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Introduction to Aspen Plus

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Presentation on theme: "Introduction to Aspen Plus"— Presentation transcript:

1 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, )

2 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 )

3 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

4 Introduction to Aspen Plus
Part 1: Introduction

5 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:

6 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

7 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

8 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 

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

10 Introduction to Aspen Plus
Part 2: Startup and Overview

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

12 Aspen Plus Startup

13 Properties Help

14 More Information Help for Commands for Controlling Simulations

15 Properties -- Setup

16 Properties -- Input components
Remark: If available, are

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

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

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

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

21 Thermodynamic Model – NRTL

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

23 Access Properties Models and Parameters
Review Databank Data

24 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

25 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

26 Properties – Tools

27 Properties – Data Source

28 Properties – Run Mode

29 Properties – Analysis

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

31 Simulation -- Setup – Specification
Input mode

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

33 Introduction to Aspen Plus
Part 3: Property analysis 3-1: Basic Property analysis

34 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)

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

36 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)

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

38 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

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

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

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

42 Properties Analysis – Pure Component (1/5)

43 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

44 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

45 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.

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

47 Properties Analysis – Binary Components (1/7)

48 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.

49 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

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

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

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

53 Example: Generate XY plot (7/7)

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

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

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

57 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

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

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

60 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

61 Conceptual Design -- Azeotrope Analysis (1/3)

62 Conceptual Design -- Azeotrope Analysis (2/3)
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

63 Conceptual Design -- Azeotrope Analysis (3/3)
(Azeotrope Analysis Report)

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

65 Distillation Synthesis Ternary Maps (2/3)
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)

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

67 Introduction to Aspen Plus
Part 3: Property analysis 3-2: Validation of thermodynamic parameters

68 Finding Experimental Data in Aspen Plus
Build in the components

69 Finding Experimental Data in Aspen Plus
Open the access to data bank.

70 Finding Experimental Data in Aspen Plus

71 Finding Experimental Data in Aspen Plus
Various kinds of data. (Choose VLE data here) Different set of VLE data (with different temperature or different pressure)

72 Finding Experimental Data in Aspen Plus
One of the data set. Save into Aspen Plus.

73 Save to Data

74 Save to Data

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

76 Comparing the VLE with Built-in Parameter
Do not close this plot in the following steps.

77 Comparing the VLE with Built-in Parameter

78 Comparing the VLE with Built-in Parameter

79 Comparing the VLE with Built-in Parameter

80 Comparing the VLE with Built-in Parameter

81 Comparing the VLE with Built-in Parameter

82 Comparing the VLE with Built-in Parameter
2.Click “Single Y Axis”. (Combine the axis into one.) Right click, and choose “Y Axis Map”

83 Comparing the VLE with Built-in Parameter
The predicted VLE by NRTL is pretty good.

84 Introduction to Aspen Plus
Part 4: Running simulation Simple Units (Mixer, Pump, valve, flash, heat exchanger)

85 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

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

87 Reveal Model Library View→ Model Library or press F10

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

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

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

91 Adding Material Streams (cont’d)
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.

92 Adding Material Streams (cont’d)
After selecting “Material Streams”, click and pull a stream line. Repeat it three times to generate three stream lines.

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

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

95 Change Material Streams Names
Double click to rename the stream

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

97 Specifying Feed Condition (cont’d)
1 2

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

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

100 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

101 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.

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

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

104 Change Units of Calculation Results

105 Setup – Report Options

106 Stream Results with Format of Mole Fraction

107 Add Pump Block

108 Add A Material Stream

109 Connect Streams

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

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

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

113

114 Streams Results

115 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

116 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.

117 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?

118 Input Components

119 Thermodynamic Model: NRTL-HOC

120 Check Binary Parameters

121 Association parameters of HOC

122 Binary Parameters of NRTL

123 Binary Analysis

124 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

125 Calculation Result of T-xy

126 Calculation Result of T-xy
Data results

127 Generate xy plot

128 Generate xy plot (cont’d)

129 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?

130 Add Block: Flash2

131 Add Material Stream

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

133 Block Input: Flash2

134 Flash2: Specification T=105 C P=1atm

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

136 Results Available

137 Stream Results

138 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

139 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. ….

140 Heat Exchange (Simple Heater)
Using Aspen Plus… Build in the components

141 Heat Exchange (Simple Heater)
Select Peng-ROB model

142 Heat Exchange (Simple Heater)
Check the parameters

143 Heat Exchange (Simple Heater)
Add the unit, connecting the material streams…

144 Heat Exchange (Simple Heater)
Double click the material stream on the flow sheet… Entering the stream input page.

145 Heat Exchange (Simple Heater)
Double click the heater on the flow sheet… Entering the heater input page.

146 Heat Exchange (Simple Heater)
3. Run Input all the condition, including streams and blocks 2. “Input changed” or “required input completed”

147 Heat Exchange (Simple Heater)

148 Heat Exchange (Simple Heater)
Right click the “HEATER” And, choose “Stream Results…”

149 Heat Exchange (Simple Heater)
Right click the “HEATER”, Click “Result…”

150 Heat Exchange (Simple Heater)
The enthalpy required is then calculated.

151 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)

152 Components – Specification

153 Thermodynamic Model – NRTL

154 Thermodynamic Model – NRTL

155 Add Block: HeatX

156 Feeds Conditions CLD-IN

157 Feeds Conditions HOT-IN

158 Block Input

159 Check result

160 Check result

161 Introduction to Aspen Plus
Part 5-1: Basic operation of Reactor System Reactor Systems (RGIBBS, RSTOIC,RCSTR,RPLUG)

162 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

163 Equilibrium Reactor: RGIBBS
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

164 Equilibrium Reactor: RGIBBS

165 Equilibrium Reactor: RGIBBS
Inside the Block:

166 Check result

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

168 Kinetics Reactors: RPLUG
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

169 Kinetics Reactors: RPLUG
Feed Stream:

170 Kinetics Reactors: RPLUG
Reaction Setting:

171 Kinetics Reactors: RPLUG
Reaction Setting:

172 Kinetics Reactors: RPLUG
Reaction Setting:

173 Kinetics Reactors: RPLUG
RPLUG Setting:

174 Check result

175 Check result

176 Check result

177 Check result

178 Check result

179 Check result

180 Check result

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

182 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%

183 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

184 Reaction Kinetics Input

185 Reaction Kinetics Input

186 Reaction Kinetics Input

187 Reactor Conditions Input

188 Reactor Conditions Input

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

190 Feeds Conditions

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

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

193 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)

194 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

195 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.

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

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

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

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

200 2. By the shortcut method in Aspen Plus (DSTWU)
Connect the required material stream

201 2. By the shortcut method in Aspen Plus (DSTWU)
“Feed1” Stream specification

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

203 2. By the shortcut method in Aspen Plus (Column Specification)
Light Key recovery = (mol of light component in distillate) / (mol of light component in feed) = (37.5*0.9)/(100*0.4) =

204 2. By the shortcut method in Aspen Plus (Column Specification)
Heavy Key recovery = (mol of heavy component in distillate) / (mol of heavy component in feed) = (37.5*0.1)/(100*0.6) =

205 2. By the shortcut method in Aspen Plus (Column Specification)
Get results by varying the number of stages. (Initial Guess)

206 2. By the shortcut method in Aspen Plus (DSTWU)
RUN THE SIMULATION

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

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

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

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

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

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

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

214 3. More rigorous method in Aspen Plus (RADFRAC) (Column Specification)
7 stages from previous calculation. RR=3 from the problem, distillate rate = 37.5 (kmol/h) from previous calculation

215 3. More rigorous method in Aspen Plus (RADFRAC) (Column Specification)
Specify the feed stage

216 3. More rigorous method in Aspen Plus (RADFRAC) (Column Specification)
Specify the pressure at the top of column

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

218 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.

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

220 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

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

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

223 3. More rigorous method in Aspen Plus (RADFRAC) (Stream Results)
Different from the shorcut method. (WHY??)

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

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

226 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
What do we want?? --- 90% Benzene at top. Select “Mole Purity”…

227 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
What do we want?? --- 90% Benzene at top. Select “Mole Purity”… And the target is 0.9.

228 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
Select “Benzene”

229 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
Select the distillate stream

230 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
Add a Vary (1 Design Spec Vary)

231 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
Varying Reflux ratio to reach the design target.

232 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
Specify the varying range. (Should contain the initial value)

233 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
2nd Design Spec

234 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
What do we want?? --- 10% Benzene at bot. Select “Mole Purity”…

235 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
What do we want?? --- 10% Benzene at bot. Select “Mole Purity”… And the target is 0.1.

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

237 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
Select the bottom stream

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

239 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
Varying distillate rate to reach the design target. Specify the varying range. (Should contain the initial value)

240 3. More rigorous method in Aspen Plus (RADFRAC) (Design , Spec and Vary)
RUN THE SIMULATION, and click right button on the unit, select “Stream results”

241 3. More rigorous method in Aspen Plus (RADFRAC) (Stream Results)
The required product quality

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

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

244 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

245 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)

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

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

248 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)

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

250 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 ?

251 Flowsheet/Connect Material Stream

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

253 Block Input: Radfrac

254 Radfrac: Configuration

255 Radfrac: Streams (Feed Location)

256 Radfrac: Column Pressure

257 Run Simulation Click ► to run simulation

258 Check Convergence Status

259 Stream Results

260 Stream Results D B

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

262 D B

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

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

265 Add New Design Specs

266 Design Specs: Specification
Input current mole purity first

267 Design Specs: Components

268 Design Specs: Feed/Product Streams

269 Add New Very

270 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.

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

272 Run Simulation Click ► to run simulation

273 Check Convergence Status

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

275 D B

276 Column Performance Summary

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

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

279 Column Profile: TPFQ

280 Column Profile: Vapor Composition

281 Column Profile: Liquid Composition

282 Plot Composition Profile

283 Temperature Profiles

284 Plot Composition Profile

285 Composition Profiles

286 Introduction to Aspen Plus
Part 7 : Running Simulation 7-1: More Complex system with recycle System with IPA/Water/DMSO

287 Rename components ID Isopropyl Alcohol Water Dimethyl Sulfoxide

288 Thermodynamic Model – NRTL

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

290 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

291 Ternary Maps

292 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

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

294 Extractive Distillation

295 Setup – Specification Input mode

296 Add Block: RADFRAC

297 Add Block: MIXERS

298 Add Material Stream

299 Add Material Stream

300 Rename stream Doulbe click to rename streams or blocks.

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

302 Specify Feed Condition
EF P = 2 atm T = oC F = 100 kmol/hr z DMSO =1

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

304 Block Input

305 Block Input

306 Block Input

307 Run Simulation Click ► to run simulation

308 Check Convergence Status
Check result

309 Check streams result

310 Design Specs/Vary

311 Add New Design Specs

312 Design Specs: Specification

313 Design Specs: Components

314 Design Specs: Feed/Product Streams

315 Add New VAry

316 Very: Specifications

317 Run Simulation Click ► to run simulation

318 Check Convergence Status

319 Design Specs/Vary

320 Add New Design Specs

321 Design Specs: Specification

322 Design Specs: Components

323 Design Specs: Feed/Product Streams

324 Add New VAry

325 VAry: Specifications

326 Run Simulation Click ► to run simulation

327 Check Convergence Status

328 Check streams result D1 D2

329 Recycle stream

330 Recycle stream

331 Recycle stream

332 tear

333 Check streams result

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

335 Tray Sizing

336 Tray Sizing Click ► to run simulation

337 Tray Sizing

338 Tray Rating

339 Tray Rating

340 Update Pressure Drop of Stages
Click ► to run simulation

341 Check Pressure Drop result

342 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


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