PTT303 /2 PROCESS MODELLING AND

SIMULATIONSEM 1 (2013/2014)

Batch Processing Modelling (Unit Procedures

Initialising)

STUDENT SHOULD BE ABLE TO;

DEMONSTRATE the methods of initialising of operation of unit procedures

SIMULATE the flowsheet of bioprocess production plant

SESSION OUTLINE

Unit procedures initialisationSimulation execution & result

checking

INITIALISING A UNIT PROCEDURE

What a Unit Procedure? Initialising an Operation

WHAT IS A UNIT PROCEDURE?

In the batch modeling mode, a Unit Procedure may consists of various Operations:

Reactor procedure: feed charge, reaction, product withdraw, etc

Filtration procedure: filtration, cake wash, CIP, etc

In continuous modeling mode, a Unit Procedure= Unit Operation

HIERARCHY IN BATCH MODELING

Operation(s) level

Procedure(s) level

Entire plant

The same for continuous process modeling

FUNCTION OF EACH UNIT PROCEDURE

Vessel Procedure (P-1):Acts as a batch reactor to carry out reaction: A + B CHeptane is used to dissolve components A & B, to aid separation in P-2

Plate and Frame Filtration (P-2):Component C is not dissolved in heptane, hence is filtered out by the filter clothHeptane is used to wash out the trapped heptane ( and also the dissolved A & B) from the filter cake

STREAM SPECIFICATION

Click to insert Heptane here

Heptane flow =800 kg/batch

Ingredient flow

T, P = default

SET SPEC FOR STREAM A & B

Stream ID ComponentAmount

(kg/batch)Temperature

Pressure

HeptaneAB

HeptaneAB

8005040

Default

WORKING SESSIONDo not forget to save your work !!!

A QUESTION TO PONDER…

Q: Why do we only specify the inlet stream?

Sequential modular approach

Individual equipment blocks may require iterative solution algorithms

Overall process solution is sequential & not iterative

(Turton et al., 1998)

ADDING OPERATIONS TO P-1

3 Charge operation (to charge A, B and heptane respectively)1 React (Stoichiometric) operation (for reaction to be carried out)1 Transfer Out operation (to deliver product to next unit)

ADDING OPERATIONS TO P-1

Add new operation before the currently selected operation

Add new operation at the end of the list

INITIALISING OPERATIONS IN P-1

INITIALISING CHARGE-1

Vol. flowrate=100 L/min

Setup time = 5 min

800 kg heptane

Emission calculation(next slide…)

EMISSION CALCULATION

Click to perform emission calculation

OK, next operation (CHARGE-2)

OK, previous Operation (none)

Previous operation (same tab –none)

Next operation (same tab)

Go to selected operation

INITIALISING CHARGE OPERATIONOperation Operating condition Emission

CHARGE-1 Charge 800kg/batch of heptane using stream “Heptane”Setup time= 5 minProcess time : 100L/min

Perform heptane emission on this stream

CHARGE-2 Charge 50 kg/batch of A (limiting component) using Stream “A”Setup time = 5minProcess time: calculated based on 20 kg/min

Nil

CHARGE-3 Charge 40/kg batch of B using Stream “B” (B is in excess)Setup time = 5 minProcess time : calculated based on 20 kg/min

Please complete the initialisation of CHARGE-2 & CHARGE-3

INITIALISING REACT-1 & TRANSFER-OUT-1

Operation Operating condition Volumes Reaction

REACT-1 Final temp = 50 °CHeat transfer agent:

steamProcess time = 6 hourLeave other values as

defaults

Max Allowable working/ vessel

volume: 80 %

Extent of reaction = 95 %

Reaction stoichiometryA + B C

TRANSFER-OUT-1

Using stream “Rxt out”Duration: same as Cloth Filtration in P-2 (using

Master-Slave Relationship)

Nil

INITILISING REACT-1 IN P-1

SteamProcess time

= 6 h

Final temp = 50 °C

Max allowable volume = 80 %

INITIALISING REACT-1 IN P-1

Reaction extent = 95 %

Edit reaction stoichiometry

Rename reaction

Add reaction(s)

Delete stoichiometry (when needed)

Molar stoichiometry

OK, next operation (Transfer-out)

INITIALISING TRANSFER OUT

Transfer out stream

Click here to selectMaster-and-Slave to calculate duration

To quit Vessel Procedure

Select the MasterProcedure

Select the Master Operation in

Master Procedure

MASTER-SLAVE RELATIONSHIP

Slave

Master

Master operation – processing step that control the duration of another operation (slave)When simulation is executed, duration calculation for the slave operation will be bypassed (note: M&E balances affected), until the master operation is metBoth master and slave operation may exist in the same procedure or in another procedure

WORKING SESSIONLet’s try before we proceed further…

INITIALISING OPERATION FOR P-2

Cloth Filtration operation (by default, to filter product C)

Cake Wash operation (to wash out left over trapped A & B in filter cake)

Transfer Out operation (to deliver product)

ADDING OPERATIONS TO P-2

INITIALISING OPERATIONS FOR P-2

INITIALISING FILTER-1Operation Operating condition Scheduling

FILTER-1 Particulate component removal: 95% C (assuming that A & B are completely soluble in Heptane & C is virtually insoluble).LOD (loss on drying) = 35% (this value cause a portion of heptane & any soluble component to be held in the wet cake 65% is insoluble C).Filtrate stream: “B + Heptane”

By default, first operation of any batch unit procedure is scheduled to start at the beginning of the batchStart time: relative to the START of TRANSFER-OUT-1 operation in P-1 procedure

INITIALISING FILTER-1

Scheduling

C = 95% removal

LOD = 35%

Filtrate

By default

Filtration will only start when product is

transferred out from P1

INITIALISING CAKE-WASH-1 & TRANSFER-OUT-1

Operation Operation condition

CAKE-WASH-1

Wash In stream: “Wash in”Wash Out stream: “Wash out”Wash solvent: heptane (click on “Composition”, select “Auto-adjust”, the program will estimate a value automatically)Wash time: 30 minutesWash type: slurry (Note: A “slurry” wash will essentially dilute the soluble components trapped in the cake and remove most of them in the wash stream, whereas a “displacement” wash will remove the soluble components form the cake in a plug-flow fashion.)

TRANSFER-OUT-1

Transfer out using stream “C”Duration: calculated based on 10kg/min

WORKING SESSIONRemember to save your file !

SIMULATING A FLOWSHEET

Execute the simulationViewing the results

Simulating a process:1. Menu bar: Task/ Solve M&E balances2. Press “Ctrl 3”3. Solve icon in menu bar4. Press “F9”

RESULT VIEWING

1. Calculated output variables for each oeration can be viewed by revisiting the corresponding Operation Data dialog windows

2. To see the calculated equipment sizes, right click on the unit procedure icon & choose the Equipment Data… option

3. The contents of a piece of equipment as a function of time can be viewed by right clicking on a unit procedure and selecting Equipment Contents or Operation Sequence

4. The calculated flowrates and compositions of intermediate & output streams can be viewed by in the Simulation Data dialog windows of each stream

RESULT VIEWING

5. A list of reports can be viewed in Reports: Stream Reports (SR) Economic Evaluation Report (EER) Itemized Cost Report (ICR) Cash Flow Report (CFR) Throughput Analysis Report (THR) Environmental Impact Assessment Report (EIR) Emission Reports (EMS) Input Data Report (EDR) Equipment Report (EQR)

Let’s visit the one by one…

EQUIPMENT OPERATION DATA

Calculated heptane emission: 0.028%

EQUIPMENT DATA

Calculated vessel volume: 1628 L

EQUIPMENT CONTENT

STREAM SIMULATION DATA

GENERATING A STREAM REPORT

CHECK YOUR SCHEDULING RESULTS

Reaction A B C

MWInitial content, miO (kg)

Initial mol, niO (kg-mol)

X= 95% (based on A)Current mol, n (kg-mol)Current content, m (kg)

nAO-nAOX nBO-nBOX

--

nAOX

+

CHECK YOUR SCHEDULING RESULT Heptane charge =____kg/batch (stream

specification) Volumetric flowrate=___L/min (in Operation

Data/CHARGE-1) Task: Find out the density of the heptane stream

from your simulation sheet Verify the heptane charging duration

calculated by SPD heptane

DO NOT JUST TAKE THE COMPUTER’S WORD

AS IT IS, PLEASE CHECK YOUR RESULTS

ACCORDINGLY!!!REMEMBER THE GIGO PRINCIPLE