Aspen Plus Training Course

7/21/2019 Aspen Plus Training Course

1/146

Aspen Plus Training Course- Day 1General Introduction & Property Model Establishment

Lecturer: JK Cheng ()


2/146

Synthesis versus Analysis (Need Simulation!)

We need Process model to help on both cases.

Be careful when using process model.

Why Process Simulation?

2

Improvement

Debottleneck

Retrofit

Optimization.

Process Model

FundamentalTheory

& Assumption

EngineersInsight &

Experience


3/146

Hierarchy of Process Simulation

3

Plant-wide

Process

Unit Operation Model

Kinetic Model (optional)Physical Property Model


4/146

Why Important

for Physical Property?

4

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)


5/146

aspenONE Engineering Suit

5


6/146

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


7/146

Agenda

Startup in Aspen Plus (Basic Input)

Property Model Building-up

Chemical Component Input

Thermodynamic Model Selection Model Parameter Input

Basic Property Calculation

7


8/146

Introduction to Aspen Plus

Startup in Aspen Plus

8


9/146

Start with Aspen Plus

Aspen Plus User Interface

9


10/146

Aspen Plus Startup

10


11/146

Interface of Aspen Plus

Process Flowsheet Windows

Model Library (View| Model Library )

Stream

Status message11


12/146

More Information

Help for Commands for Controlling Simulations 12


13/146

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

13


14/146

Status Indicators

14


15/146

Basic Input

The minimum required inputs to run a simulation

are:

Setup

Components

Properties

Streams

Blocks

Property Analysis

15

Process Simulation


16/146

Setup Specification

Run Type

Input mode

16


17/146

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

17


18/146

Components Specification

Input components

with Component name or Formula

18


19/146

Input components

Remark: If available, are

19


20/146

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

20


21/146

Find Components

Click Find

21


22/146

Find Components (contd)

Input Component name or Formula or CAS number

22


23/146

Aspen Plus Training Course

Physical Model Estabilishment

23


24/146

How to Establish Physical

Properties

24


25/146

Property Method

25


26/146

Definition of Terms

26


27/146

Physical Property Models

27


28/146

Ideal Vs. Non-ideal Behavior

28


29/146

Phase Equilibrium Criteria

29


30/146

Equation of State Model

vs Activity Coefficient Model

30


31/146

Peng-Robinson EOS:

fugacity Calculation

31

The parameters should be expressible in

terms of the critical properties (Pc adTc) and the acentric factor.()


32/146

Activity Coefficient Model:

Wilson Model

32


33/146

Activity Coefficient Model:

Non-Random Two-Liquid (NTRL)

33


34/146

How to Select Property Model

34


35/146

35Reference: http://www.et.byu.edu/groups/uolab/files/aspentech/


36/146

Model for Common Solutions

36

/

: PR , SRK

(): BKI0

(50 atm) :

Chao-SeaderGrayson-Streed ()

{}:Wi l son

NRTL UNIQUAC

{}: UNIFAC

/

/ /

(C02, N2, H2) Henry's constant


37/146

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.

37


38/146

Choice Thermodynamic Models

Used in the Process

38


39/146

Properties Setting in Aspen Plus

Process type(narrow the number of

methods available)

Base method: IDEAL, NRTL, UNIQAC, UNIFAC

39

Select Properties


40/146

Property Method Selection Assistant

Interactive help in choosing a property method

40


41/146

Specify Component type

Chemical Systems

Is the system at high pressure?

(NO)

Two liquid phases

Assistant Wizard

41


42/146

Thermodynamic Model NRTL

NRTL

Vapor EOS

Liquid gamma

Liquid enthalpy

Liquid volume

42


43/146

Modify Property Model

43

Check Modify Property Model

Specify New Method Name


44/146


Properties

44


45/146

Pure Component Parameter (1)

45

Typical Antoine Equation


46/146

Pure Component Parameter(2)

46


47/146


Review Databank Data

47


48/146


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.

48


49/146


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

49


50/146

Pure Component Parameter (5)(PLXANT-1 , Extended Antoine Equation)

?

Corresponding Model

Click ? and then click where you dont know

50


51/146

Pure Component Parameter (5)(CPIGDP-1, Ideal Gas Heat Capacity Equation)

?

Corresponding Model

51


52/146


Retrieve Parameters Results

52

Go to Tools

Select Retrieve Parameters Results


53/146


Read Parameters Results

53


54/146

Binary Interaction Parameter (1)

54


55/146


Recall NRTL model

55


56/146


Click NRTL and then built-in binaryparameters appear automatically if available.

56


57/146


57

Regression information


58/146

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

58


59/146

Property Estimation

59


60/146

Data Regression

60


61/146

Aspen Plus Training CourseData Regression by Aspen Plus

61


62/146

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


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


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


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


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


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)


63/146

Input components

63


64/146

Thermodynamic Model NRTL

NRTL

Vapor EOS

Liquid gammaLiquid enthalpy

Liquid volume

64


65/146

Data Regression

Select Data Regression


66/146

Input Experimental Data

Select New Select MIXTURE

Specify ID

Temperature = 300 K


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


67/146

Input Experimental Data (contd)

2. Select components

3. Specify Temperature

1. Select data type

(GAMMA)


68/146



69/146



70/146

Add New Object of Regression

Select New

Specify ID


71/146

Select Data Sets to be Regressed

Select Data set for regression

Specify weighting for each data set


72/146

Select Parameters to be Regressed

72

NRTL/1

NRTL/2

NRTL/3

?


73/146


NRTL Model


74/146


Select Type (Binary Parameter)

aij & aji bij & bji cij eij & eji

Specify Name & Element


75/146

Execute Regression

Click to run regression

Select regression to run and

their oder

Replace existing parameters

with regressed value(s) or not


76/146

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.


77/146

Regression Results


78/146

Read Regressed Parameters

R-REGNRTL


79/146

Case 2: Acetic Acid and WaterFrom DECHEMA


80/146

(

MIXTURE)


81/146


82/146

paperDECHEMA


83/146


84/146


85/146


86/146

RegressFixRegress

Fix

Lower boundUpper bound

Initial value


87/146

Maximum-likehood


88/146

Control Panal


89/146


90/146

AspenPlus


91/146


92/146

binary


93/146

TxyPxy

Go


94/146

Data


95/146

New plot


96/146


97/146


98/146

Add to plot


99/146


100/146

All in OneY


101/146


102/146

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

102


103/146

Aspen Plus - NIST ThermoData Engine

103


104/146

DETHERM Internet

104

http://i-systems.dechema.de/detherm/



105/146


Properties- Review

105


106/146

Aspen Plus Training CourseUser-defined Component& Property Estimation

106

Missing Component


107/146

Missing Component

in Aspen Databank

107

Missing Component


108/146

Missing Component

in Aspen Databank

108

f


109/146

User Define Component

109

fi


110/146

User Define Component

110

I M l Fil


111/146

Input Mol File

111

C l l B d


112/146

Calculate Bonds

112

I K P i


113/146

Input Known Properties

113

Evaluate using TDE


114/146

g

(Thermo Data Engine )

114

S l t P t M d l (UNIFAC)


115/146

Select Property Model (UNIFAC)

115

E ti t ll i i t


116/146

Estimate all missing parameters

116

Go

to Estima

tion input

Estimate all

missing

parameters

Mi i UNIFAC F ti G


117/146

Missing UNIFAC Function Group

117

S if F ti l G


118/146

Specify Functional Group

118

F ti l G f DCP


119/146

Functional Group of DCP

119

Group Number Number of occurrence

1105 113300 1

1605 1


120/146

120

Input Functional Group


121/146

Input Functional Group

121

Add Second Component (Water)


122/146

Add Second Component (Water)

122

Select Property Model (NRTL)


123/146

Select Property Model (NRTL)

123

Change Run type to Property


124/146

Estimation

124

Estimated Parameters of Typical


125/146

Antoine Equation

125

Estimated Binary Parameters


126/146

Estimated Binary Parameters

126


127/146

Aspen Plus Training CourseProperties Analysis in Aspen Plus

127

Overview of Property Analysis


128/146

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


129/146

Properties Analysis Pure Component

129

Available Properties


130/146

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)


131/146

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

131

Example1: Calculation Results of CP


132/146

Example1: Calculation Results of CP

Data results 132

Example2: Saturated Vapor Pressure


133/146

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

133

Example: Calculation Results of PL


134/146

Example: Calculation Results of PL

134

Properties Analysis of Mixtures


135/146

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


136/146

Aspen Plus Training CourseSome Tips and Others

136

Tips: Next


137/146

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.

137

Example: NEXT


138/146

Example: NEXT

138

Tips: Whats this


139/146

Tips: What s this

?

Click ? and then click where you dont know

139

Tips: Whats this


140/146

Tips: What s this

140

?

Tips: Window


141/146

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


142/146

Help Topics

142

Go to Help

Select Help Topics

Help Topics


143/146

Help Topics

143

Unit Operation Model Reference Manual

Physical Property Methods and Models

Physical Property Data Reference Manual

Help Topics


144/146

Help Topics

144

Calculation of Properties Using an Equation-of-State Property Method

File Formats in Aspen Plus


145/146

File Formats in Aspen Plus

145

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


146/146

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

Documents

Aspen Plus Training Course