Aspen Plus Training Course
Transcript of Aspen Plus Training Course
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Aspen Plus Training Course- Day 1General Introduction & Property Model Establishment
Lecturer: JK Cheng ()
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Synthesis versus Analysis (Need Simulation!)
We need Process model to help on both cases.
Be careful when using process model.
Why Process Simulation?
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Improvement
Debottleneck
Retrofit
Optimization.
Process Model
FundamentalTheory
& Assumption
EngineersInsight &
Experience
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Hierarchy of Process Simulation
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Plant-wide
Process
Unit Operation Model
Kinetic Model (optional)Physical Property Model
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Why Important
for Physical Property?
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The thermo-physical-chemical properties and
molecular information are always used as input data.
If those information are unavailable or inaccuracy, it
would be difficult to improve the process. (Garbagein Garbage out)
It may also be a disaster to the plant operation.
http://www.molinstincts.com/home/movie/playwhy
video.html (video)
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aspenONE Engineering Suit
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What Aspen Plus Provides
Physical Property Models
Worlds largest database of pure component and phase equilibrium
data for conventional chemicals, electrolytes, solids, and polymers
Regularly updated with data from U. S. National Institute of Standards
and Technology (NIST)
Comprehensive Library of Unit Operation Models
Addresses a wide range of solid, liquid, and gas processing equipment
Extends steady-state simulation to dynamic simulation for safety and
controllability studies, sizing relief valves, and optimizing transition,
startup, and shutdown policies
Enables you build your own libraries usingAspen Custom Modeler or
programming languages
Ref: Aspen Plus Product Brochure6
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Agenda
Startup in Aspen Plus (Basic Input)
Property Model Building-up
Chemical Component Input
Thermodynamic Model Selection Model Parameter Input
Basic Property Calculation
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Introduction to Aspen Plus
Startup in Aspen Plus
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Start with Aspen Plus
Aspen Plus User Interface
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Aspen Plus Startup
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Interface of Aspen Plus
Process Flowsheet Windows
Model Library (View| Model Library )
Stream
Status message11
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More Information
Help for Commands for Controlling Simulations 12
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Data Browser
The Data Browser is a sheet and form viewer with a
hierarchical tree view of the available simulation
input, results, and objects that have been defined
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Status Indicators
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Basic Input
The minimum required inputs to run a simulation
are:
Setup
Components
Properties
Streams
Blocks
Property Analysis
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Process Simulation
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Setup Specification
Run Type
Input mode
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Setup Run TypeRun Type Description Use to
Assay Data AnalysisA standalone assay data
analysis/pseudocomponents generation run
Analyze assay data when you do not want to
perform a flowsheet simulation in the same run.
Data Regression
A standalone data regression run. Can contain
property constant estimation and property analysis
calculations.
Fit physical property model parameters required
by Aspen Plus to measured pure component,
VLE, LLE and other mixture data. Aspen Plus
cannot perform data regression in a Flowsheet
run.
Properties Plus A Properties Plus setup run
Prepare a property package for use with Aspen
Custom Modeler, with third party commercialengineering programs, or with your company's
in house programs.
You must be licensed to use Properties Plus.
Property Analysis
A standalone property analysis run. Can contain
property constant estimation and assay data
analysis calculations.
Perform property analysis by generating tables
of physical property values when you do not
want to perform a flowsheet simulation in the
same run.
Property Estimation A standalone property constant estimation run
Estimate property parameters when you do not
want to perform a flowsheet simulation in the
same run.
Flowsheet
A Flowsheet run (including sensitivity studies and
optimization). also include the following
calculations: Property estimation, Assay data
analysis and Property analysis
Perform process simulations
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Components Specification
Input components
with Component name or Formula
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Input components
Remark: If available, are
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Specification
To do this Click this button
Find components in the databanks Find
Define a custom component that is not in
a databank
User Defined
Generate electrolyte components and
reactions from components you entered
Elec Wizard
Reorder the components you have
specified
Reorder
Review databank data for componentsyou have specified (Retrieved physical
property parameters from databanks.)
Review
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Find Components
Click Find
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Find Components (contd)
Input Component name or Formula or CAS number
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Aspen Plus Training Course
Physical Model Estabilishment
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How to Establish Physical
Properties
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Property Method
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Definition of Terms
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Physical Property Models
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Ideal Vs. Non-ideal Behavior
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Phase Equilibrium Criteria
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Equation of State Model
vs Activity Coefficient Model
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Peng-Robinson EOS:
fugacity Calculation
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The parameters should be expressible in
terms of the critical properties (Pc adTc) and the acentric factor.()
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Activity Coefficient Model:
Wilson Model
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Activity Coefficient Model:
Non-Random Two-Liquid (NTRL)
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How to Select Property Model
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35Reference: http://www.et.byu.edu/groups/uolab/files/aspentech/
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Model for Common Solutions
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/
: PR , SRK
(): BKI0
(50 atm) :
Chao-SeaderGrayson-Streed ()
{}:Wi l son
NRTL UNIQUAC
{}: UNIFAC
/
/ /
(C02, N2, H2) Henry's constant
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More Suggestions
for aqueous organics, NRTL
for alcohols, Wilson
for alcohols and phenols, Wilson
for alcohols, ketones, and ethers Wilson or
Margules (Wilson is preferred due to its improvedability to correct for changes in temperature)
for C4-C18 hydrocarbons, Wilson
for aromatics Wilson or Margules (Wilson ispreferred due to its improved ability to correct for
changes in temperature) When in doubt for VLE calculations, use the
Wilson equation.
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Choice Thermodynamic Models
Used in the Process
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Properties Setting in Aspen Plus
Process type(narrow the number of
methods available)
Base method: IDEAL, NRTL, UNIQAC, UNIFAC
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Select Properties
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Property Method Selection Assistant
Interactive help in choosing a property method
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Specify Component type
Chemical Systems
Is the system at high pressure?
(NO)
Two liquid phases
Assistant Wizard
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Thermodynamic Model NRTL
NRTL
Vapor EOS
Liquid gamma
Liquid enthalpy
Liquid volume
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Modify Property Model
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Check Modify Property Model
Specify New Method Name
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How to Establish Physical
Properties
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Pure Component Parameter (1)
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Typical Antoine Equation
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Pure Component Parameter(2)
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Pure Component Parameter (3)
Review Databank Data
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Pure Component Parameter (3)
Review Databank Data
Description of each parameter
Including:Ideal gas heat of formation at 298.15 KIdeal gas Gibbs free energy of formation at
298.15 K
Heat of vaporization at TB
Normal boiling pointStandard liquid volume at 60F.
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Pure Component Parameter (4)
Temperature-Dependent Properties
CPIGDP-1 ideal gas heat capacity
CPSDIP-1 Solid heat capacity
DNLDIP-1 Liquid density
DHVLDP-1 Heat of vaporization
PLXANT-1 Extended Antoine Equation
MULDIP Liquid viscosity
KLDIP Liquid thermal conductivity
SIGDIP Liquid surface tension
UFGRP UNIFAC functional group
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Pure Component Parameter (5)(PLXANT-1 , Extended Antoine Equation)
?
Corresponding Model
Click ? and then click where you dont know
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Pure Component Parameter (5)(CPIGDP-1, Ideal Gas Heat Capacity Equation)
?
Corresponding Model
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Pure Component Parameter (5)
Retrieve Parameters Results
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Go to Tools
Select Retrieve Parameters Results
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Pure Component Parameter (5)
Read Parameters Results
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Binary Interaction Parameter (1)
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Binary Interaction Parameter (2)
Recall NRTL model
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Binary Interaction Parameter (3)
Click NRTL and then built-in binaryparameters appear automatically if available.
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Binary Interaction Parameter (4)
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Regression information
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Missing Parameters
Model parameters are not available in Aspen Plus
Databank, such as
Pure Component: heat capacity, vapor pressure of liquid
Binary interaction: binary parameters
The ways to access missing parameters:
Data Regression (if experiment data available)
Property Estimation (if no experiment data available)
Both methods can be carried out in Aspen Plus
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Property Estimation
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Data Regression
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Aspen Plus Training CourseData Regression by Aspen Plus
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Case 1: Water and n-Butanol
Temperature = 300 K
Xwater water BuOH0.005 2.436877 1.000005
0.015 2.42597 1.00005
0.025 2.415056 1.000142
0.975 1.008912 19.43257
0.985 1.003467 25.367570.995 1.000419 34.39399
Temperature = 320 K
Xwater water BuOH0.005 2.514448 1.000005
0.015 2.500619 1.000062
0.025 2.486835 1.000175
0.975 1.008536 18.506050
0.985 1.003315 23.8945100.995 1.000400 31.967500
Temperature = 340 K
Xwater water BuOH0.005 2.572070 1.000007
0.015 2.555775 1.000072
0.025 2.539572 1.000202
0.975 1.008185 17.566440
0.985 1.003174 22.450770
0.995 1.000382 29.667170
Temperature = 360 K
Xwater water BuOH0.005 2.612294 1.000008
0.015 2.593973 1.000080
0.025 2.575786 1.000224
0.975 1.007858 16.635210
0.985 1.003043 21.058600
0.995 1.000366 27.509640
Temperature = 380 K
Xwater water BuOH0.005 2.637471 1.000009
0.015 2.617535 1.000085
0.025 2.597765 1.000241
0.975 1.007552 15.726690
0.985 1.002921 19.730980
0.995 1.000350 25.500570
Temperature = 400 K
Xwater water BuOH0.005 2.649737 1.000010
0.015 2.628558 1.000092
0.025 2.607577 1.000256
0.975 1.007265 14.850190
0.985 1.002806 18.475030
0.995 1.000336 23.638950
Mole fraction and liquid activity with different temperature
Objective: Use NRTL model to fit the experimental data (activity data)
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Input components
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Thermodynamic Model NRTL
NRTL
Vapor EOS
Liquid gammaLiquid enthalpy
Liquid volume
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Data Regression
Select Data Regression
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Input Experimental Data
Select New Select MIXTURE
Specify ID
Temperature = 300 K
Xwater water BuOH0.005 2.436877 1.000005
0.015 2.42597 1.00005
0.025 2.415056 1.000142
0.975 1.008912 19.43257
0.985 1.003467 25.36757
0.995 1.000419 34.39399
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Input Experimental Data (contd)
2. Select components
3. Specify Temperature
1. Select data type
(GAMMA)
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Input Experimental Data (contd)
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Input Experimental Data (contd)
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Add New Object of Regression
Select New
Specify ID
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Select Data Sets to be Regressed
Select Data set for regression
Specify weighting for each data set
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Select Parameters to be Regressed
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NRTL/1
NRTL/2
NRTL/3
?
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Select Parameters to be Regressed
NRTL Model
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Select Parameters to be Regressed
Select Type (Binary Parameter)
aij & aji bij & bji cij eij & eji
Specify Name & Element
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Execute Regression
Click to run regression
Select regression to run and
their oder
Replace existing parameters
with regressed value(s) or not
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Check Simulation Status
Message Means
Results availableThe run has completed normally, and results are
present.
Results with warnings
Results for the run are present. Warning
messages were generated during the
calculations. View the Control Panel or History
for messages.
Results with errors
Results for the run are present. Error messages
were generated during the calculations. View the
Control Panel or History for messages.
Input Changed
Results for the run are present, but you have
changed the input since the results were
generated. The results may be inconsistent with
the current input.
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Regression Results
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Read Regressed Parameters
R-REGNRTL
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Case 2: Acetic Acid and WaterFrom DECHEMA
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(
MIXTURE)
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paperDECHEMA
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RegressFixRegress
Fix
Lower boundUpper bound
Initial value
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Maximum-likehood
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Control Panal
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AspenPlus
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binary
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TxyPxy
Go
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Data
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New plot
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Add to plot
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All in OneY
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Source of Phase Equilibrium Data
DECHEMA Chemistry Data Series (VLE, LLE, SLE,)http://www.dechema.de/en/CDS.html
Academic literatures (SCI, EI, Sci Finder)
Aspen Plus Data Bank (Experiment data is available
from Aspen Plus V7.3) Data Purchase on DETHERM Internet
http://i-systems.dechema.de/detherm/
In-house data
Google
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Aspen Plus - NIST ThermoData Engine
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DETHERM Internet
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http://i-systems.dechema.de/detherm/
How to Establish Physical
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How to Establish Physical
Properties- Review
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Aspen Plus Training CourseUser-defined Component& Property Estimation
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Missing Component
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Missing Component
in Aspen Databank
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Missing Component
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Missing Component
in Aspen Databank
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User Define Component
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fi
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User Define Component
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I M l Fil
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Input Mol File
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C l l B d
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Calculate Bonds
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I K P i
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Input Known Properties
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Evaluate using TDE
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g
(Thermo Data Engine )
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S l t P t M d l (UNIFAC)
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Select Property Model (UNIFAC)
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E ti t ll i i t
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Estimate all missing parameters
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Go
to Estima
tion input
Estimate all
missing
parameters
Mi i UNIFAC F ti G
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Missing UNIFAC Function Group
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S if F ti l G
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Specify Functional Group
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F ti l G f DCP
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Functional Group of DCP
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Group Number Number of occurrence
1105 113300 1
1605 1
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Input Functional Group
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Input Functional Group
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Add Second Component (Water)
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Add Second Component (Water)
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Select Property Model (NRTL)
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Select Property Model (NRTL)
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Change Run type to Property
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Estimation
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Estimated Parameters of Typical
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Antoine Equation
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Estimated Binary Parameters
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Estimated Binary Parameters
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Aspen Plus Training CourseProperties Analysis in Aspen Plus
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Overview of Property Analysis
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Overview of Property Analysis
Use this form To generate
PureTables and plots of pure component properties as a function of temperature
and pressure
Binary Txy, Pxy, or Gibbs energy of mixing curves for a binary system
Residue Residue curve maps
TernaryTernary maps showing phase envelope, tie lines, and azeotropes of ternary
systems
AzeotropeThis feature locates all the azeotropes that exist among a specified set of
components.
Ternary Maps
Ternary diagrams in Aspen Distillation Synthesis feature: Azeotropes,
Distillation boundary, Residue curves or distillation curves, Isovolatility curves,
Tie lines, Vapor curve, Boiling point
Generic
Tables and plots of properties of either multi-phase mixtures (for example,VLE, VLLE, LLE) resulting from flash calculations, or single-phase mixtures
without flash calculations. Properties analysis of multi-components (more
than three) is also included.128
Properties Analysis Pure Component
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Properties Analysis Pure Component
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Available Properties
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Available Properties
Property (thermodynamic) Property (transport)
Availability Free energy Thermal conductivity
Constant pressure
heat capacityEnthalpy Surface tension
Heat capacity ratio Fugacity coefficient Viscosity
Constant volume heat
capacity
Fugacity coefficient
pressure correction
Free energy departure Vapor pressure
Free energy departure
pressure correctionDensity
Enthalpy departure Entropy
Enthalpy departure
pressure correctionVolume
Enthalpy of
vaporizationSonic velocity
Entropy departure 130
Example1: CP (Heat Capacity)
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Example1: CP (Heat Capacity)
1. Select property (CP)
2. Select phase
3. Select component
4. Specify range of temperature
5. Specify pressure
6. Select property method
7. click Go to generate the results
Add N-butyl-acetate
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Example1: Calculation Results of CP
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Example1: Calculation Results of CP
Data results 132
Example2: Saturated Vapor Pressure
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Example2: Saturated Vapor Pressure
1. Select
property (PL)
2. Select phase
3. Select component
4. Specify range of
temperature
5. Specify pressure
6. Select property method
7. click Go to generate the results
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Example: Calculation Results of PL
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Example: Calculation Results of PL
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Properties Analysis of Mixtures
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Properties Analysis of MixturesUse this form To generate
Pure Tables and plots of pure component properties as a function of temperatureand pressure
Binary Txy, Pxy, or Gibbs energy of mixing curves for a binary system
Residue Residue curve maps
TernaryTernary maps showing phase envelope, tie lines, and azeotropes of ternary
systems
AzeotropeThis feature locates all the azeotropes that exist among a specified set ofcomponents.
Ternary Maps
Ternary diagrams in Aspen Distillation Synthesis feature: Azeotropes,
Distillation boundary, Residue curves or distillation curves, Isovolatility curves,
Tie lines, Vapor curve, Boiling point
Generic
Tables and plots of properties of either multi-phase mixtures (for example,
VLE, VLLE, LLE) resulting from flash calculations, or single-phase mixtureswithout flash calculations. Properties analysis of multi-components (more
than three) is also included.
Those will be introduced in the following course!!! 135
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Aspen Plus Training CourseSome Tips and Others
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Tips: Next
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Tips: Next
Invokes the Aspen Plus expert system. Guides you through the
steps required to complete your simulation.
Status message Meaning
Flowsheet Not
Complete
Flowsheet connectivity is incomplete. To find out why, click
the Next button in the toolbar.
Required Input Not
Complete
Input specifications for the run are incomplete. Click Next
on the toolbar to find out how to complete the input
specifications, and to go to sheets that are incomplete.
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Example: NEXT
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Example: NEXT
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Tips: Whats this
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Tips: What s this
?
Click ? and then click where you dont know
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Tips: Whats this
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Tips: What s this
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?
Tips: Window
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Tips: Window
If you are using You should
Workbook mode Click the Process Flowsheet tab
Flowsheet as Wallpaper Click the flowsheet in the background
Normal View Select the Process Flowsheet window141
Help Topics
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Unit Operation Model Reference Manual
Physical Property Methods and Models
Physical Property Data Reference Manual
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Calculation of Properties Using an Equation-of-State Property Method
File Formats in Aspen Plus
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File Formats in Aspen Plus
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File Type Extension Format DescriptionDocument *.apw Binary File containing simulation input and results and
intermediate convergence information
Backup *.bkp ASCII Archive file containing simulation input and
results
History *.his Text Detailed calculation history and diagnostic
messages
Problem
Description
*.appdf Binary File containing arrays and intermediate
convergence information used in the simulation
calculations
File Type Characteristics
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File Type Characteristics
Binary files Operating system and version specific
Not readable, not printable
ASCII files
Transferable between operating systems
Upwardly compatible Contain no control characters, readable
Not intended to be printed
Text files
Transferable between operating systems
Upwardly compatible
Readable can be edited