at Each Calulation Step"

MaxIterCalc Maximum iterations allowed StartTrialCalc Iteration number before start phase TrialFreqCalc Frequency of phase split trial RxnSetNumber Reaction set ID RxnID Array of reaction names PressDropCalc kPa Pressure Drop OutPressCalc kPa outlet pressure OutTempCalc K outlet temperature DutyCalc kJ/sec Reactor duty (adiabatic operation) MaxTempIn K Adiabatic Tmax MinTempIn K Adiabatic Tmin GuessPhaseCalc

1 "Vapor"

3 "Vapor-Liquid"

5 "Vapor-Liquid-Liquid"

Guessed phase when PHASE is unknown

2 "Liquid"

4 "Liquid-Liquid"

NumOfRxnComp Number of components NumOfRxnExtent Number of reactions with EXTENT RxnExtentCompIn Component ID for reaction EXTENT

specification RxnExtentBasisIn

Unit type for reaction EXTENT 0 "Weight" 1 "Mole"

GlobalTempApprCalc K Global temperature APPROACH ConvergeTolerCalc Convergence tolerance FibboTolerCalc Convergence tolerance for Fibonacci DropPhaseCalc Elimination criterion of a fluid phase Fixed Component Parameters NumFixedMass No. of comps with fixed rates FixMassCompIn Fixed-amount component ID (input)

FixedMassUnitCalc

Unit flag for fixed-amount components -1 "Percent" 0 "Weight" 1 "Mole"

SIM4ME 84


Equivalent HYSYS Models Parameters Unit Class: [GibbsReactorOpObject] Parameter UOM Description FeedStreams ALIAS x_FeedStream.Stream.AttachmentName



Vapour product stream name


Liquid product stream name


Energy stream name

IsIgnored DutyType VesselPressureSpec DeltaP kPa Pressure drop HeaterType Dummy Parameters The following dummy parameters are included in the configuration file for convenience but are not filled in from the HYSYS XML file.

FLOAT: ReactorDuty //Non-existent - come through as RMISS

FLOAT: IsoDTFeed //Non-existent - come through as RMISS

FLOAT: AdiaTminIn //Non-existant - come through as RMISS

FLOAT: DeltaTemp //Non-existent - come through as RMISS FLOAT: Pressure //Non-existent - come through as RMISS

FLOAT: Temperature //Non-existent - come through as RMISS

FLOAT: AdiaTmaxIn //Non-existant - come through as RMISS

SIM4ME 85


Common Data Base Structure

Parameters

UOM

Class Name: [Gibbs] Parameter Description NumComps Number of componentts NumOfFeeds Number of feed streams NumOfProds Number of product streams MethodSlate Thermo method set name COMPSLATE Component slate FeedStreams Array of feed stream names ProdStreams Array of product stream names ProductStoreData Product stream phases (V/L/M etc.) RxOperType

1 "User Specified Temperature" Reactor operation mode

2 "Adiabatic" 3 "Use Feed Temperature"

RxOperPhase

Reactor Phase flag 1 "Vapor" 2 "Liquid"

PressureFlag 1=PRESSURE; 2=DELTA P; 3=NEITHER NumberOfReactions Number of reactions RxnSetID Array of reaction names RxnID Array of reaction names OutPresCalc kPa Outlet pressure ReactorPresDropCalc kPa Pressure drop OutTempCalc K Outlet temperature ReactorDutyCalc kJ/s Reactor Duty (adiabatic operation) AdiaTmaxIn K Adiabatic Tmax AdiaTminIn K Adiabatic Tmin GlobalTempApprCalc K Global temperature APPROACH ConvergeTolerCalc Convergence tolerance FibboTolerCalc Convergence tolerance for Fibonacci DropPhaseCalc Elimination criterion of a fluid phase

SIM4ME 86


LNG Exchanger

UOM

This section describes the scope and various scenarios of the HYSYS™ LNG Exchanger translation to a PRO/II LNG Exchanger.

Base PRO/II Model – LNG Exchanger Introduction and Usage of the Model LNG exchangers are multi-stream exchangers and these can exchange heat between any number of hot and cold streams. These exchangers are used in cryogenic applications where obtaining a close temperature approach is required. The internal units of measure for PRO/II are mostly in SI units. Parameters Valve Parameter Description

FeedData None

A vector containing the IDs of all of the feed streams. FeedData does not contain specific data such as the temperature, pressure, or composition of the individual streams, only the ID of the stream. In PRO/II the ID can be used to retrieve the stream data block which contains a complete description of the stream.

ProductData None A vector containing the IDs of all of the product streams. See FeedData

TempspecValues K This is an array of specified outlet temperature for each stream.

PressureDrops kPa This is an array of pressure drop in across each stream.

NumSpecValues

This integer indicates the spec provided by user. For pressure spec its value is “0” and for pressure drop spec its value is “1”.

MethodData Thermodynamic method used to solve. Equivalent Hysys Model – LNG Exchanger LNG Exchanger can be configured in HYSYS by defining following parameters:

• Define a stream as hot stream or cold stream • Define pressure drop for each stream • Defining the specifications from among a choice of parameters such as UA, duty,

LMTD, DeltaT, heat balance, heat leak/ heat loss such that the degree of freedom is zero.

SIM4ME 87


Parameters Parameter/Variable Type Description FeedStreams STRINGARRAY Process Feed Stream ProdStreams STRINGARRAY Process Product Stream FluidPkg STRING Fluid Package Selection INTARRAY Selecting a Hot or Cold stream PressureDrops FLOATARRAY Array of pressure drops in the streams


TL LNGHX Parameter

ProII LNGHX Parameters

HYSYS LNGHX Parameters

FeedData FeedStreams ALIAS x_LNGSides.FeedStream.TaggedName ProductData ProdStreams ALIAS x_LNGSides.ProductStream.TaggedName NumSpecValues ProdStreams.size TempspecValues TempspecValues ProdStreams[].Temperature PressureDrops PressureDrops ALIAS x_LNGSides.PressureDrop HotOrColdSide HotOrColdSide ALIAS x_LNGSides.Selection

SIM4ME 88


Mixer This section describes the scope and various scenarios of the PRO/II Mixer translation to the Dynsim Header and ROMeo Mixer and the HYSYS™ Mixer to a PRO/II Mixer.

Base PRO/II Model

An adiabatic flash is performed to determine the outlet temperature and product phases at the specified pressure condition.


Introduction and Usage of the Model Mixer combines two or more feed streams into a single product stream with mixed properties. The mixer unit determines the product phases but cannot split them into different streams.

Parameters

CurrentFeeds The number of feed streams currently attached to the unit CurrentProducts The number of product streams currently attached to the unit

MergedProduct The stream ID of the merged product stream. This is an internal product stream that is used to set the Temperature, Pressure, enthalpy and composition of all product streams

FeedData



TempCalc K

This is the temperature of the mixer product streams and should be identical in value to that of the MergedProduct stream. PRO/II uses this variable to make the product stream temperatures available to other units through the spec/vary/define subsystem. The value is set during the PRO/II flow sheet solve

PressCalc kPa

This variable is similar to TempCalc and should be identical to the pressure of the MergedProduct stream. It may be different from the PressIn parameter, which is set by the user and is not changed by the unit calculations. The PressCalc value is assumed correct and consistent. PressIn should not be used.

PressDropCalc kPa This is the calculated value of pressure drop across the mixer. See TempCalc and PressCalc

DummyI1

A flag which has a value “0” if pressure specification is provided and a value “1” if pressure drop specification is provided

SIM4ME 89


Equivalent Dynsim Model / Models: Header Introduction and Usage of the Model The Header is a pressure node that can be used to model flow mixing, flow splitting, and piping holdup dynamics. Header includes both COMPRESSIBLE and INCOMPRESSIBLE options for holdup dynamics. The INCOMPRESSIBLE dynamics option is the default and can be used for either vapor, liquid or two-phase fluids. The iterated and explicit solution options are available for pressure calculations. The iterated solution option is used for INCOMPRESSIBLE and small volume COMPRESSIBLE systems. The explicit solution option is used for large volume compressible systems and for decoupling large incompressible pressure flow networks. Parameters

UOM

Static Parameters to Database Parameter Description Vol m3 Header volume Area m2 Header surface area Mm kg Header metal mass Uf kW/m2-K Forced convection heat transfer coefficient Ul kW/m2-K Ambient heat loss heat transfer coefficient Un kW/m2-K Natural convection heat transfer coefficient Dia m Header diameter Len m Header length

Parameters to States.dat Parameter UOM Description Z [0]...........Z [i] fraction Composition

H Enthalpy kJ/kg-mol P kPa Pressure UT kJ Total internal energy state MT mol Total moles M[0]… M[i] mol Moles of individual components Qf kJ/sec Heat transferred from fluid to metal Ql kJ/sec Heat transferred from metal to surroundings Qimp kJ/sec Imposed heat Tm K Metal temperature

SIM4ME 90


Equivalent ROMeo Model: Mixer

UOM

Introduction and Usage of Model The Mixer unit operation models the adiabatic mixing of two or more feed streams.

The Mixer model is independent of the number of phases in the feed streams and is used with VLE or VLLE systems. The Mixer model allows multiple feed streams but is restricted to a single product stream. The user input for the Mixer is as follows:

• Pressure of the product stream, or • Pressure drop in the unit with respect to a specified feed stream.

• A component slate and thermodynamic method for the unit.

• The expected phases in the product stream.

Parameters Parameter Description v_Pres kPa Pressure of the product stream leaving the mixer v_PresDrops kPa Pressure drop in product stream with respect to a feed stream

PresChoice Integer for choice of providing specification. The value is “0” if user enters Pres and “1” if user enters Pressure Drop

NegativeDPAction String Parameter to provide Warning/Info/Error for negative DP; Default: Warning

Equivalent HYSYS Model: Mixer Introduction and Usage of Model

The Mixer operation mixes two or more streams to produce a product stream. It also performs a heat and mass balance. If composition, pressure and temperature of all the inlet streams are known, the mixer calculates pressure, temperature and the composition of the outlet stream. Mixer can also back calculate unknown temperature of one inlet stream, if the outlet stream is completely defined and pressures of all the inlet streams are known. Iterative and Explicit solution options are available for pressure calculations. The Iterated solution option is used for INCOMPRESSIBLE and small volume COMPRESSIBLE systems. The Explicit solution option is used for large volume COMPRESSIBLE systems and also for decoupling large INCOMPRESSIBLE pressure flow networks.

SIM4ME 91


Parameters Parameter Type of object Description FeedStreams ALIAS x_FeedStream.Stream.AttachmentName

STRINGARRAY Stream array containing information of the feed stream (name, stream number etc.). FeedStream does not contain specific data such as the temperature, pressure, or composition of the individual streams.

Productstream ProdStreams ALIAS x_ProductStream.AttachmentName

STRINGARRAY Stream containing information of the product stream (name, stream number etc.)

FluidPkg ALIAS FluidPackage.FluidPackage

STRING MethodSlate/CompSlate

PresSpec ALIAS PressureSpecification

2. Mixer calculates outlet pressure equal to minimum of inlet stream pressures.

LONG Pressure calculation option to decide if the 1. Mixer equalizes all inlet pressures if

one of the inlet stream pressures is specified.

Common Data Base Structure – Mixer

Internal Units of Measure for the Common Data Base Structure is in SI units


Units of Measure

Parameters

NumOfFeeds The number of feed streams currently attached to the unit. NumOfProds The number of product streams currently attached to the unit. FeedStreams A vector containing the IDs of all of the feed streams. ProdStreams A vector containing the IDs of all of the product streams. Temparature K Temperature Pressure kPa Pressure SpecFlag Specification flag TotalMoles mol Total moles CompMolesState mol Moles of individual components Volume m3 Volume of Mixer Calculation of Derived Parameter from PRO/II to TL Layer The Mixer in PROII is translated to Header in TLLayer. The TL Header is characterized by volume, total moles, and individual component moles. These parameters are calculated as follows:

SIM4ME 92


][.][.

./.



⋅=⋅=

⋅=

Calculation of Derived Parameter from TL to Dynsim Layer

)/7760(

/4

/

3

3

mkgDensityDensityHeightThicknessDiameterMassMetal


DiameterRatioDHLengthHeightDiameterArea

=

⋅⋅⋅⋅=

⋅⋅

=

⋅=⋅⋅=

ππ

π

Calculation of Derived Parameter from TL to ROMeo Layer There is no derived parameter calculation for translation from TL to ROMeo layer mapping.

SIM4ME 93


Pipe This document describes the scope and various scenarios of the PRO/II Pipe translation to the Dynsim and ROMeo Pipe and the HYSYS™ Pipe to a PRO/II Pipe. Base PRO/II Model Introduction and Usage of the Model

The pipe unit operation calculates single (liquid or gas) or mixed phase pressure drops through piping between unit operations. It can also determine the line size required for a given maximum pressure drop or minimum outlet pressure.

igorous heatR transfer may be considered during the calculations, where heat may be added to the gth (representing a furnace), or lost to the ambient surroundings, allowing the

f wn the pipe. By default, no heat transfer is considered in the calculations. Parameters

Parameter UOM

pipe over its lenluid to cool as it flows do

Description

CurrentFeeds

The number of feed streams currently attached to the unit. Since Pipe is a flow device in Dynsim with only one input stream, a Header is added at the upstream if the value of this parameter is >= 2

CurrentProducts

The number of product streams currently attached to the one unit. Since Pipe is a flow device in Dynsim with only

output stream, a Drum is added at the downstream, to account for phase separation, if there is more than one product stream.

MergedFeed The stream ID of the merged feed stream. This is an internal feed stream that is used to set the Temperature, Pressure, enthalpy and composition of all feed streams

MergedProduct The stream ID of the merged feed stream. This is an internal feed stream that is used to set the Temperature, Pressure, enthalpy and composition of all product streams

FeedData

A vector containing the IDs of all of the feed streams. FeedData does not contain specific data such as the temperature, pressure, or composition of the individual streams, only the ID of the stream. In PRO/II the ID can beused to retrieve

the stream data block which contains a

complete description of the stream


SIM4ME 94



ProductStoreData A vector containing the product phases corresponding to each of the product stream.

OutletTempCalc K

variable to make the product

g the

This is the temperature of the Pipe product streams and should be identical in value to that of the MergedProductstream. PRO/II uses this stream temperatures available to other units through thespec/vary/define subsystem. The value is set durinPRO/II flowsheet solve

OutletPressCalc kPa e user and is not be

nsistent value. PressOutletIn

This variable should be identical to the pressure of the MergedProd stream. It may be different from the PressOutletIn parameter, which is set by thchanged by the unit calculations. PressOutCalc shouldassumed to be a correct and coshould not be used. See TempOutletCalc

TotalUnitDPCalc kPa This is the pressure drop across the Pipe. It is used insizing of

the Pipe in Dynsim

LineInsideDiamCalc mm Inside diameter of the pipe. It is used in Holdup, Surface area of heat transfer and metal mass calculations in Dynsim

LineLengthCalc m t metal mass calculations in Dynsim

Pipe line length. . It is used in Holdup, Surface area of heatransfer and

HeatDutyCalc kJ Calculated value of Heat Duty. In the case of Ambient heat

er transfer, it is used in determining the overall heat transfcoefficient

HeatTransfCoef kW/h.m2.K gs.Heat Transfer Coefficient between Pipe and surroundin

AmbientTemperature K nt temperature used in the ambient heat transfer Ambiecalculations.

PipeCalcMode

n mode specified in PRO-II

2 – Ambient Heat Transfer pressure drop calculation.

Pro-II the products

It represents the calculatioPipe. 0 – Fixed Duty 1 – Isothermal Operation

3 – BackwardIt is used in mapping the specs from

PROII Stream UOM Description BulkPres kPa Merged inlet feed stream pressure BulkTemp K Merged inlet feed stream temperature

TotalComposition postion and SolidComposition. If two liquid fraction

The bulk composition of the feed streams. Other compositions are given by VaporComposition, LiquidComphases exist, LiquidComposition is the bulk composition of

ise, it is simply the composition othe liquid phase. Otherw f the liquid

BulkEnthalpy kJ/kg-mol lpy Merged feed total enthaVaporFraction fraction Stream Vapor fraction LiquidFraction Stream Liquid1 fraction fraction WaterFraction fraction Stream Water fraction

SIM4ME 95


PROII Stream UOM Description

SolidFraction has a positive non-zero value, solids are present. This should be flagged as an error condition. fraction Stream Solids. If it

BulkMw Bulk Molecular weight BulkDensity kg-mol/m Bulk molar density 3

Equivalent Dynsim Model / Models: Header – Pipe - Drum

pe geometry. The Pipe also supports Sonic flow. It has ptions to perform outlet flash and holdup calculations. It accounts for heat transfer from fluid to

be onfigured through Heat Streams.

ll streams and sending a single MergedFeed to Flow Device.

r the phase separation and streams are connected to various ports based on the roduct phase specifications.

s

ic Parameters to Data e meter UOM

Introduction and Usage of the Model The Pipe model is a flow object that is used to model flow calculations in pipes. The flow through a pipe is calculated by using flow conductivity equation. The flow conductance can be a user input or calculated from the Piopipe and pipe to surroundings. Heat transfer from an external source to the fluid or metal canc Header is used for mixing up a Drum is used fop Parameter Stat basPara Description J (kg/sec)/sqrt(kPa-kg/m3) tivity Flow conducVol m3 Volume Area m2 Surface area of heat transfer Mm kg Metal mass HoldupFlag Holdup flag Tamb K Ambient temperature Ul kW/m2-K Loss heat transfer coefficient

Uf kW/m2-K

vection heat transfer oefficient between the fluid

Forced concflowing inside the Pipe and the Pipe wall.

Un -K

vection heat transfer

flowing inside the Pipe and the pipe wall.

kW/m2

Natural concoefficient between the fluid

QIMP kJ/sec Heat duty to or from the pipe.

SIM4ME 96


Parameters to States.dat Parameter UOM Description

QF kJ/sec Heat loss from fluid lowing inside the pipe to the metal wall

QL kJ/sec Heat loss from the metal wall to the surroundings.

H kJ/kg-mol Specific enthalpy state TM K Metal temperature Z fraction Specific composition state DH kJ/kg-mol/sec Specific enthalpy derivative DTM K/sec Metal temperature derivative DZ fraction/sec Specific composition derivative Equivalent ROMeo Model / Models – Pipe Introduction and Usage of the Model The ROMeo Simple Pipe unit operation models pressure drop through a pipe resulting from flow or a change in elevation and heat loss to the surroundings. Pressure drop is calculated using either an analytical equation or an empirical correlation. The model is simple (non-rigorous) in the sense that temperature- and pressure-dependent changes in the physical properties of the fluid are not considered in the calculations. Parameters Parameter UOM Description HeatLossSpec Heat Loss specification in ROMeo like: “Duty”,

“TempChange”, “Temp” Pres kPa Pipe Outlet Pressure PresDrop kPa Pressure drop across pipe. Duty kJ/sec Heat duty to or from Pipe DeltaTemp K Temperature change across Pipe. Temp K Pipe Outlet Temperature PresM kPa Pipe Outlet pressure dpm fraction Set to 1.0. HeatLossSpecVar Points to the currently selected Heat Loss Specification

Variable PresChoice Pressure specification in ROMeo:

0 - for Fixed Pressure 1 - for Pressure Drop.

SIM4ME 97


Equivalent HYSYS Model / Models – Pipe Introduction and Usage of the Model HYSYS™ Pipe Segment: The HYSYS™ Pipe Segment unit operation models pressure drop through an entire pipeline with fittings, bends, swages and it can accommodate multiple segments. Pressure changes through the pipeline due to elevation changes and heat loss to the surroundings can be calculated. Pressure drop is calculated using empirical correlations available. The model is rigorous because the temperature and pressure dependent physical properties of the fluid are considered in the calculations. HYSYS™ Gas Pipe: This is used specifically for compressible fluids. The correlation options are Perfect Gas, Compressible Gas and User Data. Since there are no equivalent for either Perfect Gas or Compressible Gas in PRO/II, these correlations are mapped to the Beggs-Brill-Moody in PRO/II, as it has proved to be for single-phase systems. PRO/II does not have an option to support User Data.

The heat transfer calculation option in HYSYS™ is: Ambient Heat Loss from given Ambient Temperature and Heat transfer coefficient. Heat transfer calculations are done in the same manner in the translated PRO/II model. Parameters Parameter UOM Type Description FeedStreams

StringArray Array of the names of Feed streams attached to the pipe.

ProdStreams

StringArray Array of the names of Product streams attached to the pipe.

HeatStream String Name of the Heat stream attached to the Pipe.

PressGradCorrelationName

String Pressure drop correlation used in the pipe calculations

SpecifyHTType

Flag that indicates the type of Heat transfer calculation done by HYSYS

IsIgnored

Flag that indicates if the calculation on Pipe unit was bypassed by HYSYS.

IncludeInsulation

Flag that indicates if insulation was included in HYSYS heat transfer calculations.

PressureDrop

kPa Float Pressure drop across the pipe

OverallAmbientTemp

C Float Overall Ambient Temperature across all pipe segments

OverallHTCoeff

kW/m2C Float Overall heat transfer coefficient across all the pipe segments

SegmentLength M Float Array This array stores the length of each segment in the Pipe.

SegmentElev m Float Array This array stores the Elevation change of each segment in the Pipe.

SIM4ME 98


Parameter UOM Type Description SegmentID M Float Array This array stores the Internal Diameter

of each segment in the Pipe. SegmentOD M Float Array This array stores the Outer Diameter of

each segment in the Pipe. SegmentCells Float Array This array stores the Cells of each

segment in the Pipe. HYSYS performs pressure calculations at each such cell.

SegmentPipeMatl String Array

This array stores the Pipe Material of each segment in the Pipe.

SegmentSchedule String Array

This array stores the Schedule Number of each segment in the Pipe.

SegmentSegmentType Float Array This array stores the Type of each segment in the Pipe. It could be :”Pipe”, ”Swage” or a Fitting”.

SegmentRoughness m Float Array This array stores the Roughness of each segment in the Pipe.

SegmentWallK Float Array This array stores the thermal conductivity of each segment in the Pipe.

SegmentAmbientTemp C Float Array This array stores the Ambient Temp of each segment in the Pipe.

SegmentPipeHTC kW/m2.C Float Array This array stores the Heat Transfer Coefficient of each segment in the Pipe.

SegmentFittingID m Float Array This array stores the Fitting Inner Diameter of each segment if it is defined as a fitting.

SegmentFittingVHFactor Float Array This array stores the Fitting friction factor of each segment if it is defined as a fitting.

SegmentFittingFTFactor Float Array This array stores the Fitting friction factor of each segment if it is defined as a fitting.

SegmentNominalDiameter m Float Array This array stores the Nominal diameter of each segment.

SegmentSwageID m Float Array This array stores the SwageID of each segment.

FluidPkg

String The name of the Fluid package associated witht the Pipe unit

SIM4ME 99


Common Data Base Structure – Pipe Parameter UOM Description NumOfFeeds Number of Feed streams from Pipe NumOfProds Number of products from Pipe NumOfComps Number of Components FeedStreams Array containing the IDs of the Feed Streams to Pipe

ProdStreams Array containing the IDs of the Product Streams from Pipe

Temperature K Pipe outlet Temperature Pressure kPa Pipe outlet pressure

TemperatureChange K Temperature difference between Inlet and Outlet of the Pipe.

P2PressureDrop kPa Pressure Drop across the Pipe AmbientTemperature K Stores the Ambient Temperature. Used for DynSim MetalTemperature K Metal temperature of Pipe. Used for DynSim

UNaturalConvection kW Natural convection Heat Transfer coefficient. Used for DynSim

MassFlow kg/sec Mass flow through the Pipe MolarFlow kg-mol/sec Molar flow through the Pipe

FlowConductance Flow Coductance of the Pipe. It is a calculated value used in DynSim

Volume m3 Volume of Pipe used in DynSim Area m2 Area of Pipe used in DynSim

MetalMass kg Metal mass of Pipe used in DynSim to calculate heat transfer from Pipe metal wall.

UAmbientLoss kW/m2-K Heat transfer coefficient from Pipe to surroundings

UForcedConvection kW/m2-K Forced heat transfer coefficient between the fluid flowing inside the Pipe and the Pipe metal.

HeatDuty kW Heat Duty to or from Pipe. COMPSLATE Component Slate MethodSlate Method Slate

PipeCalcMode Used for mapping the specification of Pipe calculation Mode from PRO-II to the destination products.

LowPDFlag Flag used to check if the pressure drop across the Pipe is lower than 0.0001 kPa. This is required for DynSim

ProductStoreData This passes the Phase information of the product streams.

SqrtDP Stores the calculated value of the square root of pressure drop. This is used for DynSim.

HoldupFlag This is used for DynSim Column holdup. Stream Parameters

CompMoleFraction fraction Array storing the component mole fractions of the stream.

TotalMoles kg-mol Stores the total number of moles in the stream SpecificEnthalpy Stream specific enthalpy. VaporFraction fraction Stream Vapor fraction

SIM4ME 100


Parameter UOM Description LiquidFraction fraction Stream Liquid fraction WaterFraction fraction Stream Water fraction Mw kg/kg-mol Stream Molecular Fraction MolarDensity kg-mol/m3 Stream molar density The merged feed stream is used to update the properties (states.dat) of the upstream Header in case there is more than one feed stream to the Pro/II Pipe. The merged product stream is used to initialize the exit flash (states.dat) of the Dynsim Pipe and the Drum in case there is more than one product stream from Pro/II Pipe. Calculation of Derived Parameter from PRO/II to TL Layer

Pipe Sizing The Pipe flow conductance is calculated as follows

MwMergedFeedDensityMergedFeedP

FlowMergedFeedJ.

..

∗∆∗=

Pipe Geometry

)/7760(

4

3

2

mkgDensityDensityThicknessLengthDiameterMm

LengthDiameterArea

LengthDiameterVolume

=

∗∗∗∗=∗∗=

∗∗

=

ππ

π

Pipe Heat Transfer Heat transfer in Dynsim pipe is configured based on the flag PipeCalcMode (Pipe Calculation Mode).

The Imposed/Isothermal heat duty is configured through the parameter Qimp in Dynsim. No heat transfer to ambient is considered in this case.

HeatDutyQimp = Pipe Calculation Mode = 2 (Ambient Heat Loss)

SIM4ME 101


At steady state, heat transfer from fluid to metal is equal to heat transfer from metal to ambient.

HeatDutyTTAreaUTTAreaW

WU MetalAmbientLFluidMetalf

f =−∗∗=−∗∗⎟⎟⎠

⎞⎜⎜⎝

⎛∗ )()(

8.0

Re

Assumptions

•

•

W = WRef (Use steady state mass flow)

UL = 0.01 (We expect the heat transfer coefficient for heat transfer from metal to ambient will be more or less constant in most of the cases.)

Calculations

• Calculate Tmetal (metal temperature) from the heat loss to ambient equation

• Calculate Uf (forced convection heat transfer coefficient), using heat transfer from fluid to metal equation.

Pipe Calculation Mode = 3 (Backward pressure calculation) This is not supported in Dynsim. Error message has to be flagged in this case. Validate Feeds When there are multiple inputs to the PRO/II Pipe, Header is added in the TL layer to set single mixed input to the Dynsim Pipe. The TLHeader is characterized by volume, total moles, and individual component moles. These parameters are calculated as follows:

][.][.

./.



⋅=⋅=

⋅=

Validate Products When there is more than one product stream from the Pipe, a Drum is inserted at the downstream to account for phase separation. Molar Density The molar density of the stream in TL Layer is calculated as follows

BulkMwyBulkDensittyMolarDensi /=

SIM4ME 102


Calculation of Derived Parameter from TL to Dynsim Layer When TLHeader is translated to DSHeader additional parameters like area of heat transfer and metal mass should be calculated. The DSHeader Area and Mm (MetalMass) are calculated as follows:

)/7760(

//4

3

3

mkgDensityDensityHeightThicknessDiameterMm



=

⋅⋅⋅⋅=⋅⋅=⋅=

⋅⋅

=

ππ

π

SIM4ME 103


Plug Flow Reactor This topic describes the scope and various scenarios of the PRO/II and HYSYS™ Plug Flow Reactor translation. ROMeo and Dynsim at present do not support Plug Flow reactors translation. Currently only the basic modes of operation are handled by the HYSYS™ to PRO/II translation. Base PRO/II Model Introduction and Usage of the Model The CSTR module simulates a tubular reactor exhibiting plug flow behaviour i.e. no axial mixing or heat transfer. It assumes that the stirring results in perfect mixing. The module may operate in adiabatic mode with or without heat duty specified, or in thermal mode with either a specified temperature or temperature profile. Normally, the reaction stoichiometry, heat of reaction data and reaction kinetics are taken from a reaction set in the Reaction Data Section. However, certain options that are currently not supported by the translator are:

• Override data in the reactor unit • Supply data to an external heating or cooling medium.

Parameters Reactor Operation Parameters Unit Class: [Plug] Parameter UOM Description UnitName Unit Description CurrentFeeds Number of Feed streams CurrentProducts Number of Product streams CurrentPseudoProds MergedFeed Merged feed stream MergedProduct Merged product stream MethodData Thermo method set name ~COMPSLATE Component slate FeedData Names of feed streams ProductData Names of product streams PseudoProdData ProductStoreData Phases of product streams (V/L/M etc.) FeedHolderData ProductHolderData RxOperTypeCalc

Reactor operation mode 1=THERMAL; 2=ADIABATIC; 3=COCURRENT; 4=COUNTERCURRENT

SIM4ME 104


Parameter UOM Description RxOperPhaseCalc Operating Phase

1=VAPOUR; 2=LIQUID PressureFlag

1=PRESSURE; 2=DELTA P; 3=NEITHER

NumberOfReactions Number of reactions CompBasisFlag

Reaction rate equation basis 1 "Concentration" 2 "Partial Pressure" 3 "Fugacity" 4 "Activity"

RungeKuttaOption 1=RungeKutta Steps(Default) 2=RungeKutta Step Size

RungeKuttaSteps Number of steps BaseCompNumbers Array of Base Component Numbers (index

into component slate) BaseCompIDIn Array of base component names RxnSetID Reaction set ID RxnID Array of reaction names CompID Component ID's that correspond to

component data input PresCalc kPa outlet pressure TempCalc K outlet temperature DutyCalc kJ/sec Reactor duty (adiabatic operation) DiamCalc mm Tube Diameter LengthCalc M Tube Length TubesCalc Number of tubes RxPresInFlag

Reactor Inlet Pressure Flag... 1 = Use Feed P (Default) 2 = Use Input PIN 3 = Use Feed Pressure - DPIN

PresDropCalc kPa Pressure Drop RxPresOutFlag

Reactor Outlet Pressure Flag... 1 = Use Inlet P (Default) 2 = Use Input POUT 3 = Use Inlet Pressure - DP

IsoTempInFlag

Temp. Input for Isothermal... 0 = Not input (Default) 1 = Temperature input

IntMethodFlag

Integration Method Flag 1 = Runge Kutta (Default) 2 = Gear 3 = LSODA

InPresCalc kPa inlet pressure IntCalcTol Gear Tolerance

SIM4ME 105


Reaction Data Parameters Parameter UOM Description ActivationEnergy Activation Energies PexpFactors Preexponential Factors TexponentsCalc Reaction exponent PexpWtUOM Preexponential Factor WT UOM Qualifier PexpLiqvUOM Preexponential Factor LIQV UOM Qualifier PexpPresUOM Preexponential Factor PRES UOM Qualifier PexpTempUOM Preexponential Factor TEMP UOM QualifierPexpTimeUOM Preexponential Factor TIME UOM Qualifier Profile Parameters Parameter UOM Description PProfileFlag Pressure PROFILE input ? 0=No; 1=Yes PProfileLocFlag Pressure PROFILE Length basis 0=Actual;

1=Fraction; 2=Percent TProfileFlag Temp PROFILE input ?

0=No; 1=Yes TProfileLocFlag

Temp PROFILE Length basis 0=Actual; 1=Fraction; 2=Percent

ProfilePoints Number of profile points PresProfPoints

Number of Points in Pressure Profile 0= Feed Pressure (No Profile) N= No. of PProfile locations input

TempProfPoints

Temperature Profile Points 0= Feed Temp (No Profile) N= No. of TProfile locations input

TempProfile K Input Temperature Profile TempProfLocs M/None Locations at which Temp. input PresProfile kPa Input Pressure Profile PresProfLocs M/None Locations at which Pressure input Equivalent HYSYS Models Parameters Unit Class: [PFReactorOpObject] Parameter UOM Description FeedStreams ALIAS x_FeedStream.AttachmentName


ProdStreams ALIAS x_ProductStream.AttachmentName

Array of product stream names

ReactionSet ALIAS ReactionSet.AttachmentName Reaction set name

SIM4ME 106


Parameter UOM Description Energy ALIAS EnergyStream.AttachmentName

Energy stream name

UseFixedPressureDrop IsIgnored DeltaPType VesselPressureSpec DeltaP kPa Pressure drop TubeLength m Tube length TubeDiameter m Tube diameter NumberOfTubes Number of tubes TubeWallThickness m Tube wall thickness Dummy Parameters The following dummy parameters are included in the configuration file for convenience but are not filled in from the HYSYS XML file. FLOAT: DeltaTemp //Non-existent - come through as RMISS FLOAT: Pressure //Non-existent - come through as RMISS FLOAT: ReactorDuty //Non-existent - come through as RMISS FLOAT: Temperature //Non-existent - come through as RMISS FLOAT: IsoDTFeed //Non-existent - come through as RMISS Common Data Base Structure Parameters Class Name: [Plug] Parameter UOM Description NumComps Number of componentts NumOfFeeds Number of feed streams NumOfProds Number of product streams MethodSlate Thermo method set name COMPSLATE Component slate FeedStreams Array of feed stream names ProdStreams Array of product stream names ProductStoreData Product stream phases (V/L/M etc.) RxOperType Reactor operation mode

1 "User Specified Temperature" 2 "Adiabatic" 3 "Use Feed Temperature" 4 "Fixed Volume" (allowed only for boiling)

RxOperPhase

Reactor Phase flag (Note "3" is not used) 1 "Vapor" 2 "Liquid"

SIM4ME 107


Parameter UOM Description 4 "Boiling Pot Reactor"

PressureFlag 1=PRESSURE; 2=DELTA P; 3=NEITHER NumberOfReactions Number of reactions CompBasisFlag 1=Concentration; 2=Partial Pressure;

3=Vapour Fugacity; 4=Liquid Fugacity RxnSetID Array of reaction names BaseCompNumbers Array of Base Component Numbers (index

into component slate) RxnID Array of reaction names OutPresCalc kPa Outlet pressure ReactorPresDropCalc kPa Pressure drop OutTempCalc K Outlet temperature ReactorDutyCalc kJ/s Reactor Duty (adiabatic operation) DiamCalc m Tube diameter LengthCalc m Tube length TubesCalc Number of tubes IntCalcTol Gear Tolerance IntMethodFlag Integration Method flag

2 = Gear 1 = Runge Kutta (Default)

3 = LSODA RungeKuttaOption 1=RungeKutta Steps(Default)

2=RungeKutta Step Size RungeKuttaSteps Number of steps

SIM4ME 108


Pump This topic describes the scope and various scenarios of a PRO/II Pump translation to the equivalent Dynsim, ROMeo and HYSYS™ models. Base PRO/II Model Introduction and Usage of the Model The pump unit increases the pressure of an incompressible fluid flowing through a pipe. PRO/II calculates the resulting temperature change and the work required to accomplish this.

P

OM Description

arameters

Parameter UCurrentFeeds The number of feed streams currently attached to the unit CurrentProducts The number of product streams currently attached to the unit

MergedFeed The stream ID of the merged feed stream. This is an internal feed stream that is used to set the Temperature, Pressure, enthalpy and composition of all feed streams


FeedData



TempCalc K

This is the temperature of the pump product streams and should be identical in value to that of the MergedProduct stream. PRO/II uses this variable to make the product stream temperatures available to other units through the spec/vary/define subsystem. The value is set during the PRO/II flow sheet solve

PressCalc kPa

This variable should be identical to the pressure of the MergedProduct stream. It may be different from the PressIn parameter, which is set by the user and is not changed by the unit calculations. The PressCalc value is assumed correct and consistent. PressIn should not be used. See TempCalc

FlowInletCalc m /sec Calculated inlet flow is the net inlet flow. It is used in setting up the default performance curve for pump

3

SIM4ME 109



HeadCalc m Calculated value of the head across the pump. It is used in setting up the default performance curve for pump

EffCalc Pump efficiency WorkCalc KW Power required

PressInFlg

Pressure specification: Flag 1 for Outlet Pressure,

ure Rise and Flag 3 for Pressure Ratio Flag 2 for Press

PressDropCalc kPa Pressure Rise PressRatioCalc Pressure Ratio

Equivalent Dynsim Model / Models: Header -Pump

ead based on the pressure differential across it. The volumetric flow rate is terpolated from the user provided performance curve based on the calculated head. Power is

p is

he Pump performance is characterized by a Cubic-spline or Linear curve fit and may be ad

eader is used for mixing up all streams and sending a single MergedFeed to Flow Device. s are connected to various ports based on the

roduct phase specifications.

P Static Parameters to Database

Description

Introduction and Usage of the Model The Pump is a flow device that is used to model a centrifugal pump. The Pump calculates the available hincalculated from the user provided efficiency curve. Reverse flow through a shut down pumallowed. Tspecified by either entering three or more points from the manufacturer characteristic curve (hevs. volumetric flow) or entering one design point (head and volumetric flow). HDrum is used for the phase separation and streamp

arameters

Parameter UOM QScale m3/sec ow Volumetric FlDHScale- m Head across pump ETAScale fraction Efficiency SPEED rpm Pump Speed FLASHFLAG Flag to indicate whether the outlet flash should be

performed or not

SIM4ME 110


Parameters to States.dat Parameter UOM Description Q m3/sec Volumetric flow DH m Head ETA fraction Efficiency POWER kW Power SPEED rpm Pump speed

Equivalent ROMeo Model / Models Introduction and Usage of the Model The Pump unit simulates the pumping of a liquid and calculates the associated pressure, enthalpy, and entropy changes. The pump model requires two specifications:

• product stream pressure specification (or a pump work specification from which the outlet pressure can be calculated)

• pump efficiency.

Parameters Parameter UOM Description Pres kPa Pump downstream pressure Head m Head across pump CorrectedVolume ft3/hr Corrected volume. Since FanE and RefSpeedRatio are

1, corrected volume is equal to volumetric flow. Efficiency fraction Pump Efficiency BaselineEff fraction Efficiency at reference speed. Always set to equal to

Efficiency ActualWork kJ/sec Pump Work Speed rps Pump Speed. Set to 60 rps RefSpeed rps Pump Reference speed. Set to 60 rps. PresRise kPa Pressure rise across pump. PresRatio Pressure ratio SpecType Pressure specification type, “OutletPressure”,

“PressureRise”, “PressureRatio”, “Work”, “Head” SpecVar Points to the currently selected Specification Variable FanE Always set to 1 EffOffsetFromBaseline Set to zero IdealWork kJ/sec Ideal Work. Actual work * efficiency EfficiencySelection “Fixed”, “Current_Efficiency”, “Baseline_Efficiency”

Always set to “Fixed” RefSpeedRatio Set to 1.

SIM4ME 111


Equivalent HYSYS Model: Pump Introduction and Usage of the Model The Pump unit models the pumping of a liquid and calculates the associated pressure, enthalpy, and entropy changes. Two specifications are required for the pump model; a pressure specification for the product stream (or a pump work specification from which the outlet pressure can be calculated) and the pump efficiency. Parameters Parameter UOM Type Description IsIgnored LONG Flag to denote if Pump

Calculations were ignored by HYSYS

PumpIsOn LONG Flag to denote if Pump was switched On or OFF in HYSYS

IsCurve ALIAS PolynomialPumpCurve.PumpCurveActive

LONG Flag to denote if Pump Head Vs Flow Curve was used by HYSYS to calculate the Head

FeedStreams ALIAS x_FeedStream.AttachmentName

STRINGARRAYList of Feedstreams attached to the Pump. Always only one since HYSYS Pump is SISO. Still an array is used to preserve generality

ProdStreams ALIAS x_ProductStream. attached to the Pump. Always

only one since HYSYS Pump is SISO. Still an array is used to preserve generality

AttachmentName

STRINGARRAYList of Product treams

AdiabaticEfficiency FLOAT Pump efficiency DeltaP FLOAT Pressure Rise across the PumpPumpEfficiencySpecActive LONG Flag to denote if Pump

Calculations used Efficiency as the specification

PumpDeltaPSpecActive LONG Flag to denote if Pump Calculations used Pressure rise as the specification

PumpHeadSpecActive LONG Flag to denote if Pump Calculations used Pressure rise as the specification

PumpPowerSpecActive LONG Flag to denote if Pump Calculations used Power as the specification

A ALIAS PolynomialPumpCurve.

Polynomial Pump Curve Coefficient

PumpCurveParameterA

FLOAT

B ALIAS FLOAT Polynomial Pump Curve

SIM4ME 112


Parameter UOM Type Description PolynomialPumpCurve. PumpCurveParameterB

Coefficient

CA ALIAS PolynomialPumpCurve. PumpCurveParameterC

FLOAT Polynomial Pump Curve Coefficient

D ALIAS PolynomialPumpCurve.


PumpCurveParameterD

FLOAT

E ALIAS PolynomialPumpCurve. PumpCurveParameterE

FLOAT Polynomial Pump Curve Coefficient

F ALIAS PolynomialPumpCurve. PumpCurveParameterF


FLOAT

Feed ALIAS FeedStream.AttachmentName

STRING

Prod ALIAS ProductStream.AttachmentName

STRING


STRING HYSYS Energy Stream

HeadUnits ALIAS PolynomialPumpCurve.PumpCurveHeadUnits

STRING Head Curve can have different UOM for Head.

FlowUnits ALIAS PolynomialPumpCurve.PumpCurveFlowUnits

STRING Head Curve can have different UOM for Head.

FlowBasis ALIAS PolynomialPumpCurve.PumpCurveFlowBasis

STRING Head Curve can have different Basis for Flow like: Actual Volumetric Flow, Standard Volumetric flow, Molar Flow and Mass Flow.

TypicalOperatingCapacity M3/sec FLOAT Design flow of the Pump Common Data Base Structure – Pump Parameters Parameter UOM Description

NumOfFeeds The number of feed streams currently attached to the unit

NumOfProds The number of product streams currently attached to the unit

FeedStreams A vector containing the IDs of all of the feed streams. ProdStreams A vector containing the IDs of all of the product

SIM4ME 113


Parameter UOM Description streams.

Temparature K Pressure kPa Head kJ/kg VolFlow m3/hr Efficiency fraction Power Volume m3 TotalMoles mol CompMolesState mol Vector containing the moles of individual components Speed rps PressureRise PressureRatio PressSpec

Calculation of Derived Parameter from PRO/II to TL Layer When there are multiple inputs to the PRO/II pump, a header is added in the TL layer to set single mixed input to the pump. The TLHeader is characterized by volume, total moles, and individual component moles. These parameters are calculated as follows:

][.][.

./.



⋅=⋅=

⋅=

Calculation of Derived Parameter from TL to DynSim Layer

When TLHeader is translated to DS header additional parameters like area of heat transfer and metal mass should be calculated. The DSHeader parameters are calculated as follows

)/7760(.

//4

3

3

mkgDensitytyMolarDensiMergedFeedHeightThicknessDiameterMassMetal



=

⋅⋅⋅⋅=⋅⋅=⋅=

⋅⋅

=

ππ

π

Calculation of Pump pressure rise from Head Curve.

Head = A+B*FLOW+C*FLOW**2+D*FLOW**3+E*FLOW**4+F*FLOW**5

Pump Head vs. Flow Curve can be specified in the source product like HYSYS™ in the form of the relation:

SIM4ME 114


PRO/II does not have provision to add Pump curves. Hence, the pressure rise across the Pump has to be calculated for the head curve and set in PRO/II Pump as specification.

What is done is that a Calculator unit is added in PRO/II and the pressure drop is calculated from the following equation:

R1= (C1+C2*P1+C3*P1**2+C4*P1**3+C5*P1**4+C6**5) *P2*9.8/100.0

where:

P1 = Feed flow rate

However, in the source file, only the curve coefficients A, B…F are available. The flow need not be available always as it might be a calculated value. In that case, the calculation of Head is not possible to be done during translation.

C1, C2, C3…C6 are nothing but the Curve coefficients A, B, C… F

P2 = Feed Liquid Density The coefficients are not currently mapped into PRO/II. Also, the UOM of Head and Flow are not mapped. The user has to manually add the coefficients and the calculator unit will automatically set the calculated pressure rise as the specification in the Pump. Calculation of Pump pressure rise from Pump Duty Pump Duty can be specified in source product like HYSYS™. PRO/II does not have an equivalent specification. So, the pressure rise has to be calculated from the specified Duty and set as specification for the PRO/II Pump. The relation for Duty is: Duty = (Q * DeltaP) / efficiency However, in the source file, only the duty is specified. The flow need not be available always as it might be a calculated value. In that case, the calculation of Pressure rise is not possible to be done during translation. What is done is that a Calculator unit is added in PRO/II and the pressure drop is calculated from the equation for duty:

R1 = (C1*C2) / P1 where: C1 = Pump Efficiency C2 = Feed Flow rate R1 = Delta P calculated Both Pump efficiency and Duty are mapped from the source and the calculator sets the calculated pressure rise as specification in Pump. Calculation of Derived Parameter from TL to ROMeo Layer There is no derived parameter calculation for translation from TL to ROMeo layer mapping

SIM4ME 115


Reset This topic describes the scope and various scenarios of the PRO/II Reset translation to the equivalent Dynsim, ROMeo and HYSYS™ models. Base Pro II Model Introduction and Usage of the Model The purpose of the RESET unit is to allow the user to reset the enthalpy data of the product stream using the thermodynamic method specified for the unit. The Reset unit performs orderly transition from one enthalpy basis to the next. This avoids calculation difficulties that otherwise would arise due to discontinuity in the enthalpy data. Parameters Parameter UOM Description

CurrentFeeds The number of feed streams currently attached to the unit.

CurrentProducts The number of product streams currently attached to the unit.

FeedData

A vector containing the IDs of all the feed streams. FeedData does not contain specific data such as the temperature, pressure, or composition of the individual streams, but only the ID of the stream. In PRO/II, the ID can be used to retrieve the stream data block that contains a complete description of the stream.


MethodData Downstream thermodynamic method FirstFeed Index into FeedData locating first feed to each side FirstProduct Index into FeedData locating last feed to each side

LastFeed Index into ProductData locating first product to each side

LastProduct Index into ProductData locating last product to each side

IParamDataCalc

3- Vapor fraction

Index locating the variable selected, which is used in flash calculations 1- Temperature 2- Enthalpy

SIM4ME 116


Equivalent DynSim Model / Models – SlateChange Introduction and Usage of the Model The SlateChange is a flow device that can be used to model black box reactors, to lump or delump components, or to just change the thermodynamic method sate. Specifying an entirely different component and method slate for product and feed is possible in the SlateChange model. Parameters Static Parameters to Database Parameter UOM Description J (kg/sec)/sqrt(kPa-kg/m3) Flow conductivity ProdMethodSlate Product method slate Equivalent ROMeo Model / Models – BasisChanger Introduction and Usage of the Model The BasisChanger unit is used to connect unit operations having different thermodynamic method slates. This unit helps in smooth transition from one thermodynamic method slate to another. Parameters Static Parameters to ROMeo Database: Parameter UOM Description Pres kPa Pressure in the exit stream PresDrop kPa Pressure drop across the unit Duty kJ/hr Heat that has to be supplied to the input streams Temp K Temperature of the exit stream LiqFrac Liquid fraction in the exit stream VapFrac Vapour fraction in the exit stream TempDiff K Temperature difference across the unit

PhaseReq Not available Spec1 String value indicating the flash specification:

TemperatureDiff FeedTemperature BubblePoint DewPoint VaporFraction Duty PressureDrop Pressure

SIM4ME 117


Spec2 String value indicating the flash specification:

TemperatureDiff Temperature BubblePoint DewPoint PressureDrop Pressure Adiabatic VaporFraction FeedTemperature

In the above ROMeo parameter table, the parameter values present in the description column having bold letters are the only possible ones that could be assigned during the

nslation. For example, in the RESET tra model of PRO/II, one specification is pressure drop is p.

– Stream Cutter

ject that allows user to switch the fluid package of a stream

Hysys us fe)

• VF-T Flash (Vf – Temperature) • VF-P Flash (Vf – Pressure)

riable Type

zero. Hence, the Spec1 has the value PressureDro Equivalent Hysys Model Introduction of the Model Hysy Cutter is an obs Streamanywhere in the flowsheet.

es ollowing transfer basis:

r• T-P Flash (Temperature – Pressu• P-H Flash (Pressure – Enthalpy)

Parameters Parameter/Va Description FeedStreams StringArray Feed Stream ProdStreams StringArray Product Stream TransitionName STRING Name of Transition TransitionType STRING Type of transition (Fluid Package) ForwardMap STRING Downstream Unit Name BackwardMap STRING Upstream Unit Name TransferBasis STRING Transfer Basis IsIgnored LONG Not included in calculation flag

SIM4ME 118


Parameters

Dynsim


ProII Parameters TL Parameter ROMeo

CurrentFeeds NumOfFeeds CurrentProducts NumOfProds FeedData FeedStreams FeedStream FeedStream ProductData ProdStreams ProdStream ProdStream FirstFeed FirstProduct LastFeed LastProduct MethodData ProdMethodSlate ProdMethodSlate

IParamDataCalc TLIParamDataCalc Spec2 TransferBasis

Pres PresDrop Temp TempDiff Duty LiqFrac VapFrac Calculation of Derived Parameter from PRO/II to TL Layer Sizing

The flow conductance is calculated as follows:

MwFeedDensityP

FlowJ.

∗∆∗=

Pro/II reset unit does not account for pressure drop and performs the flash at upstream pressure as against the SlateChange that uses the downstream pressure in flash calculation. To reset the downstream properties, it is desired that the pressure drop across SlateChange is small. SlateChange is sized for a pressure drop of 1kPa Validate Feeds and Products Though the ProII reset unit is mapped to a flow device in Dynsim, as there can be only one input and one output stream for Pro/II Reset unit, no extra units will be added during translation.

SIM4ME 119


Calculation of Derived Parameter from TL to DynSim Layer There are no calculations of parameters in this layer Calculation of Derived Parameter from TL to ROMeo Layer The ROMeo variables are mapped from the stream property values present in the TL layer: Temperature = ProdStreams[0].Temperature TempDiff = FeedStreams [0].Temperature - ProdStreams[0].Temperature Duty = (ProdStreams[0].TotalMolarEnthalpy - FeedStreams [0]. TotalMolarEnthalpy) Duty = ($Target.Duty)*(FeedStreams [0].TotalMolarRate) Pres = FeedStreams [0].Pressure

SIM4ME 120


Reaction Set This topic describes the scope and various scenarios of the HYSYS™ Reaction Set translation to the equivalent PRO/II model. Base Pro II Model

RxnSet Parameters

Introduction and Usage of the Model PRO/II allows users to define sets of chemical reactions. These reaction sets can be used in reactor unit operations and reactive distillation columns. Any number of reaction sets may be defined. Each set may include any number of reactions. For each reaction, stoichiometric data, heat of reaction data, kinetics data, equilibrium data, etc., may be supplied. Please refer to the PRO/II Reference Manual for details on the various features and usage. Parameters

RxnSet Parameter UOM Description KineTypeFlagCalc Kinetic rate calculation method NumReactions Number of reactions ReactionID Reaction components RxSetDescription Reaction set description Reaction Parameters Reaction Parameter UOM Description NumRxnComps Number of reaction data components CompID Component IDs StoichCoeffCalc Stoichiometric coefficients RxnDefFormat Reaction display format ReactionDescription Reaction description (formula, name) HeatOfRxnOption Heat of reaction option (calculated, user-specified)HeatOfRxnCalc kJ/kg-mol Heat of reaction HRxnRefCompIDCalc Heat of reaction ref component HeatRxnRefTempCalc K Heat of reaction ref temperature HeatRxnRefPhaseCalc Heat of reaction ref phase EquDataFlag Define equilibrium data flag EquCoeffCalc Equilibrium coefficients A, B, C, D, E, F, G EquRxnPhaseDfltCalc Equilibrium reaction default phase EquLiqConcBasisCalc Equilibrium reaction liquid conc basis EquVapConcBasisCalc Equilibrium reaction vapor conc basis EquExponentCalc Equilibrium activity exponents EquCompPhaseCalc Equilibrium data component reaction phases EquilCoeffsTempUOM Temperature UOM for equilibrium coefficients

SIM4ME 121


Reaction Parameter UOM Description EquWeightUOM Weight UOM for equilibrium constant EquVolumeUOM Volume UOM for equilibrium constant EquPresUOM Pressure UOM for equilibrium constant KinDataFlag Define kinetic data flag KinPexpFactorCalc Pre-exponential factor KinActiEnergyCalc kJ/kg-mol Activation energy KinTempExpCalc Temperature exponent KinRxnPhaseDfltCalc Kinetic default reaction phase KinLiqConcBasisCalc Kinetic reaction liquid conc basis KinVapConcBasisCalc Kinetic reaction vapor conc basis KinExponentCalc Kinetic exponents (reaction orders) KinCompPhaseCalc Kinetic data component reaction phases PexpTempUOM Temperature UOM for pexp PexpWeightUOM Weight UOM for pexp PexpVolumeUOM Volume UOM for pexp PexpPresUOM Pressure UOM for pexp PexpTimeUOM Time UOM for pexp Equivalent DynSim Model / Models Translation of Reaction Sets and Reactions to Dynsim has not yet been implemented. Equivalent ROMeo Model / Models ROMeo does not support reaction sets and reaction specifications at the flowsheet level. If a reaction set is detected during translation, a warning message will be issued to that effect. In ROMeo, reactions are specified within individual reactors. If the reactors require any information from the reaction set or reaction data, the translator will update the reactors with that data. Equivalent HYSYS Models Introduction and Usage of the Model Reaction Types In PRO/II, a reaction may contain all of the necessary data for any type of reaction: Equilibrium, Kinetic, Conversion, etc. However, in HYSYS™, a reaction is always of one type only and the reaction parameters data will be present for one of the reaction types as signified by the “ReactionType” parameter. For a single kinetic reaction, HYSYS™ allows the specification of individual rate expressions for the forward and reverse reactions (at equilibrium, the rates would be equal). However, the reverse reaction data is currently not supported in the TL and PRO/II layers. In HYSYS™, some of the data pertaining to a reaction (e.g. Conversion for a conversion reaction) is specified in the reaction data rather than in a unit operation that uses the reaction. In HYSYS™, the data for a particular reaction type is reported in the XML file of the unit operation,

SIM4ME 122


and is generally used in translating only the unit operation that uses the reaction and not the reaction. In PRO/II, two reactor units could use the same reaction with different conversions. However, this is not possible in HYSYS and it requires two reactions with different conversions. Parameters RxnSet Parameters RxnSet Parameter UOM Description ReactionSetName Name of the Reaction Set.1

SetType Not currently used NumberOfActiveRxns ALIAS ActiveReactionList.NumberOfActiveRxns

The number of active reactions in this set

ActiveReactions ALIAS ActiveReactionList.x_ActiveReaction

List of Active Reaction names within this set2

NumberOfInactiveRxns ALIAS InactiveReactionList.NumberOfInactiveRxns

Number of Inactive reactions in this set – Not currently used

InactiveReactions ALIAS InactiveReactionList.x_InactiveReaction

List of Inactive Reaction names within this set –Not currently used

Notes:

1. Reaction Set names in the HYSYS XML files are not suitable for use in the TL and P2 layers. When loading the reaction set data into the HS holder in HSAccess.dll, the name used here is RNNSETn where n is incremented for each set. The original HYSYS set name is passed into the TL layer as a description.

2. Reaction names in the TL layer have been designed to combine the set name viz: “reaction_name set_name”. The same convention is used in the HSAccess code to append the owner set name to the reaction name.

Reaction Parameters Reaction Parameter UOM Description

ReactionType

The type of reaction: i.e. ConversionReactionObject, EquilibriumReactionObject, KineticReactionObject, or SimpleRateReactionObject.

ReactionName Name of the Reaction1

Basis Concentration basis for equilibrium or kinetic reaction data e.g. “Partial Pressure”, or “Molar Concentration”

Phase Phase for reaction NumberOfReactants Number of components involved in the

SIM4ME 123


Reaction Parameter UOM Description ALIAS ReactantList.NumberOfReactants

reaction

Reactants ALIAS ReactantList.x_Reactant.ComponentName

Array of component names2

StoichCoeff ALIAS ReactantList.x_Reactant.StoichCoeff

Array of stoichiometric coefficients

ReactionHeatSpec ALIAS ReactionHeat.Status String indicating whether heat of reaction

is “Calculated” or “Specified”4

ReactionHeat kJ/kmol Heat of Reaction4

BasisComponent Name of the Base Component2,3

EquilibriumCoeff ALIAS EquilibriumConsCoeff.x_EquilibriumConsCoeffSet.EquilibriumConstCoeff

Temperature in K Array of coefficients (A,B,C,D,E,F,G,H) for the Equilibrium Constant equation

BasisUnits String specifying UOM used for concentration in the Equilibrium or Kinetic rate expressions

FwdFrequencyFactor ALIAS KineticConsCoeff.FwdFrequencyFactor

Temperature in K Frequency Factor (i.e. Pre-exponential coefficient) for the forward reaction

FwdActivationEnergy ALIAS KineticConsCoeff.FwdActivationEnergy

Temperature in K Activation energy for the forward equation

FwdAlpha ALIAS KineticConsCoeff.FwdAlpha

Temperature exponent for the forward equation

RevFrequencyFactor ALIAS KineticConsCoeff.RevFrequencyFactor

Temperature in K Frequency Factor (i.e. Pre-exponential coefficient) for the reverse reaction

RevActivationEnergy ALIAS KineticConsCoeff.RevActivationEnergy

Temperature in K Activation energy for the reverse equation

RevAlpha ALIAS KineticConsCoeff.RevAlpha

Temperature exponent for the reverse equation

ForwardOrder ALIAS ReactantList.x_Reactant.ForwardOrder

Order (i.e. power to which concentration is raised) in kinetic rate expression for forward reaction

ReverseOrder ALIAS ReactantList.x_Reactant.ReverseOrder

Order (i.e. power to which concentration is raised) in kinetic rate expression for reverse reaction

SIM4ME 124


Reaction Parameter UOM Description

RateUnits UOM string for reaction rate in Kinetic reactions

MinTemperature C Minimum temperature at which rate equation is valid

MaxTemperature C Maximum temperature at which rate equation is valid

Approach ALIAS FractionalApproach.DeltaTemperature

C Temperature Approach for Equilibrium reaction (not used)

Coefficient percentage Conversion for conversion reaction (not used)

Notes:

1. Reaction names in the TL layer have been designed to combine the set name viz: “reaction_name set_name”. The same convention is used in the HSAccess code to append the owner set name to the reaction name.

2. Because of the problem of relating components by name, the HSAccess code that loads reactions translates the HYSYS component names into the PRO/II names that are mapped during the Thermo loading. Therefore, it is the PRO/II names stored here.

3. Due to what looks like a bug in the HYSYS XML file, the Base Component name is never set correctly. When this occurs the HSAccess code sets the name to “UNKNOWN”

4. Heats of reaction in HYSYS appear to be always calculated and are not output to the XML file when only specification data is output.

The parameters in this layer are named same as those in PRO/II except for a few minor changes.

UOM

Common Data Base Structure – RxnSet and Reaction Parameters

RxnSet Parameters RxnSet Parameter Description KineTypeFlag Kinetic rate calculation method NumReactions Number of reactions ReactionID Reaction components RxSetDescription Reaction set description Reaction Parameters

UOM Reaction Parameter Description NumRxnComps Number of reaction data components CompID Component IDs StoichCoeff Stoichiometric coefficients RxnDefFormat Reaction display format ReactionDescription Reaction description (formula, name) HeatOfRxnOption Heat of reaction option (calculated, user-

specified) HeatOfRxn kJ/kg-mol Heat of reaction HRxnRefCompID Heat of reaction ref component

SIM4ME 125


Reaction Parameter UOM Description HeatRxnRefTemp K Heat of reaction ref temperature HeatRxnRefPhase Heat of reaction ref phase EquDataFlag Define equilibrium data flag EquCoeff Equilibrium coefficients A, B, C, D, E, F, G EquRxnPhaseDflt Equilibrium reaction default phase EquLiqConcBasis Equilibrium reaction liquid conc basis EquVapConcBasis Equilibrium reaction vapor conc basis EquExponent Equilibrium activity exponents EquCompPhase Equilibrium data component reaction phases EquilCoeffsTempUOM Temperature UOM for equilibrium coefficients EquWeightUOM Weight UOM for equilibrium constant EquVolumeUOM Volume UOM for equilibrium constant EquPresUOM Pressure UOM for equilibrium constant KinDataFlag Define kinetic data flag KinPexpFactor Pre-exponential factor KinActiEnergy kJ/kg-mol Activation energy KinTempExp Temperature exponent KinRxnPhaseDflt Kinetic default reaction phase KinLiqConcBasis Kinetic reaction liquid conc basis KinVapConcBasis Kinetic reaction vapor conc basis KinExponent Kinetic exponents (reaction orders) KinCompPhase Kinetic data component reaction phases PexpTempUOM Temperature UOM for pexp PexpWeightUOM Weight UOM for pexp PexpVolumeUOM Volume UOM for pexp PexpPresUOM Pressure UOM for pexp PexpTimeUOM Time UOM for pexp

SIM4ME 126


Rigorous Heat Exchanger This document describes the scope and various scenarios of the PRO/II Rigorous Heat Exchanger translation to the equivalent Dynsim, ROMeo and HYSYS™ Heat Exchanger. Base PRO/II Model Introduction and Usage of the Model The Rigorous Heat Exchanger unit operation carries out a performance rating of an existing shell and tube heat exchanger handling single phase, condensing or vaporizing streams. Vapor-Liquid and Vapor-Liquid-Liquid phase equilibria are supported. Parameters Parameter UOM Description



MergedFeed The stream ID of the merged feed stream.

MergedProduct


FeedData A vector containing the IDs of all of the feed streams.

ProductData A vector containing the IDs of all of the product streams.

FirstFeed Index into FeedData locating first feed to each side

LastFeed Index into FeedData locating last feed to each side

FirstProduct Index into ProductData locating first product to each side


ProductStoreData Phase specifications for product stream (Mixed, Vapor, Liquid)

PseudoProdData A vector containing the IDs of all of the pseudo product streams (attached to column)

FlowTypeFlag 0 - Counter Current, 1- Co Current NumOfTube Number of tubes per Shell NumOf TubePasses Number of tube passes per Shell NumOfShellPasses Number of shell side passes NumOfParShells Number of Parallel Shells NumOfSerShells Number of Shells in series

SIM4ME 127


Parameter UOM Description NumOfFansPerBay Number of Fans per Bay FanDraftType 0 – Induced draft

1 – Forced draft AttachedSideFlag Attached side (not attached, hot side

attached to column, cold side attached to column)

AttachedTypeFlag Attached type (not attached, condenser, re-boiler, pump around heater /cooler, side heater / cooler)

ColuHeaterName Attached column heater name ColuPAName Attached column pump around name UvalFoul kJ/hr-m2-K U value with fouling UvalNoFoul kJ/hr-m2-K U value without fouling UAVal kJ/hr-K UA Value AreaUsingUDirty m2 Area FTFct LMTD correction factor LogMeanTempDiff K LMTD MeanTempDiff K Mean temperature difference TubeLen m Tube length TubePressDropCalc kPa Tube side pressure drop TubeFoulFct hr-m2-K/kJ Tube side fouling factor TubeDens kg/ m3 Tube density TubeThck m Tube thickness TubeFilmCoeff kJ/hr- m2-K Tube side film coefficient TubeFoul hr- m2-K/kJ Tube side fouling TubeTempOut K Tube side outlet temperature ShellTempOut K Shell side outlet temperature TubeID m Tube inside diameter TubeOD m Tube outside diameter ShellID m Shell inside diameter UnitAreaPerShell m2 Area of unit per shell basis ShellFoulFct m2-hr-K/kJ Shell side fouling factor ShellPressDropCalc kPa Shell side pressure drop ShellFoul m2-hr-K/kJ Shell side fouling ShellEmptyWt kg Shell empty weight ExchngHtDuty kJ/sec Exchanger Heat Duty ShellMatDens kg/m3 Shell material density TubeBundleWt kg Tube bundle weight BaffleSpc m Baffle spacing InletBaffleSpc m Inlet baffle spacing OutletBaffleScp m Outlet baffle spacing TubePitch m Tube pitch SpecType Specification type HotSideType Hot side type NumOfSealStrippairs Number pf seal strip pairs PitchPattern Pitch pattern

SIM4ME 128


Equivalent Dynsim Model / Models: Header - Heat Exchanger - Drum Introduction and Usage of the Model The HeatExchanger is a single pass, two-sided heat exchanger that uses the LMTD approach to calculate the duty. It can be configured as countercurrent or cocurrent. The two sides are called Shell and Tube. Both sides are flow devices and are instances of the same model (HeatSide), i.e., they are modeled in the same way. They may be thought of as lumped-model analogs of the two sides of a shell and tube heat exchanger. There are four nodes in the HeatExchanger with each side containing two nodes (inlet and exit nodes). The heat transfer across the sides is due to the heat duty based on the logarithmic mean temperature difference across these nodes and to natural convection. Ambient heat loss is also modeled and is calculated separately for each side. Each side has a metal mass and volume associated with it. These are distributed equally across the two nodes. The metal and fluid in a node are considered to be at the same temperature. Bypass flow, fouling resistance, and boundary conditions (temperature and enthalpy specifications on the nodes) are also modeled for each side. Header is used for mixing up all streams and sending a single MergedFeed to Flow Device. Drum is used for the phase separation and streams are connected to various ports based on the product phase specifications. Parameters Static Parameters to Database Heat Exchanger / Utility Exchanger Exchanger Parameter UOM Description U kW/ m2-K Overall heat transfer coefficient Un kW/ m2-K Natural convection heat transfer coefficient Area m2 Total heat transfer area CocurrentFlag 0 – Countercurrent, 1 – Cocurrent Side (Heat & Utility) Side Parameter UOM Description Ul kW/ m2-K Ambient loss heat transfer coefficient Wref kg/sec Reference mass flow rate for heat transfer href kW/ m2-K Heat transfer coefficient at reference mass flow FoulRes m2-K/kW Fouling resistance Mm kg Metal mass HeatSide HeatSide Parameter UOM Description Vol m3 Fluid volume of the side J (kg/sec)/sqrt(kPa-kg/ m3) Flow conductance

SIM4ME 129


Parameters to States.dat Heat Exchanger / Utility Exchanger Exchanger Parameter UOM Description LMTD K Log mean temperature difference Q kJ/sec LMTD duty Qn kJ/sec Natural convection duty Side (Heat / Utility) Side Parameter UOM Description Ti K Inlet node temperature Tx K Outlet node temperature HeatSide HeatSide Parameter UOM Description Hi kJ/kg-mol Inlet node enthalpy Hx kJ/kg-mol Outlet node enthalpy Zi fraction Inlet node composition Zx fraction Outlet node composition MT kg-mol Total mole hold-up Equivalent ROMeo Model: Performance Heat Exchanger Introduction and Usage of the Model PRO/II Rigorous Heat Exchanger is modeled as Performance Heat Exchanger in ROMeo. Parameters Parameter/Variable UOM Type Description U KJ/m2-K Variable Overall Heat Transfer Coefficient HOCO K Variable Difference in Hot Outlet Temp. and

Cold Outlet Temp. HICO K Variable Difference in Hot Inlet and Cold

Outlet Temp. HOCI K Variable Difference in Hot Outlet and Cold

Inlet Temp. UArea kJ/hr-K Variable U * Area ForceLMTDCalc Variable LMTD calculation flag. HotSide String Describes which is Hot Side ColdSide String Describes which is Cold Side ConfigMode String Configuration, set as Performance. FlowDir String Counter-Current or Co-Current

arrangement OverallConfig String TwoSided or Single Sided TubeHtCoCorr Variable FResistOverall hr-m2-K/kJ Variable Overall Heat Transfer Resistance TubeHtTransAreaOutside m2 Variable Outside Tube Heat Transfer Area

SIM4ME 130


Parameter/Variable UOM Type Description TubeHtTransAreaInside m2 Variable Inside Tube Heat Transfer Area ShellHtCo KJ/m2-K Variable Shell Side Heat Transfer Coefficient.

Sub Model

Parameter/Variable UOM Type Description Shell CurrSpec String Current Specification v_Duty kj/sec Variable Duty v_DewPtPlus K Variable Temperature above Dew Point v_BubPtMinus K Variable Temperature below Bubble Point v_TempChange K Variable Temperature Change v_ProdTemp K Variable Product Temperature v_ProdVapFrac Fraction Variable Product Vapor Fraction v_FoulResist hr-m2-K/kJ Variable Foul Resistance v_Pres kPa Variable Pressure v_PresDrop kPa Variable Pressure Drop ShellDPUnit.PresChoice Variable Pressure Drop Calculation Choice FResist CurrFoulingResistanceCase

String Foul Resistance Case

CurrFoulingResistanceCaseName

String Case Name

CurrFoulingResistanceCasDesc

String Case Description

CurrFoulingResistance hr-m2-K/kJ Variable Foul Resistance Value ShellSideHtCo LogReyNo Variable Log of Reynolds Number ReyNo Variable Reynolds Number PrandtlNo Variable Prandtl Number NoOfBaffles Variable Number of Baffles ShellToBaffleLeakageArea m2 Variable Leak Area between Baffle and Shell TubeToBaffleLeakageArea m2 Variable Leak Area between Baffle and Tube NoOfTubeRowsInACrossFlowSection

Variable Number of Tubes in Cross Flow Area

HtCo Variable KJ/m2-K Heat Transfer Coefficient CorrFactBaffleLeakage Baffle Leakage Correction Factor Variable CrossFlowArea m2 Variable Cross Flow Area

AvgSpHt kJ/Kg-Mol-K

Variable Average Specific Heat

AvgVisc Pa-Sec Variable Average Viscosity AvgCond W/m-K Variable Average Conductivity

SIM4ME 131


MassFlowRate kg/sec Variable Mass Flow Rate JFacIdealTubeBank Variable Ideal J Factor CorrFactBaffleConfigEffects

Variable Baffle geometry correction factor

CorrFactBundleBypass Variable Bundle bypass correction factor ShellCSectArea m2 Variable Shell cross sectional area CorrFactUnEqualBaffleSpacing

Variable Baffle Unequal spacing factor

CorrFactAdverseTempGrad

Variable Adverse Temp. Gradient correction factor

CorrFactAdverseTempGradPrime

Variable Adverse Temp. Gradient Prime correction factor

HtCoIdealTubeBank Variable Ideal Heat Transfer coefficient AreaRatioLeakageToCrossFlow

Variable Leakage area to cross flow area ratio

AreaRatioFractionShellBaffleLeakage

Variable Shell baffle leakage to cross flow area ratio.

FractionCrossFlowAreaForBypass

Variable Fraction of cross flow area for bypass

WindowEquivDia Variable Equivalent Window Area NoOfTubeRowsInEachWindow

Variable Tubes in each Window

JFac.v_LogReyNo Variable Log of Reynolds Number JFac.v_LogJFacIdealTubeBank

Variable Reynolds Number

ShellConfig TubePitch m Variable Tube Pitch BaffleCut Fraction Variable Baffle Cut BaffleSpacing m Variable Baffle Spacing NoOfSealStrips Variable Number of Seal Strips MaxBaffleSpacing m Variable Maximum Baffle Spacing GrossWindowArea m2 Variable Gross Window Area TubeWindowArea m2 Variable Tube Window Area FractionOfTubesInCrossFlow

Fraction Variable Fraction of Tubes In Cross Flow

FlowWindowArea m2 Variable Flow Window Area WindowEquivDia m Variable Equivalent Window Diameter TubeLayoutOption String Default is Square Rotated ShellsArrangement String Default is Series BaffleSpacingEntranceRatio

Variable Ratio of entrance baffle spacing to baffle spacing

BaffleSpacingExitRatio Variable Ratio of exit baffle spacing to baffle

spacing TubeOtl m Variable Tube Outer tube Limit TubeHtTransArea m Variable Tube Heat transfer area TubeArea m Variable Tube cross area MinBaffleSpacing m Parameter Minimum baffle spacing

SIM4ME 132


Tube CurrSpec String Current Specification v_Duty kj/sec Variable Duty v_DewPtPlus K Variable Temperature above Dew Point v_BubPtMinus K Variable Temperature below Bubble Point v_TempChange K Variable Temperature Change v_ProdTemp K Variable Product Temperature v_ProdVapFrac Fraction Variable Product Vapor Fraction v_Pres kPa Variable Pressure v_PresDrop kPa Variable Pressure Drop TubeSideHtCo ReyNo Variable PrandtlNo Variable Pres kPa Variable Pressure HtCo KJ/m2-K Variable Heat Transfer Coefficient FricFact Variable Tube Friction Factor TubesPerPass Variable Tubes per pass TubeDPUnit Variable Pres kPa Variable Pressure PresDrop kPa Variable Pressure Drop PresChoice Variable Pressure Drop calculation choice MassVel Kg/m/sec Variable Mass Velocity MassFlowRate Kg/sec Variable Mass Flow Rate

AvgSpHt kJ/Kg-Mol-K

Variable Average Specific Heat

AvgVisc Pa-Sec Variable Average Viscosity AvgCond W/m-K Variable Average Conductivity TubeArea m2 Variable Tube Area

CurrFoulingResistance hr-m2-K/kJ

Variable Foul resistance value

CurrFoulingResistanceCase String Foul resistance case CurrFoulingResistanceCaseName

String Case Name

CurrFoulingResistanceCaseDesc

String Case Description.

Equivalent HYSYS Model: Heat Exchanger Introduction and Usage of the Model HYSYS™ Heat Exchanger is translated as a Rigorous Heat Exchanger in PRO/II. Heat Exchanger can be specified in number of ways viz. Exchanger Design (Weighted end point), Steady State Rating, UA, Duty, LMTD, Product temperature, Temperature Difference, Sub cooling, Superheating, Shell and tube bundle data, Shell and tube pressure drop.

SIM4ME 133


Parameters Parameter/Variable Type Description TubeFluidPkg ALIAS TubeSideFluidPackage.FluidPackage.Value

String Tube side Methodslate/Compslate

ShellFluidPkg ALIAS ShellSideFluidPackage.FluidPackage.Value

String Shell side Methodslate/Compslate

CounterOrCoCurrent String CounterCurrent/Co-Current ShellHeatTransferCoeff Float Shell side heat transfer coefficient TubeHeatTransferCoeff Float Tubel side heat transfer coefficient RatingUA Float UA ShellFouling Float Shell side fouling TubeFouling Float Tube side fouling ShellsInSeries Long Shells in series ShellsInParallel Long Shells in parallel TubePasses Long Tube passes per Shell TubeOrientation String Horizantal/Vertical TEMAType1 String TEMA type 1 TEMAType2 String TEMA type 2 TEMAType3 String TEMA type 3 TubePitch Float Tube pitch TubeLayourAngle String Tube layout NoOfTubes Long Number of Tubes TubeLength Float Tube length TubeWallConductivity Float Tube wall Conductivity BaffleType String Baffle Type BaffleOrient String Baffle Orientation BaffleCut Flaot Baffle cut BaffleSpacing Float Baffle Spacing TubeOuterDiameter Float Tube OD TubeInnerDiameter Float Tube ID ShellPressureDrop Float Shell Pressure drop TubePressureDrop Float Tube Pressure drop TubeFeedStreams ALIAS x_TubeInletStream.TaggedName

String Tube Feed Stream

ShellFeedStreams ALIAS x_ShellInletStream.TaggedName

String Shell Feed Stream

TubeProdStreams ALIAS x_TubeOutletStream.TaggedName

String Tube Product Stream

ShellProdStreams ALIAS x_ShellOutletStream.TaggedName

String Shell Product Stream

SpecName ALIAS HeatExchPerformance.HeatExchangerSpecifications.x_ExchangerS

Stringarray Specification Name

SIM4ME 134


Parameter/Variable Type Description pec.SpecName SpecStatus ALIAS HeatExchPerformance.HeatExchangerSpecifications.x_ExchangerSpec.SpecifiedValue.Status

Intarray Used to determine if specification is active or not

SpecObjName ALIAS HeatExchPerformance.HeatExchangerSpecifications.x_ExchangerSpec.SpecifiedObjectName1

Stringarray Specification object name

SpecType ALIAS HeatExchPerformance.HeatExchangerSpecifications.x_ExchangerSpec.SpecTypeSelection

Intarray Spec type selection 0 - Temp 1 - Delta temp 2 - UA 3 - LMTD 5 - Duty 6 - Min Approach 7 - Flow 8 - FLow Ratio 9 - Duty Ratio 11 - Subcooling 12 – SuperHeating

HeatExchPerformance.ExchangerColdDuty

Float Duty

HeatExchPerformance.HeatLeak Float Heat Leak through cold side HeatExchPerformance.HeatLoss Float Heat Loss through hot side HeatExchPerformance.HeatLeak.Status

Long 4 = Calculated

HeatExchPerformance.HeatLoss.Status

Long 4 = Calculated

Parameters

Common Data Base Structure – RigorousHX Units of Measure Internal Units of Measure for the Common Data Base Structure is in P2Internal units

Common Parameters PRO/II TL Parameter Dynsim Parameter ROMeo Parameter FirstFeed LastFeed FirstProduct LastProduct ProductStoreData PseudoProdData FlowTypeFlag CoCurrentFlag CoCounterFlag FlowDir NumOfTube NumOfTube NumberOfTubes

SIM4ME 135


Common Parameters PRO/II TL Parameter Dynsim Parameter ROMeo Parameter NumOf TubePasses NumOf TubePasses NumOfTubePasses NumOfShellPasses NumOfShellPasses NumOfParShells NumOfParShells Shell NumOfSerShells NumOfSerShells Shell NumOfFansPerBay FanDraftType? AttachedSideFlag AttachedTypeFlag ColuHeaterName ColuPAName UValFoul U UOverall U UAVal UAValue UArea Ul Un AreaUsingUDirty Area Area TubeHtTransAreaOutside /

TubeHtTransAreaInside FTFct LMTDFactor LMTDFactor LogMeanTempDiff LMTD LMTD LMTD MeanTempDiff ExchngHtDuty HeatDuty TubeDuty/ShellDuty

Shell/Tube Side parameters

CurrentFeeds Shell.NumOfFeeds Tube.NumOfFeeds

Shell.NumOfFeeds Tube.NumOfFeeds

CurrentProducts Shell.NumOfProds Tube.NumOfProds

Shell.NumOfProds Tube.NumOfProds

MergedFeed Shell.MergedFeed Tube. MergedFeed

MergedProduct Shell. MergedProd Tube. MergedProd

FeedData Shell.OFeedStream Tube.OFeedStream

Shell.FeedStreams Tube.FeedStreams

ProductData Shell.OProdStream Tube.OProdStream

Shell.ProdStreams Tube.ProdStreams

TubeLen Tube.Length TubeLength TubePressDropCalc Tube.PressureDrop PresDrop TubeFoulFct TubeDens Tube.MetalDensity TubeThck Tube.Thickness TubeFilmCoeff Tube.FilmCoeff TubeFoul Tube.FoulRes Tube.FoulRes CurrFoulingResistance TubeTempOut Tube.Tx Tube.OutletTemperature ProdTemp ShellTempOut Shell.Tx Shell.OutletTemperature ProdTemp TubeID Tube.InsideDiameter TubeId TubeOD Tube.OutsideDiameter TubeOd ShellID Shell.InsideDiameter ShellFoulFct

SIM4ME 136


Common Parameters PRO/II TL Parameter Dynsim Parameter ROMeo Parameter

ShellPressDropCalc Shell.PressureDrop PresDrop ShellFoul Shell.FoulRes Shell.FoulRes CurrFoulingResistance Shell.h

Tube.h

Shell.Wref Tube.Wref

Shell.Href Tube.Href

Shell.Ti Tube.Ti

Shell.InletTemperature Tube.InletTemperature

Shell.Hi, Shell.Hx Tube.Hi, Tube.Hx

Tube.OutletSpecificEnthalpy

Shell.InletSpecificEnthalpy Shell.OutletSpecificEnthalpy Tube.InletSpecificEnthalpy

Shell.Zi, Shell.Zx Tube.Zi, Tube.Zx

Shell.InletCompMoleFraction Shell.OutletCompMoleFraction Tube.InletCompMoleFraction Tube.OutletCompMoleFraction

Shell.MT Tube.MT

Shell.TotalMoles Tube.TotalMoles

Shell.M Tube.M

Shell.CompMolesState Tube.CompMolesState

ShellEmptyWt Shell.Mm Shell.MetalMass Tube.Mm Shell.J

Tube.J Shell.FlowConductance Tube.FlowConductance

Shell.Vol Tube.Vol

Shell.Volume Tube.Volume

SIM4ME 137


Calculation of Derived Parameter from TL to PRO/II Layer

Tube/Shell side heat transfer coefficient If HS calculated values, for Shell/Tube heat transfer coefficient is zero or less than zero then these are calculated as

)()()(

1)(

11 sFRtFRsHTCtHTCU

+++=

Assume HTC(t) = HTC(s)

))()((*1(2*

sFRtFRUUHTC

+−=

HTC(S) – Shell Side Heat Transfer Coefficient

FR(s) – Shell Foul Resistance

where: HTC(t) – Tube side Heat Transfer Coefficient

FR(t) – Tube Foul Resistance

U – Overall Heat Transfer resistance

Calculation of Derived Parameter from PRO/II to TL Layer

In the common data model the SimpleHx in PROII is retained as is and the following parameters are calculated. Volume of nodes

TubeLenTubeIDellsNumOfSerShellsNumOfParShNumOfTubesTubeVolume ⋅⋅⋅⋅⋅= 2)( π

)()( 2 TubeLenShellIDellsNumOfSerShellsNumOfParSheShellVolum ⋅⋅⋅⋅= π Total Moles

MwyMassDensitVolMT ⋅=

Flow Conductance

xi

xxiff

xif

ff

f

RRRMWRMW

MW

RRR

MWRPMWF

J

+

⋅+⋅=

+=

⋅⋅∆

⋅=

2

SIM4ME 138


where: Fi - Inlet mole flow rate in (kg-mol/sec) J - Flow conductance in (kg/sec)/sqrt(kPa kg/m3) MWf - Forward molecular weight in (kg /kg-mol) MWi - Inlet node fluid molecular weight in (kg /kg-mol) MWx - Exit node fluid molecular weight in (kg /kg-mol) Rf - Forward molar density in (kg-mol/m3) Ri - Inlet node fluid molar density in (kg-mol/m3) Rx - Exit node fluid molar density in (kg-mol/m3) ∆P - Pressure difference across the side in (kPa) Metal Mass Based on the volume of side and density of 7760 kg/m3 we can calculate the metal mass.

( )0.1000,)(

calculatedTube

Tube

MmMAXMmWtTubeBundleellsNumOfSerShellsNumOfParShMm

=⋅⋅=

Calculation of Derived Parameter from TL to Dynsim Layer In TL layer the U and Area will always be available. Heat Transfer Coefficient Assume equal heat transfer coefficients for each side. In Dynsim,

( )( ) ( )

⎟⎠⎞

⎜⎝⎛ −

=

−=

+++=

−+=

=+=

sFoulU

LMTDAreaQTotalDuty

TTTT

TTTAreaULMTDAreaU

QQTotalDuty

n

sideoutinsideoutinavg

avgoutinn

n

n

Re*0.210.2

*

0.4

*0.20.2

***

21

h

U

T

Q

Q

In above equations, Qn can be calculated using Dynsim’s default value for Un and hence ‘h’.

SIM4ME 139


Calculation of Derived Parameter from TL to ROMeo Layer Number of Tube in Cross Flow Area

/pp2(lc/Ds)] - [1 where: Lc/Ds - Baffle Cut (fraction) pp - Parallel Pitch Number of Effective Cross-Flow rows in each window

0.8lc/pp where: Lc :- Baffle Cut (m) Cross Flow Area

) 1)0.70710678*TubePitch (TubeOd)-TubePitch (*TubeOd)-(TubeOtlTubeOtl - (ShellDia*BaffleSpc +

where: TubeOtl - Outer Tube Limit

Parallel Pitch

10.70710678*TubePitch

Normal Pitch 10.70710678*TubePitch

Shell Diameter

InPar)(NumShells*terShellDiame Number of Tubes

nParNumShellsI*NumofTubes Tube Window Area

8

TubeOd * TubeOd * 3.14 * ossFlow))fTubesInCr(FractionO-(1* besNumberOfTu

Flow Window Area

Gross Window Area – Tube Window Area

SIM4ME 140


Window Equivalent Diameter

)BaffleCut)*2 -(1*2*ShellDia TubeOd *ssFlow)TubesInCroFractionOf - (1*besNumberOfTu * (1.57

AreaFlowWindow *4+

Tube to Baffle LeakageArea

ssFlow)TubesInCroFractionOf (1* NumofTubes * TubeOd* 4-6.223e +

SIM4ME 141


Shortcut Column This section describes the scope and various scenarios of the HYSYS™ Shortcut Column translation to a PRO/II Shortcut distillation column. Base PRO/II Model – Shortcut Distillation Column Introduction and Usage of the Model PRO/II contains shortcut distillation calculation methods for determining column conditions such as separations, minimum trays, and minimum reflux ratios. The shortcut method assumes that an average relative volatility may be defined for the column. The Fenske method is used to compute the separations and minimum number of trays required. The minimum reflux ratio is determined by the Underwood method. The Gilliland method is used to calculate the number of theoretical trays required and the actual reflux rates and condenser and reboiler duties for a given set of actual to minimum reflux ratios. Finally, the Kirkbride method is used to determine the optimum feed location. The shortcut distillation model is a useful tool for preliminary design when properly applied. Shortcut methods will not, however, work for all systems. For highly non-ideal systems, shortcut methods may give very poor results or no results at all. In particular, for columns in which the relative volatilities vary greatly, shortcut methods will give poor results since both the Fenske and Underwood methods assume that one average relative volatility may be used for calculations for each component. There are two shortcut distillation models available in PRO/II. In the first method (CONVENTIONAL), which is the default, total reflux conditions exists in the column. In the second method (REFINE), the shortcut column consists of a series of one feed, two product columns, starting with the bottom section. In this model, there is no reflux between the sections. Parameters Shortcut Column Parameter UOM Description

CondTempCalc K Condenser Temperature MinNumOfTraysCalc Minimum Number of Trays MinRefluxRatioCalc Minimum reflux ratio NumOfTrays Number of trays CondenserDuty KJ/sec Condenser Duty FeedStageLocation Feed Stage Location PressureOrDP Pressure Or DP Spec Flag ProdRateCalc Kg-mol/sec Product Rate ReboilerDuty KJ/sec Reboiler Duty RefluxRatio Reflux Ratio PressureFlag Pressure Flag ProductStoreData Product type ( Vap/Liq/Mixed ) LiquidPhaseFlag Liquid Phase Flag FenskeIndxCalc Fenske Index HeavyKeyCompCalc fraction Heavy Key Composition

SIM4ME 142


Shortcut Column Parameter UOM Description LightKeyCompCalc fraction Light Key Composition NumOfSpecifications Num Of Specifications CondenserType Condenser Type ~COMPSLATE Component Slate MethodData Method Slate FeedData Feed Stream ProductData Product Stream SpecData Specification Name Equivalent Hysys Model – Shortcut Column Introduction of the Model HYSYS™ Shortcut Column performs Frenske-Underwood shortcut calculations for simple refluxed towers. The Frenske minimum number of trays and the underwood minimum reflux are calculated. A specified reflux ratio can then be used to calculate the flow rates of vapor and liquid in the enriching and stripping sections, duty of condenser and reboiler, number of ideal trays and location of optimum feed.

Parameters Parameter/Variable UOM Description CondenserDuty KJ/sec Condenser Duty CondenserPressure KPa Condenser Pressure CondenserTemperature K Condenser Temperature ReboilerDuty KJ/sec Reboiler Duty ReboilerPressure KPa Reboiler Pressure ReboilerTemperature K Reboiler Temperature ExternalReflux External Reflux HeavyKeySpec Fraction Heavy Key Spec LightKeySpec Fraction Light Key Spec MinimumNumberOfTrays Minimum Number Of Trays ActualNumberOfTrays Actual Number Of Trays MinimumReflux Minimum Reflux Ratio OptimalFeed Optimal Feed Location OverHeadVapourFrac Fraction Over Head Vapor Fraction Bottoms Bottom Product Stream Condenser Condenser Name FluidPkg Fluid package HeavyKeyIndex Heavy Key Component LightKeyIndex Light Key Component OverHead Overhead Product Stream Reboiler Reboiler Name Feed Feed Stream

SIM4ME 143



ProII Shortcut Column Parameters

Hysys Shortcut Column Parameters

TL Slate Change Parameter

CondTempCalc CondenserTemperature CondTempCalc MinNumOfTraysCalc MinNumOfTraysCalc MinimumNumberOfTrays MinRefluxRatioCalc MinimumReflux MinRefluxRatioCalc NumOfTrays ActualNumberOfTrays NumOfTrays CondenserDuty CondenserDuty CondenserDuty FeedStageLocation FeedStageLocation OptimalFeed PressureOrDP PressureOrDP ProdRateCalc ProdRateCalc ReboilerDuty ReboilerDuty ReboilerDuty RefluxRatio RefluxRatio ExternalReflux/MinimumReflux PressureFlag PressureFlag ProductStoreData ProductStoreData LiquidPhaseFlag LiquidPhaseFlag FenskeIndxCalc FenskeIndxCalc HeavyKeyCompCalc HeavyKeyCompCalc HeavyKeySpec LightKeyCompCalc LightKeyCompCalc LightKeySpec NumOfSpecifications NumOfSpecifications CondenserType CondenserType ~COMPSLATE COMPSLATE MethodData MethodSlate

FluidPkg

FeedData FeedData Feed ProductData ProductData OverHead, Bottoms SpecData SpecData

SIM4ME 144


Simple Heat Exchanger

Parameter

This document describes the scope and various scenarios of the PRO/II Simple Heat Exchanger translation to the Dynsim Heat Exchanger or Utility Exchanger and a ROMeo Heat Exchanger. It also describes the HYSYS™ Heater/Cooler translation to a PRO/II Simple Heat Excahnger. Base PRO/II Model Introduction and Usage of the Model Simple heat exchanger could be two sided or one sided (Utility exchanger). Each side could have one or more feed and one or more product. Parameters

UOM Description



MergedFeed The stream ID of the merged feed stream.

MergedProduct


FeedData A vector containing the IDs of all of the feed streams.

ProductData A vector containing the IDs of all of the product streams.

FirstFeed Index into FeedData locating first feed to each side

LastFeed Index into FeedData locating last feed to each side

FirstProduct Index into ProductData locating first product to each side


ProductStoreData Phase specifications for product stream (Mixed, Vapor, Liquid)

PseudoProdData A vector containing the IDs of all of the pseudo product streams (attached to column).

CoCounterFlag Cocurrent / Countercurrent flag (Cocurrent mode, Countercurrent mode)

UtilitySideFlag Utility flag (No Utility, Hot side utility, Cold side utility)

UtilityFluidFlag Utility fluid type (None, Water, Air, Steam, Refrigerant, Heating Medium, Oil,

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Parameter UOM Description Gas)

NumberOfShellPass Number of shell side passes NumberOfTubePass Number of tube side passes AttachedSideFlag Attached side (not attached, hot side

attached to column, cold side attached to column)

AttachedTypeFlag Attached type (not attached, condenser, reboiler, pump-around heater /cooler, side heater / cooler)

HxSides Flag to designate which sides are present (hot side & utility on cold side, cold side & utility on hot side, both sides)

ColuHeaterName Attached column heater name ColuPAName Attached column pump-around name DutyCalc kJ/sec Duty HociCalc K (TDIFF) Hot out – cold in temperature difference HicoCalc K (TDIFF) Hot in – cold out temperature difference HocoCalc Hot out – cold out temperature difference K (TDIFF) MiniCalc Minimum of HOCI or HICO K (TDIFF) HotProdTempCalc Hot product temperature K ColdProdTempCalc K Cold product temperature UaCalc kW/K Value of exchanger U*A UvalueCalc kW/ m2-K Overall heat transfer coefficient AreaCalc Heat transfer area m2

LmtdFactorCalc LMTD factor LmtdCalc K Log mean temperature difference HotPressDropCalc kPa Pressure drop on hot side ColdPressDropCalc kPa Pressure drop on cold side UtilityTempCalc K Utility temperature in or saturation

temperature UtilityPresCalc kPa Utility saturation pressure UtilityTempOutCalc K Outlet temperature of utility UtilityHeatValue Utility Cp or heat value UtilityFlowRate kg-mol/sec Utility flow rate AttachedFeedRate kg-mol/sec Feed rate to attached heater or cooler on a

column SpecTypeFlag 15 - U and A values specified separately

0 to 14 - U and A values not specified separately

ColdDewCalc K Cold Side Dew Point ColdBubbleCalc K Cold Side Bubble Point ColdDeltaTempCalc K Cold Side Temperature Change HotDewCalc K Hot Side Dew Point HotBubbleCalc K Hot Side Bubble Point HotDeltaTempCalc K Hot Side Temperature Change

SIM4ME 146


Equivalent Dynsim Model / Models : Header – Heat Exchanger – Utility Exchanger - Drum Introduction and Usage of the Model The Heat exchanger and Utility exchanger are single pass, two-sided heat exchanger that uses the LMTD approach. In the Utility exchanger, utility fluid passes through one of the sides. Both sides of Heat exchanger and process side of Utility exchanger are flow devices. There are four nodes with each side containing two nodes (inlet and exit nodes). The heat transfer across the sides is due to the heat duty based on LMTD across these nodes and to natural convection. Header is used for mixing up all streams and sending a single MergedFeed to Flow Device.

Description

Drum is used for the phase separation and streams are connected to various ports based on the product phase specifications. Parameters Static Parameters to Database Heat Exchanger / Utility Exchanger Exchanger Parameter UOM U kW/ m2-K Overall heat transfer coefficient Un kW/ Natural convection heat transfer coefficient m2-K Area m2 Total heat transfer area CocurrentFlag 0 – Countercurrent, 1 – Cocurrent Side (Heat & Utility) Side Parameter UOM Description Ul kW/ m2-K Ambient loss heat transfer coefficient Wref kg/sec Reference mass flow rate for heat transfer href kW/ m2-K Heat transfer coefficient at reference mass flow FoulRes m2-K/kW Fouling resistance Mm kg Metal mass

Description HeatSide HeatSide Parameter UOM Vol m3 Fluid volume of the side J (kg/sec)/sqrt(kPa-kg/ m3) Flow conductance UtilitySide UtilitySide Parameter UOM Description Cpf kJ/kg-K Fluid mass specific heat (required for OTHER

option, set for AIR & WATER options, not used for CONST_T & HEATSTREAM options)

Mf kg Utility fluid mass holdup (required for OTHER option)

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UtilitySide Parameter UOM Description Jnc kg/sec-K Temperature driven air flow conductance Tin K Utility inlet temeperature UtilityOption Options are: WATER, AIR, OTHER,

CONST_T & HEATSTREAM Hliq KW/m2-K Liquid heat transfer coefficient (used for

HEATSTREAM option only) Hvap KW/m2-K Vapor heat transfer coefficient (used for

HEATSTREAM option only) Wmax kg/sec Maximum utility fluid flow rate Parameters to States.dat Heat Exchanger / Utility Exchanger Exchanger Parameter UOM Description LMTD K Log mean temperature difference Q kJ/sec LMTD duty Qn kJ/sec Natural convection duty

Description Side (Heat / Utility) Side Parameter UOM Ti K Inlet node temperature Tx K Outlet node temperature

Description HeatSide HeatSide Parameter UOM Hi kJ/kg-mol Inlet node enthalpy Hx kJ/kg-mol Outlet node enthalpy Zi fraction Inlet node composition Zx fraction Outlet node composition MT kg-mol Total mole hold-up UtilitySide UtilitySide Parameter UOM Description W kg Utility mass flow rate Equivalent ROMeo Model / Models Introduction and Usage of the Model The Heat Exchanger models the heating or cooling of a stream to meet a given specification. The heat exchanger unit can have one or two sides.

• One-sided units exchange energy between a process stream and a theoretically infinite source or sink

• Two-sided units exchange heat between two process streams or exchange heat between a

process stream and a utility stream.

SIM4ME 148


• For a one-sided heat exchanger, the operating specification is either the duty or an outlet stream condition. The outlet stream condition can be the temperature, the liquid fraction, or it can be related to the dew or bubble point temperature of the stream.

• A two-sided heat exchanger transfers heat between two feed streams, adjusting the duty

to satisfy the operating specification. You must specify one operating specification for the heat exchanger and, optionally, the pressure drop for each side of the heat exchanger.

The ROMeo Simple Heat Exchanger unit operation models one and two-sided heat exchangers without zones analysis. The following assumptions apply to the heat exchanger

• The LMTD calculations assume that no phase change takes place (i.e. only sensible heat is exchanged).

The ROMeo Simple Heat Exchanger model has one feed stream for each side. If multiple feed streams are required, you must combine the streams using a Mixer unit operation before the heat exchanger. One product stream for each side The ROMeo Simple Heat Exchanger model has just one product stream for each side. If you require multiple product streams, you must divide the stream using a Splitter unit operation after the exchanger. If you need to separate product phases, add a Flash unit operation after the heat exchanger. Single or mixed phase allowed Both hot-side and cold-side streams can be either single or mixed phase. Utility feed streams must be defined as product streams from Source unit operations Temperature specifications

The following are the user input requirements

• For heat exchangers already on the flowsheet, you can change these specifications by right-clicking on the unit icon for a menu of options.

The product stream temperature can also be specified in relation to the dew or bubble point temperature.

• You must specify the configuration of the exchanger as one or two-sided and specify the

hot side as either tube or shell side.

• The hot side loses energy (duty is negative) and the cold side gains energy (duty is

positive). The heat exchanger will generate a warning if the sides are not correctly specified, but the solution will still be correct. However, ROMeo does not automatically switch sides even when the cold side has a higher temperature. Correct steam assignment is the responsibility of the user.

SIM4ME 149


Parameters Parameter UOM Description SingleSidedSpec 0 for two sides and 1 for single side ForceLMTDCalc default - 0 BypassHX default - 0 LMTDFlag default – 0 ; 1 for checking Always calculate LMTD LMTDVar LMTD value ConfigMode [ConfigModes] - Simple, Performance FlowDir [FlowDirs] - CounterCurrent, CoCurrent HotSide [Sides] - Shell, Tube ColdSide [Sides] - Shell, Tube CurrSpec [Specs] - HICO, HOCI, HOCO, U OverallConfig Shell, Tube, Two-Sided HeatLoss kJ/sec HOCO K HOCO Temperature Approach HICO K HICO Temperature Approach HOCI K HOCI Temperature Approach U kJ/m2-K Heat Transfer Coefficient Area m2 Area of exchanger UArea kJ/K U*Area CorrFacVar CorrectionFactor

Sub Model

Shell Parameter UOM Description Pres kPa PresDrop kPa Duty kJ/sec Duty DewPtPlus K Dew Point Plus BubPtMinus K Bubble Point Minus TempChange K Temperature Change (increase/decrease) ProdTemp K Product Temperature ProdVapFrac fraction Product Vapor Fraction Tube Parameter Pres kPa PresDrop kPa Duty kJ/sec Duty DewPtPlus K Dew Point Plus BubPtMinus K Bubble Point Minus TempChange K Temperature Change (increase/decrease) ProdTemp K Product Temperature ProdVapFrac fraction Product Vapor Fraction LMTD DeltaTemp1 K DeltaTemp2 K DeltaTempHi K

SIM4ME 150


DeltaTempLo K DeltaTempHi2 K TempRatio LMTD LMTD CorrFact CorrFactPrime RVar SVar SPrime CorrFact fraction CorrFact RTemp

Equivalent HYSYS Model: Heater/Cooler Introduction and Usage of the Model Heater and Cooler operations in HYSYS™ are translated as a single sided exchanger in PRO/II. These models have a process feed stream, a product stream, and a heat stream connected to the energy port.

Heater and Cooler can have the specifications: Duty, Product temperature, etc. If the Heater/Cooler is specified with other than Duty, then it is mapped to product temperature.

Type

Parameters Parameter/Variable Description FluidPackage.ParentFlowSheet.AttachmentName

String Methodslate/Compslate

HeatFlow Float Heat through energy stream PressureDrop Float Pressure Drop HeatModelManager.HeatModel.DutyVariable

Float If duty is calculated from specification

FeedStream ALIAS x_FeedStream.AttachmentName

StringArray

Feed Streams

ProdStream ALIAS x_ProductStream.AttachmentName

StringArray

Product Streams

SIM4ME 151


Common Data Base Structure – SimpleHX Units of Measure Internal Units of Measure for the Common Data Base Structure is in P2Internal units Parameters Parameter UOM Description NumOfFeeds NumOfProds CoCounterFlag Flow Direction Flag HeatDuty KJ/sec Duty Hoci K HOCI Temperature Approach Hico K HICO Temperature Approach Hoco K HOCO Temperature Approach MinHociHico K Minimum HOCI/HICO UAValue KW/K U * A UOverall KW/m2-

K U

Area m2 Area LMTDFactor LMTD Correction Factor LMTD LMTD Value SpecTypeFlag Specification Type Flag HxSides Two-Sided/Single Sided (Hot/Cold) param

Shell & Tube side parameters Parameter/Variable UOM Description Tube.PressureDrop KPa Pressure Drop Shell.PressureDrop KPa Pressure Drop Tube.ProdTemperature K Tube Product Temperature Shell.ProdTemperature K Shell Product Temperature Shell.FeedTemperature K Shell Feed Temperature Tube.FeedTemperature K Tube Feed Temperature Shell.FeedStreams Tube.FeedStreams

Shell.ProdStreams Tube.ProdStreams

ProII Parameter TL Parameter Dynsim Parameters ROMeo Parameters

Common Parameters CurrentFeeds NumOfFeeds NumOfFeeds CurrentProducts NumOfProds NumOfProds ProductStoreData CoCounterFlag CoCounterFlag CocurrentFlag FlowDir DutyCalc HeatDuty Qn Q HociCalc Hoci HOCI HicoCalc Hico HICO

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ProII Parameter TL Parameter Dynsim Parameters ROMeo Parameters HocoCalc Hoco HOCO MiniCalc MinHociHico UaCalc UAValue UArea UvalueCalc UOverall U U Un AreaCalc Area Area Area LmtdFactorCalc LMTDFactor CorrFact LmtdCalc LMTD LMTD LMTD UtilitySideFlag SpecTypeFlag SpecTypeFlag

Utility side parameters UtilityFluidFlag Utility.UtilityOpt

ion Utility.UtilityOption

UtilityTempCalc Utility.InletTemperature

Utility.Tin

UtilityPresCalc Utility.InletPressure

UtilityTempOutCalc

Utility.OutletTemperature

Utility.Tx

UtilityHeatValue Utility.SpecificHeat

Utility.Cpf

UtilityFlowRate Utility.MassFlow Utility.W Utility.Mf Utility.Wmax Utility.Pos Utility.Hliq Utility.Hvap Utility.Jnc AttachedFeedRate AttachedSideFlag AttachedTypeFlag HxSides HxSides ColuHeaterName ColuPAName

Shell & Tube side parameters (UtilitySideFlag =0) HotPressDropCalc Tube.PressureDr

op

ColdPressDropCalc

Shell.PressureDrop

HotProdTempCalc Tube.ProdTemperature

Tube.Tx

ColdProdTempCalc

Shell.ProdTemperature

Shell.Tx

Shell.FeedTemperature

Tube.Ti

Tube.FeedTemperature

Tube.Tx

SIM4ME 153


ProII Parameter TL Parameter Dynsim Parameters ROMeo Parameters Tube.FlowCondu

ctance Tube.J

Shell.FlowConductance

Shell.J

Tube.MassFlow Tube.Wref Shell.MassFlow Shell.Wref Tube.TotalMoles Tube.MT Shell.TotalMoles Shell.MT FeedData Shell.FeedStream

s Tube.FeedStreams

Shell.OFeedStream Tube.OFeedStream

ProductData Shell.ProdStreams Tube.ProdStreams

Shell.OProdStream Tube.OProdStream

MergedFeed Shell.MergedFeed Tube.MergedFeed

MergedProduct Shell.MergedProd Tube.MergedProd

Tube.Volume Shell.Volume

Tube.Vol Shell.Vol

Tube.Ul Shell.Ul

Tube.Mm Shell.Mm

Tube.FoulRes Shell.FoulRes

Tube.Href Shell.Href

Process side parameters (UtilitySideFlag = 1 or 2) ColdPressDropCalc

Process.PressureDrop (UtilitySideFlag=1)

HotPressDropCalc Process.PressureDrop (UtilitySideFlag=2)

Process.Volume Process.Vol Process.Ul Process.Mm Process.FoulRes Process.Href FeedData Process.FeedStre Process.OFeedStream

SIM4ME 154


ProII Parameter TL Parameter Dynsim Parameters ROMeo Parameters ams

ProductData Process.ProdStreams

Process.OProdStream

HotProdTempCalc Process.ProdTemperature (UtilitySideFlag=1)

Process.Tx

ColdProdTempCalc

Process.ProdTemperature (UtilitySideFlag=w)

Process.Tx

Process.FeedTemperature

Process.Ti

Process.FlowConductance

Process.J

Process.MassFlow

Process.Wref

Process.TotalMoles

Process.MT

ColdDewCalc Process.Dew Side{Shell}.v_DewPtPlus ColdBubbleCalc Process.Bubble Side{Shell}.v_BubPtMinus HotDewCalc Process.Dew Side{Tube}.v_DewPtPlus HotBubbleCalc Process.Bubble Side{Tube}.v_BubPtMinus Calculation of Derived Parameter from PRO/II to TL Layer In the common data model the SimpleHx in PRO/II is retained as is and the following parameters are calculated. U /Area If Uoverall or Area is also available then the other could be calculated otherwise a value of Uoverall (0.284 kW/m2-K == 50 Btu/hr-ft2-F) will be assumed and Area will be calculated.

UOverallUAValueArea /= Volume of nodes Assume equal volumes for each side. The tube-side volume can be calculated from following equation (Plantwide Dynamic Simulators in Chemical Processing and Control, W. L. Luyben, p.16)

AreaDV *4

=

SIM4ME 155


The pipe diameter can be fixed by selecting a standard pipe size. We will use a pipe with ¾” NPS and pipe schedule of 40 which has

113.0"824.0

"05.1

===

ThicknessIDOD

Total Moles

MwyMassDensitVolMT ⋅=

Flow Conductance

xi

xxiff

xif

ff

f

RRRMWRMW

MW

RRR

MWRP

MWFJ

+

⋅+⋅=

+=

⋅⋅∆

⋅=

2

SIM4ME 156


Calculation of Derived Parameter from TL to Dynsim Layer In TL layer the Total Duty and Uoverall *Area will always be available. Heat Transfer Coefficient

Assume equal heat transfer coefficients for each side. In Dynsim,

( )( ) ( )

⎟⎠⎞

⎜⎝⎛ −

=

−=

+++=

−+=

=+=

sFoulU

h

LMTDAreaQTotalDutyU

TTTTT

TTTAreaUQ

LMTDAreaUQQQTotalDuty

n

sideoutinsideoutinavg

avgoutinn

n

n

Re*0.210.2

*

0.4

*0.20.2

***

21

In above equations, Qn can be calculated using Dynsim’s default value for Un and hence ‘h’. Metal Mass

Based on the volume of side and density of 7760 kg/m3 we can calculate the metal mass.

DensityThicknessAreaMmcalculated **= Utility Maximum Flow

PosWWMax /=

tility Fluid Mass

U

5*WMf =

SIM4ME 157


Spec, Vary and Define This document describes the scope and various scenarios of the PRO II Spec, Vary, and Define utilities translation to the equivalent ROMeo model. Spec and Vary of controller and MVC and internal spec and vary of column are supported while those from Optimizer, Calculator and Stream Calculator are not supported. Base Pro II Model Introduction and Usage Specification The generalized performance specification is a powerful tool with which you can calculate the values for flowsheet operating conditions needed for a desired result. The performance of any unit operation can be controlled by a specification using a controller or MVC. Additionally, for unit operations like the flash, column and splitter the performance can be controlled by internal specifications. PRO/II allows numerous stream and unit operation parameters to be selected for specifications. All specifications may simply set a flowsheet parameter at a specified value. Optionally, the specification can be entered as a mathematical expression (sum, difference, product or quotient) between two flowsheet parameters. This is useful when you want to fix the result of a relationship between parameters within the same unit or across different units. Variable The generalized variable parameters are those which can be explicitly varied in order to satisfy the specifications set in unit operations such as controller, MVC and column. There is always a one-to-one relationship between the number of specifications and degrees of freedom (number of parameters that can be varied to achieve the desired result). Define Unit operation parameters are normally given fixed numeric values. The Define system provides an alternative method of setting a unit operation parameter in terms of other unit or stream parameters in the flowsheet. The defined parameter may be set equal to another flowsheet parameter or it may be the sum, difference, product or quotient of any two flowsheet parameters or constants. The parameters on which the defined parameter is based are called Reference Parameters. If the values of the reference parameters change, the defined parameter will automatically be changed as well. Parameters The syntax for Define and Spec in PRO/II is Defined Variable = Primary + math operator + Reference Spec Value = Primary + math operator + Reference

SIM4ME 158


where allowed math operators are “+”, “-“, “/” and “*”. In both cases, Reference could be a variable or a constant and it is optional. In case of Define, Primary could be a variable or a constant while in case of Spec, Primary is always a variable. Spec parameters are subset of define parameters so, only additional define parameters are mentioned after the table of Spec parameters. Spec Parameter Description AbsTol Absolute tolerance (not used so far) RelTol Relative tolerance (not used so far) PriValue Value of Primary RefVal Value of Reference SpecValueCalc Specification value

OperatorCode Math operator (1= '+' operator, 2='-' operator, 3='/' operator, 4='*' operator)

OriginUnitType PRO/II unit code for origin unit PriUnitType PRO/II unit code for unit to which primary variable belongs RefUnitType PRO/II unit code for unit to reference variable belongs

PriBasisFlag Basis for primary (1=mol basis, 2=wt. basis, 3=liq. Vol. basis, 4=gas vol. basis)

RefBasisFlag Basis for reference variable PriColumnTrayNumber Column tray number for primary RefColumnTrayNumber Column tray number for reference

PriParameterClass Parameter class for primary (0=undefined, 1=stream related, 2=total feed to unit, 3=column tray internal flow, 4=unit op, 5=unit op spec, 6=constant value, 7=thermo, 8=reaction, 9=tag)

RefParameterClass Parameter class for reference

PriPhaseFlag Phase flag for primary (0=mixed, 1=vapor, 2=total liquid, 3=m.w. solids, 4=n.m.w comp, 12=liquid 1, 22=liquid 2)

RefPhaseFlag Phase flag for reference

PriStreamProperty1 Stream property for primary (201-temperature, 202-pressure, 211-rate, 212-enthalpy, 225-liquidfrac, 219-vaporfraction)

RefStreamProperty1 Stream property for reference

PriValueTypeFlag Value type for primary (1=actual value, 2=fraction, 3=percent, 4=parts per million (ppm))

RefValueTypeFlag Value type for reference PriVectorVatEntry Index of Primary variable, if vector RefVectorVatEntry Index of Reference variable, if vector PriWetDryBasisFlag Wet/Dry basis flag (1=wet, 2=dry) RefWetDryBasisFlag Wet/Dry basis flag ToleranceFlag 1=absolute value, 2=relative value, 3=percent ToleranceType 1=pressure, 2=temperature, 3=duty, 4=miscellaneous TypeOfInfomation 1=spec, 2=define, 3=vary, 4=change,5=objective, 6=constraint OriginUnitID Unit ID of unit of origin PriBegCompID Component ID of beginning component (primary) RefBegCompID Component ID of beginning component (reference) PriEndCompID Component ID of ending component (primary)

SIM4ME 159


Spec Parameter Description RefEndCompID Component ID of ending component (reference) PriStreamID Stream ID for primary RefStreamID Stream ID for reference PriUnitID Unit ID for primary RefUnitID Unit ID for reference PriVatEntryNumber Primary variable name RefVatEntryNumber Reference variable name PriVectorVatName String element of Primary vector variable RefVectorVatName String element of Reference vector variable PriDimenUnit UOM for primary RefDimenUnit UOM for reference

IsSupported Flag to indicate whether it should be translated further (0 – no, 1 – yes)

Additional Define Parameter Description

DefEstimate Estimate for define variable (not used so far)

DefBasisFlag Basis for define (1=mol basis, 2=wt. basis, 3=liq. vol. basis, 4=gas vol. basis)

DefParameterClass Parameter class for define (0=undefined, 1=stream related, 2=total feed to unit, 3=column tray internal flow, 4=unit op, 5=unit op spec, 6=constant value, 7=thermo, 8=reaction, 9=tag)

DefValueTypeFlag Value type for define (1=actual value, 2=fraction, 3=percent, 4=parts per million (ppm))

DefVectorVatEntry Index of Define variable, if vector DefWetDryBasisFlag Wet/Dry basis flag (1=wet, 2=dry) DefInternalStreamID Stream ID of internal stream DefUnitID Unit ID of unit of define variable DefVatEntryNumber Define variable name DefVectorVatName String element of Define vector variable DefDimenUnit UOM for define Vary Parameter Description AbsPerturbSize Absolute perturbation size (not used so far) RelPerturbSize Relative perturbation size (not used so far) PerturbFactor Perturbation factor (not used so far) MaxStepSize Maximum step size (not used so far) MaxValueCalc Maximum value of range for variation MinValueCalc Minimum value of range for variation MinMaxFlag 0=not mini/maxi, 1=mini, 2=maxi, 3=mini and maxi OriginUnitType PRO/II unit code for origin unit VarUnitType PRO/II unit code for unit to which variable belongs

VarBasisFlag Basis for variable (1=mol basis, 2=wt. basis, 3=liq. vol. basis, 4=gas vol. basis)

VarColumnTrayNumber Column tray number for variable

SIM4ME 160


VarParameterClass Parameter class for variable (0=undefined, 1=stream related, 2=total feed to unit, 3=column tray internal flow, 4=unit op, 5=unit op spec, 6=constant value, 7=thermo, 8=reacton, 9=tag)

VarStreamProperty1 Stream property for variable (201-temperature, 202-pressure, 211-rate, 212-enthalpy, 225-liquidfrac, 219-vaporfraction)

VarValueTypeFlag Value type for variable (1=actual value, 2=fraction, 3=percent, 4=parts per million (ppm))

VarVectorVatEntry Index of variable, if vector VarWetDryBasisFlag Wet/Dry basis flag (1=wet, 2=dry) TypeOfInfomation 1=spec, 2=define, 3=vary, 4=change,5=objective, 6=constraint OriginUnitID Unit ID of unit of origin VarInternalStreamID Stream ID of internal stream VarStreamID Stream ID for variable VarUnitID Unit ID for variable VarVatEntryNumber Variable name VarVectorVatName String element of vector variable VarDimenUnit UOM for variable

IsSupported Flag to indicate whether it should be translated further (0 – no, 1 – yes)

Equivalent Dynsim Model / Models There is no equivalent Dynsim model. Spec, Vary and Define used in PRO/II flowsheet is ignored during translation to Dynsim. Equivalent ROMeo Model – Flowsheet Customization Introduction and Usage of the Model All Spec, Vary and Define given in a PRO/II flowsheet are translated into a single flowsheet customization in ROMeo database where the variable(s) is either set as independent or dependent or set up in an equation form. PRO/II allows user to vary flowrates of recycle loop streams via controller. In ROMeo, it is not possible to do this using customization because the recycle stream flow variable is a

Parameters

Parameter

dependent variable. This leads to a customization error during translation. User should modify the translated flowsheet appropriately.

RM holders has following parameters, which are used to facilitate the translation.

Description

IsFixFreeEqn 1-fix, 2- free, 3-equation IsEqnRHSValue 0- string,1-value,2-both IsTranslate 0-dont translate, 1- translate IsValueFirst 0-string first, 1- value first

SIM4ME 161


Parameter

Description

IsCompSpec Flag to indicate whether it’s a component spec FixValue Value for independent variable EqnRHSValue RHS value of equation FreeVarMax Upper bound for dependent variable FreeVarMin Lower bound for dependent variable DepAttrName Define variable name DepUnitName Name of unit to which define variable belongs EqnString Equation string FreeVarAttrName Dependent variable name FreeVarUnitName Name of unit to which dependent variable belongs FixVarAttrName Independent variable name FixVarUnitName Name of unit to which independent variable belongs EqnStrUOMClass UOM class for equation string EqnStrUOMUnit UOM unit for equation string EqnValUOMClass UOM class for equation value EqnValUOMUnit UOM unit for equation value FixVarUOMClass UOM class for independent variable FixVarUOMUnit UOM unit for independent variable FreeVarUOMClass UOM class for dependent variable FreeVarUOMUnit UOM unit for dependent variable Equivalent Hysys Model – SetOp and Adjust Introduction and Usage HYSYS™ has two models that perform similar operations to the PRO/II SPEC, VARY, DEFINE functionality namely, SetOp Unit and Adjust Unit. SetOp Unit The SetOp unit transfers information between flowsheet objects using a generalized form of:

Parameter

SET <Target> AS <Multiplier> * <Source> + <Offset> <Target> and <Source> can be attributes of a Unit Operation, Process stream, or Energy stream. <Multiplier> and <Offset> are constant values. Parameters - SetOp

Description TargetObject The name of the Target object. TargetObjectType The type of the Target object e.g. EnergyStreamObject,

MaterialStreamObject, ExpanderOpObject etc. TargetVarDescription Text string describing the attribute of both the Target and

Source objects. For example, Temperature, Power, and Duty. Note that there is no equivalent for the Source object – the TargetVarDescription applies to both.

SourceObject The name of the Source object.

SIM4ME 162


Parameter Description SourceObjectType The type of the Source object. For example,

EnergyStreamObject, MaterialStreamObject, ExpanderOpObject.

Multiplier The value of the constant multiplier Offset The value of the constant offset. Adjust Unit The Adjust unit performs the equivalent of a Controller in PRO/II. It can adjust an operating parameter in the flowsheet to achieve a desired value for a specified calculated result. Parameters - Adjust Parameter Description AdjustedObject The name of the Adjusted object. AdjustedObjectType The type of the Adjusted object. For example,


AdjustedVarDescription Text string describing the attribute of the Adjusted object. For example, Temperature, Power, Duty.

MinAdjustedVariable The minimum allowable value of the Adjusted variable (not currently used)

MaxAdjustedVariable The maximum allowable value of the Adjusted variable (not currently used)

MaxIterations Maximum number of iterations (not currently used) StepSize Maximum allowable step size (not currently used) The target specification can take two alternative forms: <TargetVariable> = <Value> +/- <Tolerance> Or <TargetVariable> - <MatchingVariable> = <Offset> +/- <Tolerance> Parameters - Target Parameter Description TargetObject The name of the Target object TargetObjectType The type of the Target object. For example,


TargetVarDescription Text string describing the attribute of both the Target and Matching objects. For example, Temperature, Power, and Duty. Note that there is no equivalent for the Matching object – the TargetVarDescription applies to both.

NewSourceSelection Text variable which determines the form of the specification: “User Supplied” for <TargetVariable> = <Value> Otherwise for <TargetVariable> - <MatchingVariable> = <Offset>

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Parameter Description MatchingObject The name of the Matching object MatchingObjectType The type of the Matching object e.g. EnergyStreamObject,

MaterialStreamObject, ExpanderOpObject etc. TargetVariable The target value when the specification is

<TargetVariable> = <Value> MatchingOffset The offset value when the specification is

<TargetVariable> - <MatchingVariable> = <Offset> Tolerance Absolute Tolerance Common Data Base Structure There is one to one correspondence between P2 and TL parameter and their names are same so, its not repeated here. The exceptions are: Def/Pri/Ref/VarVatEntryNumber is changed to Def/Pri/Ref/VarUnitAttrName in TL layer. Def/Pri/Ref/VarDimenUnit is split into Def/Pri/Ref/VarUOMClass and Def/Pri/Ref/VarUOMUnit in TL layer. Limitations PRO/II to ROMeo At present, translator does not support the following:

• Spec/Vary of thermodynamic, reaction or tag data. • Spec/Vary/Define from Calculator, Stream Calculator or Optimizer. • VARYing of unit operation’s internal specifications in controller or MVC. • Spec/Vary of Stream properties other than rate, composition (molar basis only),

temperature, pressure, specific enthalpy, liquid fraction and vapor fraction. • Spec/Vary/Define of any PRO/II variable that does not have one to one correspondence

in target product (ROMeo).

HYSYS to PRO/II At present, the translator does not support the following:

• Spec/Vary of thermodynamic, reaction or tag data • Column.

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Splitter This document describes the scope and various scenarios of the PRO II Splitter translation to the equivalent Dynsim, ROMeo and HYSYS™ model. Base PRO/II Model Introduction and Usage of the Model This model is used to mix multiple streams and split the total flow rate between them based on the specifications.

The temperature and phase of the outlet streams of the splitter unit are determined by performing an adiabatic flash calculation at the specified pressure, and with duty specification of zero. The composition and phase distribution of each product stream will be identical. One feed stream or mixtures of two or more feed streams are allowed. For a Splitter unit having M number of declared products, (M – 1) product specifications are required. This properly implies the Splitter requires a minimum of two product streams, and every product stream except for one must have a product specification Parameters

Parameter UOM Description PressCalc kPa This variable is similar to TempCalc and should be identical to

the pressure of the MergedProduct stream. It may be different from the PressIn parameter, which is set by the user and is not changed by the unit calculations. The PressCalc value is assumed correct and consistent value. PressIn should not be used.

PressDropCalc kPa This is the calculated value of pressure drop across the Splitter. See TempCalc and PressCalc

TempCalc K This is the temperature of the splitter product streams and should be identical in value to that of the MergedProduct stream. PRO/II uses this variable to make the product stream temperatures available to other units through the spec/vary/define subsystem. The value is set during the PRO/II flow sheet solve

CurrentFeeds The number of feed streams currently attached to the unit CurrentProducts The number of product streams currently attached to the unit PressInFlg Pressure specification flag. 1 – Pressure drop 0 – Outlet pressure

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Parameter UOM Description MergedFeed The stream ID of the merged feed stream MergedProduct The stream ID of the merged product stream. This is an internal

product stream that is used to set the Temperature, Pressure, enthalpy and composition of all product streams

FeedData A vector containing the IDs of all of the feed streams. FeedData does not contain specific data such as the temperature, pressure, or composition of the individual streams, only the ID of the stream. In PRO/II the ID can be used to retrieve the stream data block which contains a complete description of the stream

ProductData A vector containing the IDs of all the product streams. See FeedData

Equivalent Dynsim Model / Models: Header Introduction and Usage of the Model

Header includes both COMPRESSIBLE and INCOMPRESSIBLE options for holdup dynamics. The INCOMPRESSIBLE dynamics option is the default and can be used for either vapor, liquid or two-phase fluids.

UOM

The Header is a pressure node that can be used to model flow mixing, flow splitting, and piping holdup dynamics.

The iterated and explicit solution options are available for pressure calculations. The iterated solution option is used for INCOMPRESSIBLE and small volume COMPRESSIBLE systems. The explicit solution option is used for large volume compressible systems and for decoupling large incompressible pressure flow networks. Parameters Static Parameters to Database Header Parameter Description Vol m3 Header volume Area m2 Header surface area Mm kg Header metal mass Parameters to States.dat

Header

Parameter UOM Description Z [0]...........Z [i] FLASH.Z [0]...FLASH.Z [i] fraction Composition

H & FLASH.H kJ/kg-mol Enthalpy P & FLASH.P kPa Pressure T & FLASH.T K Temperature

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Parameter UOM Description FLASH.VF fraction Vapor Fraction FLASH.LF1 fraction Liquid Fraction 1 FLASH.LF2 fraction Liquid Fraction 2 FLASH.R kg-mol/m3 Molar Density FLASH.MW Molecular Weight

Equivalent ROMeo Model / Models: Mixer/Valve - Splitter Introduction and Usage of the Model The Splitter unit models the division of a single feed stream into two or more product streams. The principal operating specification for the Splitter unit is the portion of the feed stream that exits the unit in each product stream. This specification may be given in relative terms (fraction of feed leaving in each product stream) or in absolute terms (flowrate in each product stream). The Splitter unit operation models the splitting of a feed stream into two or more product streams. The temperature, pressure, and composition of the product streams are identical to those of the feed stream. The Splitter model allows multiple product streams but is restricted to a single feed stream.

You must specify one of the product streams as the “dependent” stream. ROMeo automatically adjusts the flowrate of the dependent stream so that the summed flow rates of the activated (ON) product streams equal the flowrate of the feed stream. The independent (non-dependent) flowrates or fractions will be fixed at the values you enter. If the sum of the independent flowrates exceeds the feed rate, a warning will be issued during Generate Estimates, and the flowrate of the dependent stream will be initialized to a small positive value. If, at convergence, any product stream has a negative rate, the Splitter will return an error when you Check Solution Validity. The Splitter model is independent of the number of phases in the feed stream and may thus be used with VLE or VLLE systems.

Splitter model allows multiple product streams but is restricted to a single feed stream. A Mixer is added at the inlet when multiple feed streams are encountered in PRO/II Splitter. There are no pressure specifications in the Splitter model. A Valve is added at the inlet to account for pressure imbalance arising due to pressure specification in PRO/II splitter.

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Equivalent HYSYS Model: Tee Introduction and Usage of the Model

HYSYS™ equivalent for Splitter is Tee. This operation splits one feed stream into multiple product streams with the same conditions and compositions as the feedstream. Flow Ratio is generally between 0 and 1. If a ratio greater than one is specified, then one of the outlet streams will have a negative flow-ratio and negative flow (backflow). Split-Ratio is usually given in the Splitter flowsheets. Parameters

Parameter/Variable Type Description FLOATARRAY:OFTFR ALIAS x_ProductStream.OutFlowToFlowRatio.Valu

LONG OutFlowToFlowRatio: splitRatio

FLOATARRAY:IsNormal ALIAS x_ProductStream.Stream.TaggedName.NormalizationStatus

Float Check to see if normal

FeedStreams ALIAS x_FeedStream.Stream.TaggedName

StringArray

Feed Streams

ProductStreams ALIAS x_ProductStream.Stream.TaggedName

StringArray

Product Streams

STRING:FluidPkg ALIAS FluidPackage.FluidPackage

String Fluid Package

Common Data Base Structure Units of Measure Internal Units of Measure for the Common Data Base Structure is in SI units Parameters Parameter UOM Description LiquidFraction fraction Liquid fraction Liquid2Fraction fraction Water Fraction VaporFraction fraction Vapor fraction PresDropCalc kPa Pressure drop Pressure kPa Pressure ResidenceTime Residence time for volume calculations sec SpecificEnthalpy kJ/kg Specific enthalpy Temperature K Temperature TotalMoles mol Total moles Volume m3 Volume

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Parameter UOM Description CompMoleFraction fraction Vector holding the mole fractions of each component CompMolesState mol Vector holding the moles of each of the component LiquidComposition Vector holding the Liquid Composition Liquid2Composition Vector holding the Liquid2 Composition VaporComposition Vector holding the Vapor composition IsMixer Flag to indicate PRO/II unit from which Header is mapped. 1-

Mapped from Mixer 0 – Mapped from Splitter NumOfFeeds The number of feed streams currently attached to the unit NumOfProds The number of product streams currently attached to the unit PresChoice Pressure specification flag. 1 – Pressure drop 0 – Outlet

pressure FeedStreams A vector containing the IDs of all the feed streams. ProdStreams A vector containing the IDs of all the product streams.

Calculation of Derived Parameter from PRO/II to TL Layer The Splitter in PRO/II is translated to Header in TLLayer. Volume, total moles, and individual component moles characterize the TLHeader. These parameters are calculated as follows:

][.Pr][.Pr

.Pr/.Pr

iactionCompMoleFroductMergedTotalMolesitateCompMolesSyBulkDensitoductMergedVolumeTotalMoles

yBulkDensitoductMergedFlowTotalMolaroductMergedTimeResidenceVolume

⋅=⋅=

⋅=

Calculation of Derived Parameter from TL to Dynsim Layer When TLHeader is translated to DS header additional parameters such as area of heat transfer and metal mass should be calculated. The DSHeader parameters are calculated as follows:

)/7760(

//4

3

3

mkgDensitytyMolarDensiHeightThicknessDiameterMassMetal



=

⋅⋅⋅⋅=⋅⋅=⋅=

⋅⋅

=

ππ

π

Calculation of Derived Parameter from TL to ROMeo Layer

There is no derived parameter calculation for translation from TL to Dynsim layer mapping.

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Stream This section describes the scope and various scenarios of the PRO/II Stream translation to Dynsim and ROMeo Stream. Base PRO/II Model Introduction and Usage of the Model The streams in PRO/II can contain any number of components and can exist in mixed phases. It is used to establish connectivity between the unit operation modules. The feed stream sets the composition and thermal condition that will be used by the unit operation module for calculation. Similarly, the unit operation usually sets the composition and condition of its outlet streams after the calculation is completed. There are other classes of streams such as MergedFeed and MergedProduct streams. These are used by the unit operation modules for internal calculations. MergedFeed stream holds the flash results of mixed inlet streams. MergedProduct stream holds the properties of the stream at the outlet condition of the unit operation module prior to phase separation (if any). Parameters

Description Parameter UOM Temperature K Temperature Pressure kPa Pressure

TotalMolarRate kg-mol/hr Molar flow rate

TotalMolarEnthalpy kJ/kg-mol Molar enthalpy

VaporFraction fraction Vapor fraction LiquidFraction fraction Liquid fraction Liquid2Fraction fraction Second liquid phase fraction WaterFraction fraction Water fraction BulkMw Molecular weight BulkDensity kg/m3 Mass Density BulkEntropy Entropy VaporZFmDensity Vapor compressibility factor TotalComposition fraction Vector holding stream mixed composition VaporComposition fraction Vector holding stream vapor composition LiquidComposition fraction Vector holding stream liquid composition

Liquid2Composition fraction Vector holding composition of second liquid phase

~COMPSLATE Component slate

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Equivalent Dynsim Model / Models - Stream Introduction and Usage of the Model Process stream is used to connect equipment models. The streams support for reverse flow, reduces model complexity and overhead by using mixed property and enthalpy basis, includes density and molecular weight to pass to downstream flow devices. Parameters to States.dat Parameter UOM Description F kg-mol Molar flow T K Temperature P kPa Pressure H kJ/kg-mol Enthalpy Z fraction Specific composition MW Molecular weight VF fraction Vapor fraction R Molar density kg-mol/m3

Equivalent ROMeo Model / Models – Stream

Introduction and Usage of the Model

Stream is used to connect unit operation modules. It can be used for including objective functions, adding value equations, selecting properties for viewing in the Report etc. Parameters Parameter UOM Description Temp K Temperature Pres kPa Pressure MoleFrac fraction Composition PhaseFrac fraction Phase fraction

Prop Array for holding the stream properties (Enthalpy, Density etc)

Flow Array for holding the stream flows (mass, molar, volumetric etc)

EnableStreamEcon Integer parameter to select stream economics

Equil.PhasePresence

• 1 – phase must be present

Integer array to indicate the presence of phase in the stream.

• -1 – phase must not present • 0 – phase may be present

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~Props Array holding the stream property domain (Enth, Dens etc)

~Flows Array holding the flow domain (Mass, Vol etc) ~COMPSLATE Component slate ~DOMAIN_MoleFrac Mole fraction is defined over this domain. ~DOMAIN_PhaseFrac Phase fraction is defined over this domain ~DOMAIN_Prop Stream properties are defined over this domain ~DOMAIN_Flow Stream flows are defined over this domain Equil.~DOMAIN_PhasePresence Phase presensce is defined over this domain Liq.~DOMAIN_MoleFrac Liquid mole fraction is defined over this domain Vap.~DOMAIN_MoleFrac Vapor mole fraction is defined over this domain

Liq2.~DOMAIN_MoleFrac Second Liquid phase mole fraction is defined over this domain (dynamically created only if phase exists)

Liq.MoleFrac fraction Liquid phase composition (dynamically created only if phase exists)

Liq2.MoleFrac fraction Second liquid phase composition (dynamically created only if phase exists)

Vap.MoleFrac fraction Vapor phase composition (dynamically created only if phase exists)

Note: All properties prefixed by tilds (~) are not ROMeo properties. These are used by RMAccess to set properties in ROMeo database.

Parameters


Common Data Base Structure – Stream

Temperature K Temperature Pressure kPa Pressure MolarFlow Molar flow kg-mol/sec SpecificEnthalpy Specific enthalpy kJ/kg-mol Vapor fraction Vapor fraction fraction Liquid Fraction fraction Liquid fraction Liquid2Fraction fraction Second liquid phase fraction MW Molecular weight SpecificEntropy Specific entropy MolarDensity kg-mol/m3 Molar density VaporZFmDensity Vapor compressibility factor CompMoleFraction fraction Overall composition VaporComposition fraction Vapor phase composition LiquidComposition fraction Liquid phase composition

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Parameter UOM Description Liquid2Composition fraction Second liquid phase composition

Calculation of Derived Parameter from PRO/II to TL Layer

MWyMassDensittyMolarDensi =

Calculation of Derived Parameter from TL to Dynsim Layer There is no derived parameter calculation for translation from TL to Dynsim layer mapping. Calculation of Derived Parameter from TL to ROMeo Layer There is no derived parameter calculation for translation from TL to ROMeo layer mapping.

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Stream Calculator

Parameters

Description

This section describes the scope and various scenarios of a HYSYS™ Component Splitter translation to a PRO/II Stream Calculator. Base PRO/II Model – Stream Calculator Introduction and Usage of the Model The stream calculator is a flexible unit that allows blending of any number of feed streams and produce top and bottom product with defined composition and thermal condition. The product streams can be further split into individual phases as in a Flash unit operation. A pseudo product can also be created which does not affect the material and energy balance of the unit.

Valve Parameter UOM

FeedData



OvhdRecov Fraction A vector of fraction which determines the amount of feed going into the Overhead product stream.

OvhdPress kPa

Overhead stream pressure. It may be different than the OvhdPressIn parameter, which is set by the user and is not changed by the unit calculations

OvhdTemp K

Overhead stream pressure. It may be different than the OvhdTempIn parameter, which is set by the user and is not changed by the unit calculations

BtmsPress kPa

Overhead stream pressure. It may be different than the BtmsPressIn parameter, which is set by the user and is not changed by the unit calculations

BtmsTemp K

Overhead stream pressure. It may be different than the BtmsTempIn parameter, which is set by the user and is not changed by the unit calculations

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Equivalent HYSYS Model: Component Splitter Introduction and Usage of the Model HYSYS™ Component Splitter is a utility model to separate top and bottom products based on user specified split fraction. Any number of feed and overhead product streams can be connected to this unit. The user defines the product splits of each of the overhead product and thermal condition of the overhead product stream by setting appropriate inputs for Pressure-Temperature (PT), Pressure-Enthalpy (PH) or Pressure-VF flashes. Parameters Valve Parameter UOM Description FeedStreams ALIAS x_FeedStream. AttachmentName

None The array of feed streams currently attached to the unit

OverheadProduct ALIAS x_OverHeadStream.Stream. TaggedName

None The array of overhead product streams currently attached to the unit

BottomProduct ALIAS BottomsStream.Stream. TaggedName

kPa Bottom product stream

SplitFractionValSet ALIAS x_SplitFractionSet.x_SplitFraction.FractionToOverhead

Array of array of split fraction. It holds the values of split fraction of each overhead stream for each of the components

Common Data Base Structure ProII Valve Parameters TL Parameter HYSYS Parameters FeedData FeedStreams FeedStreams ALIAS x_FeedStream.AttachmentName

ProductData ProdStreams

OverheadProduct ALIAS x_OverHeadStream.Stream.TaggedName BottomProduct ALIAS BottomsStream.Stream.TaggedName

OvhdRecov RecoveryFraction SplitFractionValSet ALIAS x_SplitFractionSet.x_SplitFraction.FractionToOverhead

BtmsTemp BottomTemperature BtmsPress BottomPressure OvhdTemp OverheadTemperature OvhdPress OVerheadPressure

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Valve

This section describes the scope and various scenarios of the PRO/II Valve translation to the Dynsim and ROMeoValve and HYSYS™ Valve and Relief Valve to a PRO/II Valve.

Base PRO/II Model Introduction and Usage of the Model

The valve unit operates in a similar manner to an adiabatic flash. The outlet pressure, or the pressure drop across the valve is specified, and the temperature of the outlet streams is computed for a total duty specification of 0. The outlet product stream may be split into separate phases. Both VLE and VLLE calculations are allowed for the valve unit. One or more feed streams are allowed for this unit operation.

UOM

Units of Measure Internal Units of Measure for the Dynsim are mostly in SI units and the deviations are consistent across PRO/II and Dynsim

Parameters Parameter Description CurrentFeeds The number of feed streams currently attached to the unit


MergedFeed

The stream ID of the merged feed stream. This is an internal feed stream that is used to set the mixed feed stream Temperature, Pressure, enthalpy and composition of all feed streams


FeedData

A vector containing the IDs of all of the feed streams. FeedData does not contain specific data such as the temperature, pressure, or composition of the individual streams, only the ID of the stream. In PRO/II the ID can

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Parameter UOM Description be used to retrieve the stream data block which contains a complete description of the stream


TempCalc K

This is the temperature of the Valve product streams and should be identical in value to that of the MergedProduct stream. PRO/II uses this variable to make the product stream temperatures available to other units through the spec/vary/define subsystem. The value is set during the PRO/II flowsheet solve

PressCalc kPa

This variable is similar to TempCalc and should be identical to the pressure of the MergedProduct stream. It may be different than the PressIn parameter, which is set by the user and is not changed by the unit calculations. PressCalc should be assumed to be a correct and consistent value. PressIn should not be used.

PressDropCalc kPa This is the calculated value of pressure drop across the Valve. See TempCalc and PressCalc

PressInFlg This integer indicates the spec provided by user. For pressure spec its value is “0” and for pressure drop spec its value is “1”

ProductStoreData Vector that stores information about the product stream phases

Equivalent Dynsim Model / Models – Header - Valve – Drum Introduction and Usage of the Model The valve is a flow device in Dynsim and it will accept only single inlet and single outlet. The flow rate of the valve is calculated using the Cv. Valve also had an optional flash flag, which will flash the product and recalculate the properties. Header is used for mixing up all streams and sending a single MergedFeed to Flow Device. Drum is used for the phase separation and streams are connected to various ports based on the product phase specifications. Parameters Static Parameters to Database Parameter UOM Description Cv Cv Flow conductivity

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Parameters to States.dat Parameter UOM Description J (kg/sec)/sqrt(kPa-kg/ m3) Volume OP fraction Valve opening POS fraction Valve stem position DP kPa Pressure drop L fraction Normalized valve lift

Equivalent ROMeo Model: Valve

• An empirical correlation that relates valve stem position, feed (and sometimes product) conditions (e.g. flow rate, temperature, molecular weight, density) to the pressure drop, or

For initialization, the Valve unit copies the values from the feed stream to the product stream, taking into account the change in pressure. If the individual phase compositions of the product stream are required, ROMeo performs a black box adiabatic flash of the product stream.

Description

Introduction and Usage of the Model The ROMeo Valve unit operation models the adiabatic pressure drop of a fluid through a single-input, single-output valve. If a mixed phase product stream is required, a Flash unit operation must be included downstream to model for separation of the phases. Specifications:

• Outlet pressure, or • Pressure drop across the valve, or

• An empirical correlation with Pressure Drop One of the following correlations is available for calculation purpose.

• Fisher Liquid Valve • Generic Rate Correlation • Honeywell Gas Valve • Simple Valve Gain • Valve Gain

Parameters Parameter UOM v_Pres kPa Pressure of the product stream leaving the mixer v_PresDrop kPa Pressure drop in product stream with respect to a feed stream

PresChoice

Integer for choice of providing specification. The value is “0” if user enters Pres; “1” if user enters Pressure Drop; “2” if user enters correlation and “3” if user enters Pressure Drop with Correlation

NegativeDPAction String Parameter to provide Warning/Info/Error for negative DP; Default: Warning

DPCorrelationName String for user selected correlation

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Equivalent HYSYS Model: Valve Introduction and Usage of the Model HYSYS™ performs an isenthalpic flash on the fluid passing through a single-input, single-output valve. HYSYS™ solver is based on Number of degrees of Freedom. Hence, it can calculate an unknown based on the known. The following three variables need to be specified in HYSYS™ for the valve to solve:

• Outlet Pressure • Pressure drop across the valve • Outlet Temperature

Parameters Valve Parameter UOM Description FeedStreams ALIAS x_FeedStream. AttachmentName

The array of feed streams currently attached to the unit

ProdStreams ALIAS x_ProductStream. AttachmentName

The array of product streams currently attached to the unit

Feed ALIAS FeedStream. AttachmentName The stream ID feed stream. Since

HYSYS Valve is a SISO Unit

Prod ALIAS ProductStream. AttachmentName

The stream ID feed stream. Since HYSYS Valve is a SISO Unit

PressureDrop kPa Pressure Drop across the valve. Common Data Base Structure – Valve

UOM

Parameters Parameter Description NumOfFeeds The number of feed streams currently attached to the unit. NumOfProds The number of product streams currently attached to the unit.

FeedStreams

The stream ID of the merged feed stream. This is an internal feed stream that is used to set the mixed feed stream Temperature, Pressure, enthalpy and composition of all feed streams.

ProdStreams

The stream ID of the merged product stream. This is an internal product stream that is used to set the Temperature, Pressure, enthalpy and composition of all product streams.

Temperature K Exit temperature. Pressure kPa Pressure of the product stream leaving the valve.

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Parameter UOM Description PressureDrop kPa Pressure drop in product stream. OP fraction Valve opening. Cv Cv Valve Cv. PresChoice Specification flag. 0 – Outlet Pressure 1 – Pressure drop. P2PressureDrop kPa Pressure drop across PRO/II valve. ProductStoreData Vector that stores information about the product stream phases

LowPDFlag Flag to indicate zero pressure drop. LowPDFlag =1 for PressureDrop < 0.00001kPa, 0 otherwise.

SqrtDP Parameter to store the value of square root of pressure drop used in valve Cv calculations.

Flow Molar flow across valve. Equivalent HYSYS Model: Valve and Relief Valve Introduction and Usage of the Model - Valve HYSYS™ performs an isenthalpic flash on the fluid passing through a single-input, single-output valve. HYSYS™ solver is based on Number of degrees of Freedom. Hence, it can calculate an unknown based on the known. The following three variables need to be specified in HYSYS™ for the valve to solve:

• Outlet Pressure • Pressure drop across the valve • Outlet Temperature

Parameters - Valve Valve Parameter UOM Description FeedStreams ALIAS x_FeedStream. AttachmentName

The array of feed streams currently attached to the unit

ProdStreams ALIAS x_ProductStream. AttachmentName

The array of product streams currently attached to the unit

Feed ALIAS FeedStream. AttachmentName The stream ID feed stream. Since

HYSYS Valve is a SISO Unit

Prod ALIAS ProductStream. AttachmentName

The stream ID feed stream. Since HYSYS Valve is a SISO Unit

PressureDrop kPa Pressure Drop across the valve.

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Common Data Base Structure – Valve Parameters Parameter UOM Description NumOfFeeds The number of feed streams currently attached to the unit. NumOfProds The number of product streams currently attached to the unit.

FeedStreams

The stream ID of the merged feed stream. This is an internal feed stream that is used to set the mixed feed stream Temperature, Pressure, enthalpy and composition of all feed streams.

ProdStreams

The stream ID of the merged product stream. This is an internal product stream that is used to set the Temperature, Pressure, enthalpy and composition of all product streams.

Temperature K Exit temperature. Pressure kPa Pressure of the product stream leaving the valve. PressureDrop kPa Pressure drop in product stream. OP fraction Valve opening. Cv Cv Valve Cv. PresChoice Specification flag. 0 – Outlet Pressure 1 – Pressure drop. P2PressureDrop kPa Pressure drop across PRO/II valve. ProductStoreData Vector that stores information about the product stream phases

LowPDFlag Flag to indicate zero pressure drop. LowPDFlag =1 for PressureDrop < 0.00001kPa, 0 otherwise.

SqrtDP Parameter to store the value of square root of pressure drop used in valve Cv calculations.

Flow Molar flow across valve.

Introduction of the Model – HYSYS™ Relief Valve

HYSYS™ Relief valve is used to release pressure caused by a pressure buildup scenario. Relief valve starts opening if the pressure in the process equals “Set pressure” of the relief valve. It opens completely when the pressure reaches “Full Open pressure”.

A relief valve can be configured by defining following two parameters; • Set Pressure: Pressure where relief valve starts opening • Full Open Pressure: Pressure where relief valve opens completely.

Parameters – Relief Valve

Parameter/Variable Type Description FeedStreams STRINGARRAY Process Feed Stream ProdStreams STRINGARRAY Process Product Stream FluidPkg STRING Fluid Package ValveLift LONG Valve position (open or closed)

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Common Data Base Structure – Relief Valve Parameters ProII Valve Parameters TL valve Parameter HYSYS Relief Valve Parameters CurrentFeeds NumOfFeeds CurrentProducts NumOfProds MergedProduct MergedFeed

FeedData FeedStreams FeedStreams ALIAS x_FeedStream.AttachmentName

ProductData ProdStreams ProdStreams ALIAS x_ProductStream.AttachmentName

TempCalc Temperature PressCalc Pressure PressDropCalc PressureDrop OP Cv ValveLift Calculation of Derived Parameter from PRO/II to TL Layer The following calculations are made from Valve translation from PRO/II to TL layer Valve Cv

RDPOpMWFCv

⋅⋅⋅⋅

=00075379.0

eter from TL to Dynsim Layer Calculation of Derived Param Valve J

CvOpJ *00075379.0 ⋅=

Calculation of Derived Parameter from TL to ROMeo Layer There is no derived parameter calculation for translation from TL to Dynsim layer mapping.

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Validation Validation of the unit operations and flow sheet is performed at various stages to ensure that the translated flow sheet adheres to the Dynsim rules. Feed Validation The feed validation is performed at unit operation level in TL Layer. In PRO/II most of the unit operations can take multiple input streams. In Dynsim, only the pressure-nodes can take multiple input streams while the flow devices like Valve, Expander etc can take only single input stream. Whenever a PRO/II unit operation translates to a flow device in Dynsim, Feed Validation is performed. If there is more than one feed stream a Header is inserted at the upstream, which will account for flow mixing and the resultant mixed product stream is fed to the flow device. The process condition of the inserted Header is updated from the MergedFeed stream of the unit operation module translated. For details of the sizing calculations of the inserted Header, refer to Mixer translation.

Product Validation The product validation is performed at unit operation level in TL Layer. PRO/II allows phase separation for most of the unit operation modules. In Dynsim only Drum and Separator allows phase separation. Whenever a PRO/II unit operation translates to a flow device in Dynsim, Product Validation is performed. When there is more than one product stream a Drum is inserted at the downstream, which will account for phase separation. The process conditions of the inserted Drum are updated from MergedProduct stream, of the unit operation module translated. For details of the sizing calculations of the inserted Drum, refer to Flash translation. Global Validation - Dynsim Global validation is performed at the flow sheet level during TL layer to Dynsim layer translation. This validation is performed to ensure that the translated flow sheet adheres to the Dynsim rules. In Dynsim, any two pressure-nodes should be separated by a flow device. When such a situation is encountered, a Valve or a StreamSet will be inserted between the two pressure nodes. A valve is inserted when the upstream node pressure is more than or equal to the downstream node pressure. The Valve will be sized for a pressure drop of 10kPa and 60% opening. The process conditions of the Valve will be updated based on the upstream conditions. For details about the sizing calculations, please refer to Valve translation.

A StreamSet is inserted when the upstream node pressure is less than the downstream node pressure. A boundary flow will be set in StreamSet to ensure continuous flow despite negative head. These situations arise due to specifications in PRO/II flow sheet, resulting in non-adherence to the pressure-flow concept of Dynsim. When this kind of situation arises, the user may have to modify the PRO/II flow sheet A new stream will be created and attached to the downstream of the Valve/ StreamSet and its process conditions are updated from the upstream.

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Pressure Imbalance Pressure Imbalances are handled at the unit operation level during TL layer to Dynsim layer translation. Pressure Imbalance – Positive Pressure When there are multiple feed streams to a PRO/II unit operation module, the MergedFeed pressure is set as minimum of the inlet stream pressures. When positive pressure drop is set across PRO/II Flash, Mixer or Splitter, the unit pressure will be set to minimum of inlet stream pressure minus the pressure drop. Flow sheets consisting of these kinds of specifications when translated can result in steady state results of PRO/II not matching with that of Dynsim. Whenever such pressure imbalances are encountered, a valve will be inserted. The inserted valve will be sized for a pressure drop based on the magnitude of imbalance. For details about Valve sizing calculations, refer to valve translation. Pressure Imbalance – Negative Pressure

Whenever negative pressure drop is encountered, a StreamSet will be inserted with a boundary flow.

When specifications like negative pressure drop is set across unit operations like Valve, Flash etc, it cannot be directly handled by Dynsim as this does not adhere to the pressure-flow concept.

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