Introduction to Aspen Plus

Introduction to Aspen Plus
Speaker: Bor-Yih Yu(余柏毅) Date: 2016/09/05 PSE Laboratory Department of Chemical Engineering National Taiwan University (化工館RM307, )

Outline Part 1 : Introduction Part 2 : Startup
Part 3 : Properties analysis 3-1: Basic Property analysis 3-4: Validation of thermodynamic parameters Part 4 : Running Simulation in Aspen Plus (simple units: Mixer, Pump, valve, flash, heat exchanger )

Outline Part 5 : Running Simulation in Aspen Plus (Reactors)
5-1: Basic operation of Reactor System 5-2: Analysis of reacting system Part 6 : Running Simulation in Aspen Plus (separation) 6-1: Basic Operation of separation System 6-2: Design, spec, and vary in RADFRAC Part 7 : Running Simulation in Aspen Plus More Complex system with recycle

Part 1: Introduction

Ref: http://www.aspentech.com/products/aspen-plus.cfm
What is Aspen Plus Aspen Plus is a market-leading process modeling tool for conceptual design, optimization, and performance monitoring for the chemical, polymer, specialty chemical, metals and minerals, and coal power industries. Ref:

What Aspen Plus provides
Physical Property Models World’s 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 using Aspen Custom Modeler or programming languages (User-defined models) Ref: Aspen Plus® Product Brochure

More Detailed Properties analysis Process simulation
Properties of pure component and mixtures (Enthalpy, density, viscosity, heat capacity,…etc) Phase equilibrium (VLE, VLLE, azeotrope calculation…etc) Parameters estimation for properties models (UNIFAC method for binary parameters, Joback method for boiling points…etc) Data regression from experimental deta Process simulation pump, compressor, valve, tank, heat exchanger, CSTR, PFR, distillation column, extraction column, absorber, filter, crystallizer…etc

What course Aspen Plus can be employed for
MASS AND ENERGY BALANCES PHYSICAL CHEMISTRY CHEMICAL ENGINEERING THERMODYNAMICS CHEMICAL REACTION ENGINEERING UNIT OPERATIONS PROCESS DESIGN PROCESS CONTROL

Lesson Objectives Familiar with the interface of Aspen Plus
Learn how to use properties analysis Learn how to setup a basic process simulation

Part 2: Startup and Overview

Aspen Plus User Interface
Start with Aspen Plus Aspen Plus User Interface

Aspen Plus Startup

Properties Help

More Information Help for Commands for Controlling Simulations

Properties -- Setup

Properties -- Input components
Remark: If available, are

Properties -- Methods Process type(narrow the number of
methods available) Base method: IDEAL, NRTL, UNIQAC, UNIFAC…

Property Method Selection—General Rule
Example 1: water - benzene Example 2: benzene - toluene

Typical Activity Coefficient Models
Non-Randon-Two Liquid Model (NRTL) Uniquac Model Unifac Model

Typical Equation of States
Peng-Robinson (PR) EOS Redlich-Kwong (RK) EOS Haydon O’Conell (HOC) EOS

Thermodynamic Model – NRTL

NRTL – Binary Parameters
Click “NRTL” and then built-in binary parameters appear automatically if available.

Access Properties Models and Parameters
Review Databank Data

Review Databank Data …. Including:
Ideal gas heat of formation at K Ideal gas Gibbs free energy of formation at K Heat of vaporization at TB Normal boiling point Standard liquid volume at 60°F …. Parameter variable

Pure Component 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 UFGRP

Properties – Tools

Properties – Data Source

Properties – Run Mode

Properties – Analysis

Simulation Help Process Flowsheet Windows Data Browser
Model Palette (View│Model Palette)

Simulation -- Setup – Specification
Input mode

Basic Input---Summary
The minimum required inputs to run a simulation are: Properties Setup Components Methods Simulation Streams Blocks Property Analysis Process Simulation

Part 3: Property analysis 3-1: Basic Property analysis

Overview of Property Analysis
Use this form To generate Pure Tables 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 Ternary Ternary maps showing phase envelope, tie lines, and azeotropes of ternary systems Azeotrope This 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 ***When you start properties analysis, you MUST specify components , thermodynamic model and its corresponding parameters. (Refer to Part 2)

Find Components (1/5) Component ID : just for distinguishing in Aspen.
Type : Conventional, Solid….etc Component name : real component name Formula : real component formula

Find Components (2/5) TIP 1: For common components, you can enter directly the common name or molecular equation of the components in “component ID”. (like water, CO2, CO, Chlorine…etc)

Find Components (3/5) TIP 2: If you know the component name (like N-butanol, Ethanol….etc), you can enter it in “component name”.

Find Components (4/5) TIP 3: You can also enter the formula of the component. (Be aware of the isomers) You can also click “Find” to search for component of given CAS number, molecular weight without knowing its molecular formula, or if you don’t know the exactly component name

Find Components (5/5) You can enter the way of searching…

Methods (1/2) – Select Thermodynamic Model
Select NRTL

Methods (2/2) – Check Binary Parameter
Properties Methods Parameters NRTL-1 Click This, it will automatically change to blue if binary parameter exists.

Properties Analysis – Pure Component (1/5)

Available Properties (2/5)
Property (thermodynamic) Property (transport) Availability Free energy Thermal conductivity Constant pressure heat capacity Enthalpy 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 correction Density Enthalpy departure Entropy Enthalpy departure pressure correction Volume Enthalpy of vaporization Sonic velocity Entropy departure

Example1: CP (Heat Capacity) (3/5)
1. Select property (CP) 4. Specify range of temperature 2. Select phase 5. Specify pressure Add “N-butyl-acetate” 6. Select property method 3. Select component 7. click “Run Analysis” to generate the results

Example1: Calculation Results of CP (4/5)
Click This, able to change units and the ability to merge different plots Click This, able to change format of the plot, including font, axis range…etc.

Example1: Calculation Results of CP (5/5)
Data results

Properties Analysis – Binary Components (1/7)

Binary Component Properties Analysis (2/7)
Use this Analysis type To generate Txy Temperature-compositions diagram at constant pressure Pxy Pressure-compositions diagram at constant temperature Gibbs energy of mixing Gibbs energy of mixing diagram as a function of liquid compositions. The Aspen Physical Property System uses this diagram to determine whether the binary system will form two liquid phases at a given temperature and pressure.

Example: T-XY (3/7) 5. Select phase (VLE, VLLE) Select
analysis type (Txy) 2. Select two component 6. Specify pressure 3. Select compositions basis 7. Select property method 4. Specify composition range 8. click “Run Analysis” to generate the results

Example: calculation result of T-XY (4/7)

Example: calculation result of T-XY (5/7)
Data results

Example: Generate XY plot (6/7)
Click “Input”

Example: Generate XY plot (7/7)

Properties Analysis – Ternary (1/6) (add one new components)

Properties Analysis – Ternary (2/6) (Check NRTL binary parameter)
3 components -> 3 set of binary parameter (How about 4 components??)

Properties Analysis – Ternary (3/6) (Ternary Maps)

Properties Analysis – Ternary (4/6) (Ternary Maps)
Select three component 2. Select property method 5. Specify pressure 3. Select phase (VLE, LLE…) 4. Specify number of tie line 6. Specify temperature (if LLE is slected) 7. click “Run Analysis” to generate the results

Properties Analysis – Ternary (5/6) Calculation Result of Ternary Map (LLE)

Properties Analysis – Ternary (6/6)
Calculation Result of Ternary Map (LLE) Data results

Property Analysis – Conceptual Design
Use this form To generate Pure Tables 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 Ternary Ternary maps showing phase envelope, tie lines, and azeotropes of ternary systems Azeotrope This 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

Conceptual Design -- Azeotrope Analysis (1/3)

1. Select components (at least two) 2. Specify pressure 6. click “Report” to generate the results 3. Select property method 4. Select phase (VLE, LLE…) 5. Select report Unit

(Azeotrope Analysis Report)

Distillation Synthesis Ternary Maps (1/3)
Conceptual Design – Distillation Synthesis Ternary Maps (1/3)

Conceptual Design – Distillation Synthesis Ternary Maps (2/3) 3. Select property method 1. Select three components 4. Select phase (VLE, LLE) 5. Select report Unit 6. Click “Ternary Plot” to generate the results 2. Specify pressure 6. Specify temperature of LLE (If liquid-liquid envelope is selected)

Conceptual Design – Distillation Synthesis Ternary Maps (3/3) Change pressure or temperature Ternary Plot Toolbar: Add Tie line, Curve, Marker…

Part 3: Property analysis 3-2: Validation of thermodynamic parameters

Finding Experimental Data in Aspen Plus
Build in the components

Open the access to data bank.

Various kinds of data. (Choose VLE data here) Different set of VLE data (with different temperature or different pressure)

One of the data set. Save into Aspen Plus.

Save to Data

Comparing the VLE with Built-in Parameter
<Goal> Compare the experimental VLE data and the predicted VLE data by NRTL model.

Do not close this plot in the following steps.

2.Click “Single Y Axis”. (Combine the axis into one.) Right click, and choose “Y Axis Map”

The predicted VLE by NRTL is pretty good.

Part 4: Running simulation Simple Units (Mixer, Pump, valve, flash, heat exchanger)

Example 1: Calculate the mixing properties of two stream
2 3 4 Mole Flow kmol/hr WATER 10 ? BUOH 9 BUAC 6 Total Flow kmol/hr 15 Temperature C 50 80 Pressure bar Enthalpy kcal/mol Entropy cal/mol-K Density kg/cum

Simulation -- Setup – Specification
Select Steady-State Select Simulation

Reveal Model Library View→ Model Library or press F10

Adding a Mixer Click “one of icons”
and then click again on the flowsheet window Remark: The shape of the icons are meaningless

Adding Material Streams
Click “Materials” and then click again on the flowsheet window

Adding Material Streams (cont’d)
When clicking the mouse on the flowsheet window, arrows (blue and red) appear.

When moving the mouse on the arrows, some description appears. Red arrow(Left) Feed (Required; one ore more if mixing material streams) Red arrow(Right): Product (Required; if mixing material streams) Blue arrow: Water decant for Free water of dirty water.

After selecting “Material Streams”, click and pull a stream line. Repeat it three times to generate three stream lines.

Reconnecting Material Streams (Feed Stream)
Right click on the stream and select “Reconnect Destination”

Reconnecting Material Streams (Product Stream)
Right click on the stream and select “Reconnect Source”

Change Material Streams Names
Double click to rename the stream

Specifying Feed Condition
Right click on the stream and select “Input”

Specifying Feed Condition (cont’d)
1 2

Specifying Input of Mixer
Right click on the block and select “Input”

Specifying Input of Mixer (cont’d)
Specify Pressure and valid phase

Run Simulation Click ► to run the simulation Run
Start or continue calculations Step Step through the flowsheet one block at a time Stop Pause simulation calculations Reinitialize Purge simulation results Check “simulation status” “Required Input Complete” means the input is ready to run simualtion

Status of Simulation Results
Message Means Results Available The 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.

Stream Results Right click on the block and select “Stream Results”

Pull down the list and select “Full” to show more properties results.
Enthalpy and Entropy

Change Units of Calculation Results

Setup – Report Options

Stream Results with Format of Mole Fraction

Add Pump Block

Add A Material Stream

Connect Streams

Pump – Specification 1. Select “Pump” or “turbine”
2. Specify pump outlet specification (pressure, power) 3. Efficiencies (Default: 1)

Run Simulation Click “Next” to check if all required input is complete
Click “OK” to run the simulation

Block Results (Pump) Right click on the block and select “Results”

Streams Results

Calculation Results (Mass and Energy Balances)
1 2 3 4 Mole Flow kmol/hr WATER 10 BUOH 9 BUAC 6 Total Flow kmol/hr 15 25 Temperature C 50 80 71.22 72.33 Pressure bar Enthalpy kcal/mol -67.81 -94.34 -83.73 -83.67 Entropy cal/mol-K -37.53 -95.61 -95.45 Density kg/cum 969.50 783.85 824.28 823.01

Exercise 1 2 3 4 5 6 Mole Flow kmol/hr Water 10 ? Ethanol Methanol 15
? Ethanol Methanol 15 Total Flow kmol/hr Temperature C 50 70 40 Pressure bar Enthalpy kcal/mol Entropy cal/mol-K Density kmol/cum Please use Peng-Robinson EOS to solve this problem.

Example 2: Flash Separation
T=105 C P=1atm Saturated Feed P=1atm F=100 kmol/hr zwater=0.5 zHAc=0.5 What are flowrates and compositions of the two outlets?

Input Components

Thermodynamic Model: NRTL-HOC

Check Binary Parameters

Association parameters of HOC

Binary Parameters of NRTL

Binary Analysis

T-xy plot 5. Select phase (VLE, VLLE) 1. Select analysis type (Txy)
6. Specify pressure 2. Select two component 3. Select compositions basis 7. Select property method 4. Specify composition range 8. click “Run Analysis” to generate the results

Calculation Result of T-xy

Calculation Result of T-xy
Data results

Generate xy plot

Generate xy plot (cont’d)

Flash Separation T=105 C P=1atm Saturated Feed P=1atm F=100 kmol/hr
zwater=0.5 zHAc=0.5 What are flowrates and compositions of the two outlets?

Add Block: Flash2

Add Material Stream

Specify Feed Condition
Saturated Feed (Vapor fraction=0) P=1atm F=100 kmol/hr zwater=0.5 zHAc=0.5

Block Input: Flash2

Flash2: Specification T=105 C P=1atm

Required Input Complete
1.Click “Next” to check required input completeness 2.Click “OK” to run the simulation

Results Available

Stream Results

Stream Results (cont’d)
kmol/hr zwater=0.501 zHAc=0.409 T=105 C P=1atm Saturated Feed P=1atm F=100 kmol/hr zwater=0.5 zHAc=0.5 kmol/hr zwater=0.432 zHAc=0.568

Heat Exchange (Simple Heater)
Q: Calculate the enthalpy required to heat the mixture from 1 atm, 50 ⁰C to 5 atm 250 ⁰C using Peng-Rob model. Species Flow rate (Kmol/h) Methane 10 Ethane Propane 20 Using Thermodynamic model calculation that you learn… Heat capacity for each component. PR EOS calculation algorithm from textbook Departure function from ideal gas. Matlab program or Excel Calculation. ….

Using Aspen Plus… Build in the components

Select Peng-ROB model

Check the parameters

Add the unit, connecting the material streams…

Double click the material stream on the flow sheet… Entering the stream input page.

Double click the heater on the flow sheet… Entering the heater input page.

3. Run Input all the condition, including streams and blocks 2. “Input changed” or “required input completed”

Right click the “HEATER” And, choose “Stream Results…”

Right click the “HEATER”, Click “Result…”

The enthalpy required is then calculated.

Heat exchange (HeatX) 熱物流冷卻水熱流出口氣相分率為 0 （飽和液相）
入口温度：200℃、入口壓力：0.4 MPa 流量：10000kg/hr 组成：苯 50%，苯乙烯 20%，水 10% 冷卻水入口温度：20℃、入口压力：1.0 MPa 流量：60000 kg/hr。熱流出口氣相分率為 0 （飽和液相）

Components – Specification

Add Block: HeatX

Feeds Conditions CLD-IN

Feeds Conditions HOT-IN

Block Input

Check result

Part 5-1: Basic operation of Reactor System Reactor Systems (RGIBBS, RSTOIC,RCSTR,RPLUG)

Equilibrium Reactor: RGIBBS
RGIBBS unit predicts the product by minimizing GIBBS energy in the system It is very Useful When…: Reaction Kinetics are unknown. There are lots of products

Fresh Feed Flow rate 1000 (kmol/h) CO 0.2368 H2 0.7172 H2O 0.0001 CH4 0.0098 CO2 0.0361 Reactions: T=300 k P=470 psia

Inside the Block:

Check result

Kinetics Reactors: RPLUG
Reaction :Exothermic & reversible Rate [=] Kmol/Kgcat/s Activation Energy [=] KJ/Kmol

Reaction :Exothermic & reversible Fresh Feed Flow rate 200 (mol/h) CO 0.030 H2 0.430 H2O 0.392 CO2 0.148 Catalyst Loading = Kg Bed Voidage = Feed Temperature = 583K Feed Pressure = 1 bar Reactor Length = 10 m Reactor Diameter = 5m

Feed Stream:

Reaction Setting:

RPLUG Setting:

Check result

Kinetics Reactors: RCSTR
Reaction :Exothermic & Irreversible Aniline + Hydrogen  Cyclohexylamine (CHA) C6H7N + 3H2  C6H13N

Vertical cylindrical vessel
Reactor Conditions Reactor : Pressure 595 psi Reactor condition Temperature 250 F Volume 1200 ft3 Reactor type Vertical cylindrical vessel Reactor liquid level 80%

Reaction Kinetics Reaction rate : Where VR: reactor volume
CA: concentration of Aniline CH: concentration of Hydrogen Reaction kinetics : Where T : temperature (R) E = (cal/mol) E : activity energy

Reaction Kinetics Input

Reactor Conditions Input

Feeds Conditions Two fresh feed stream : Aniline feed Hydrogen feed
mole rate temperature 100 F 100 F pressure 650 psia 650 psia

Feeds Conditions

Check result (1) Compare the conversion between RSTOIC and RCSTR.
(2) Compare the net duty inside the RSTOIC and RCSTR Question:

Part 6: Running Simulation 6-1: Basic Operation of separation System Separation of Benzene/Toluene Mixture (DSTWU, RADFRAC)

System Containing Benzene/Toluene
Example : A mixture of benzene and toluene containing 40 mol% benzene is to be separated to dive a product containing 90 mol% benzene at the top, and no more than 10% benzene in bottom product. The feed enters the column as saturated liquid, and the vapor leaving the column which is condensed but not cooled, provide reflux and product. It is proposed to operate the unit with a reflux ratio of 3 kmol/kmol product. Please find: (1) The number of theoretical plates. (2) The position of the entry. (Problem is taken from Coulson & Richardson’s Chemical Engineering, vol 2, Ex 11.7, p.564)

1. By what you learned in Material balance and unit operation
From Overall Material Balance: 100 = D+B From Benzene Balance: 100*0.4 = 0.9 * D+ 0.1* B Thus, D=37.5 and B=62.5. 37.5 62.5

1. By what you learned in Material balance and unit operation
From thermodynamic phase equilibrium, and the calculation of operating line: We can get the number of theoretical plate to be 7.

2. By the shortcut method in Aspen Plus (DISTWU) (Add components)
Built in the components

2. By the shortcut method in Aspen Plus (DISTWU) (Select property method)
Select NRTL

2. By the shortcut method in Aspen Plus (DISTWU) (Select property method)
Check the binary parameters

2. By the shortcut method in Aspen Plus (DSTWU)
Add the unit “DSTWU” The red arrows are the required material stream!

Connect the required material stream

“Feed1” Stream specification

2. By the shortcut method in Aspen Plus (Column Specification)
From the problem Assume no pressure drop Inside the column

Light Key recovery = (mol of light component in distillate) / (mol of light component in feed) = (37.5*0.9)/(100*0.4) =

Heavy Key recovery = (mol of heavy component in distillate) / (mol of heavy component in feed) = (37.5*0.1)/(100*0.6) =

Get results by varying the number of stages. (Initial Guess)

RUN THE SIMULATION

2. By the shortcut method in Aspen Plus (Stream Results)
Right click on the unit, and select “Stream Results”

2. By the shortcut method in Aspen Plus (Stream Results)
Required product quality

2. By the shortcut method in Aspen Plus (RR vs number of stage)
For RR=3, at least 7 theoretical stages are required.

3. More rigorous method in Aspen Plus (RADFRAC)
Add the unit “RADFRAC” The red arrows are the required material stream!

3. More rigorous method in Aspen Plus (RADFRAC)
Connect the required material stream

3. More rigorous method in Aspen Plus (RADFRAC) (Feed Specification)
Same as Case 2

3. More rigorous method in Aspen Plus (RADFRAC) (Column Specification)
Double left click on the unit….

7 stages from previous calculation. RR=3 from the problem, distillate rate = 37.5 (kmol/h) from previous calculation

Specify the feed stage

Specify the pressure at the top of column

3. More rigorous method in Aspen Plus (RADFRAC) (Calculation of tray size—Tray Sizing)

3. More rigorous method in Aspen Plus (RADFRAC) (Calculation of tray size—Tray Sizing)
*Calculation from 2th tray from the top to 2th tray from the bottom. (WHY??) *Select a tray type.

3. More rigorous method in Aspen Plus (RADFRAC) (Pressure drop calculation– Tray Rating)

*Calculation from 2th tray from the top to 2th tray from the bottom. (WHY??) *Initial guess of the tray size

3. More rigorous method in Aspen Plus (RADFRAC) (Stream Results)
Click right button on the unit, and select “Stream Results”

Different from the shorcut method. (WHY??)

Part 6: Running Simulation 6-2: Design, spec, and vary in RADFRAC Separation of Benzene/Toluene Mixture

3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)

What do we want?? --- 90% Benzene at top. Select “Mole Purity”…

What do we want?? --- 90% Benzene at top. Select “Mole Purity”… And the target is 0.9.

Select “Benzene”

Select the distillate stream

Add a Vary (1 Design Spec Vary)

Varying Reflux ratio to reach the design target.

Specify the varying range. (Should contain the initial value)

2nd Design Spec

What do we want?? --- 10% Benzene at bot. Select “Mole Purity”…

What do we want?? --- 10% Benzene at bot. Select “Mole Purity”… And the target is 0.1.

Select the Benzene

Select the bottom stream

Varying distillate rate to reach the design target. Specify the varying range. (Should contain the initial value)

RUN THE SIMULATION, and click right button on the unit, select “Stream results”

The required product quality

3. More rigorous method in Aspen Plus (RADFRAC) (Column Results--top)
Calculated Reflux Ratio = 5.98 (from problem: 3)

3. More rigorous method in Aspen Plus (RADFRAC) (Column Results--bottom)
The required heat duty for separation is (KW)

3. More rigorous method in Aspen Plus (RADFRAC) (Profile Inside the Column)
T : Temperature P : Pressure F : Liquid and vapor flow rate. Q: Heat Duty

3. More rigorous method in Aspen Plus (RADFRAC) (Profile Inside the Column)
You can select the vapor or liquid composition profile. (also in mole or mass basis)

3. More rigorous method in Aspen Plus (RADFRAC) (Plotting Temp
3. More rigorous method in Aspen Plus (RADFRAC) (Plotting Temp. Profile)

Exercise Example: Typically, 90 mol% product purity is not enough for a product to sale. In the same problem, assume the number of stages increase to 10. Try the following exercises: (1) Is it possible to separate the feed to 95 mol% of benzene in the distillate, and less than 5% of benzene in the bottom product? If yes, what is the RR and Qreb? (2) As in (1), is it possible to separate the feed to 99 mol% of benzene in the distillate, and less than 1% of benzene in the bottom product? If yes, what is the RR and Qreb? (3) As in (2), if no, how many number of stages is required to reach this target? (Hint: Use design, spec, and vary to do this problem)

Part 6: Running Simulation 6-3: Design and analysis of a Water/HAC system Flowsheet Construction Design, Spec, Vary

Distillation Separation: Water-HAC System
There are two degrees of freedom to manipulate distillate composition and bottoms composition to manipulate the distillate and bottoms compositions. If the feed condition and the number of stages are given, how much of RR and QR are required to achieve the specification. RR ? QR ?

Flowsheet/Connect Material Stream

Saturated Feed (Vapor fraction=0) P=1.2atm F=100 kmol/hr zwater=0.5 zHAc=0.5

Block Input: Radfrac

Radfrac: Configuration

Radfrac: Streams (Feed Location)

Radfrac: Column Pressure

Run Simulation Click ► to run simulation

Check Convergence Status

Stream Results

Stream Results D B

Change Reflux Ratio Click ► to run simulation
Increase RR from 2 to 2.5

Again… You can iterate RR until the specification is achieved.

Using Design/Spec Function
Aspen Plus provides a convenient function (Design Specs/Vary) which can iterate operating variables to meet the specification.

Add New Design Specs

Design Specs: Specification
Input current mole purity first

Design Specs: Components

Design Specs: Feed/Product Streams

Add New Very

Vary: Specifications Specify the range of the adjusted variable
Not all variables cane be selected. In this case, only reflux ratio and reboiler duty can be used.

Selection of Adjusted Variables
The options of adjusted variables must correspond to the operating specification.

Change Target of Mole Purity
Click ► to run simulation Increase Target from to 0.99

Column Performance Summary

Summary of Condenser Include condenser duty, distillate rate, reflux rate, reflux ratio

Summary of Reboiler Include reboiler duty, bottoms rate, boilup rate, boilup ratio

Column Profile: TPFQ

Column Profile: Vapor Composition

Column Profile: Liquid Composition

Plot Composition Profile

Temperature Profiles

Plot Composition Profile

Composition Profiles

Part 7 : Running Simulation 7-1: More Complex system with recycle System with IPA/Water/DMSO

Rename components ID Isopropyl Alcohol Water Dimethyl Sulfoxide

NRTL – Binary Parameters
Click “NRTL” and then built-in binary parameters appear automatically if available.

NRTL – Binary Parameters-USER
Comp,i IPA H2O Comp,j DMSO aij aji 1.7524 bij 185.4 bji 777.3 cij 0.50 0.3 0.30

Ternary Maps

Ternary Maps 1. Select three components 3. Select property method
2. Specify pressure 4. Select phase (VLE, LLE) 5. Select report unit 6. Click Ternary Plot to generate the results

Ternary Maps Change pressure Ternary Plot Toolbar:
Add Tie line, Curve, Marker…

Extractive Distillation

Setup – Specification Input mode

Add Block: RADFRAC

Add Block: MIXERS

Add Material Stream

Rename stream Doulbe click to rename streams or blocks.

(Saturated Liquid Feed) Temperature= 25°C P = 3 atm F = 100 kmol/hr z IPA =0.5 z WATER =0.5

EF P = 2 atm T = oC F = 100 kmol/hr z DMSO =1

MAKEUP P = 3 atm T = 25 oC F = 0 kmol/hr z DMSO =1

Block Input

Check result

Check streams result

Design Specs/Vary

Add New VAry

Very: Specifications

Design Specs/Vary

Add New VAry

VAry: Specifications

Check streams result D1 D2

Recycle stream

Check streams result

Summary of Reboiler B1 B2 Include reboiler duty, bottoms rate, boilup rate, boilup ratio

Tray Sizing

Tray Sizing Click ► to run simulation

Tray Sizing

Tray Rating

Update Pressure Drop of Stages
Click ► to run simulation

Check Pressure Drop result

Thanks for your attention!
PSE Laboratory Department of Chemical Engineering National Taiwan University (化工館 RM307) Edited by: 程建凱/吳義章/余柏毅/陳怡均

Introduction to Aspen Plus

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