Chemical Process Design and Simulation E-Book

Juma Haydary

• Herausgeber: John Wiley & Sons
• Kategorie: Fachliteratur
• Sprache: Englisch

Seitenzahl: 697

Veröffentlichungsjahr: 2019

Beschreibung

A comprehensive and example oriented text for the study of chemical process design and simulation Chemical Process Design and Simulation is an accessible guide that offers information on the most important principles of chemical engineering design and includes illustrative examples of their application that uses simulation software. A comprehensive and practical resource, the text uses both Aspen Plus and Aspen Hysys simulation software. The author describes the basic methodologies for computer aided design and offers a description of the basic steps of process simulation in Aspen Plus and Aspen Hysys. The text reviews the design and simulation of individual simple unit operations that includes a mathematical model of each unit operation such as reactors, separators, and heat exchangers. The author also explores the design of new plants and simulation of existing plants where conventional chemicals and material mixtures with measurable compositions are used. In addition, to aid in comprehension, solutions to examples of real problems are included. The final section covers plant design and simulation of processes using nonconventional components. This important resource: * Includes information on the application of both the Aspen Plus and Aspen Hysys software that enables a comparison of the two software systems * Combines the basic theoretical principles of chemical process and design with real-world examples * Covers both processes with conventional organic chemicals and processes with more complex materials such as solids, oil blends, polymers and electrolytes * Presents examples that are solved using a new version of Aspen software, ASPEN One 9 Written for students and academics in the field of process design, Chemical Process Design and Simulation is a practical and accessible guide to the chemical process design and simulation using proven software.

Leseprobe

Chemical Process Design and Simulation

Aspen Plus and Aspen HYSYS Applications

Juma Haydary

Department of Chemical and Biochemical Engineering

Slovak University of Technology

Bratislava, Slovakia

This edition first published 2019© 2019 John Wiley & Sons, Inc.

A Joint Publication of the American Institute of Chemical Engineers and John Wiley & Sons, Inc.

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Library of Congress Cataloging-in-Publication Data is available.

Hardback ISBN: 9781119089117

Cover Design: Wiley

Cover Image: © evryka/Shutterstock

CONTENTS

Cover

List of Tables

List of Figures

About the Author

Preface

Acknowledgments

Abbreviations

Symbols

About the Companion Website

Part I Introduction to Design and Simulation

1 Introduction to Computer-Aided Process Design and Simulation

1.1 Process Design

1.2 Process Chemistry Concept

1.3 Technology Concept

1.4 Data Collection

1.5 Simulation of an Existing Process

1.6 Development of Process Flow Diagrams

1.7 Process Simulation Programs

1.8 Conventional versus Nonconventional Components

1.9 Process Integration and Energy Analysis

1.10 Process Economic Evaluation

References

2 General Procedure for Process Simulation

2.1 Component Selection

2.2 Property Methods and Phase Equilibrium

2.3 Chemistry and Reactions

2.4 Process Flow Diagrams

References

Part II Design and Simulation of Single Unit Operations

3 Heat Exchangers

3.1 Heater and Cooler Models

3.2 Simple Heat Exchanger Models

3.3 Simple Design and Rating of Heat Exchangers

3.4 Detailed Design and Simulation of Heat Exchangers

3.5 Selection and Costing of Heat Exchangers

References

4 Pressure Changing Equipment

4.1 Pumps, Hydraulic Turbines, and Valves

4.2 Compressors and Gas Turbines

4.3 Pressure Drop Calculations in Pipes

4.4 Selection and Costing of Pressure Changing Equipment

References

5 Reactors

5.1 Material and Enthalpy Balance of a Chemical Reactor

5.2 Stoichiometry and Yield Reactor Models

5.3 Chemical Equilibrium Reactor Models

5.4 Kinetic Reactor Models

5.5 Selection and Costing of Chemical Reactors

References

6 Separation Equipment

6.1 Single Contact Phase Separation

6.2 Distillation Column

6.3 Azeotropic and Extractive Distillation

6.4 Reactive Distillation

6.5 Absorption and Desorption

6.6 Extraction

6.7 Selection and Costing of Separation Equipment

References

7 Solid Handling

7.1 Dryer

7.2 Crystallizer

7.3 Filter

7.4 Cyclone

7.5 Selection and Costing of Solid Handling Equipment

Exercises - Part II

References

Part III Part III Plant Design and Simulation: Conventional Components

8 Simple Concept Design of a New Process

8.1 Analysis of Materials and Chemical Reactions

8.2 Selection of Technology

8.3 Data Analysis

8.4 Starting Aspen Simulation

8.5 Process Flow Diagram and Preliminary Simulation

References

9 Process Simulation in an Existing Plant

9.1 Analysis of Process Scheme and Syntheses of a Simulation Scheme

9.2 Obtaining Input Data from the Records of Process Operation and Technological Documentation

9.3 Property Method Selection

9.4 Simulator Flow Diagram

9.5 Simulation Results

9.6 Results Evaluation and Comparison with Real-Data Recorded

9.7 Scenarios for Suggested Changes and Their Simulation

References

10 Material Integration

10.1 Material Recycling Strategy

10.2 Material Recycling in Aspen Plus

10.3 Material Recycling in Aspen HYSYS

10.4 Recycling Ratio Optimization

10.5 Steam Requirement Simulation

10.6 Cooling Water and Other Coolants Requirement Simulation

10.7 Gas Fuel Requirement Simulation

References

11 Energy Integration

11.1 Energy Recovery Simulation by Aspen Plus

11.2 Energy Recovery Simulation in Aspen HYSYS

11.3 Waste Stream Combustion Simulation

11.4 Heat Pump Simulation

11.5 Heat Exchanger Networks and Energy Analysis Tools in Aspen Software

12 Economic Evaluation

12.1 Estimation of Capital Costs

12.2 Estimation of Operating Costs

12.3 Analysis of Profitability

12.4 Economic Evaluation Tools of Aspen Software

EXERCISES: PART III

References

Part IV Plant Design and Simulation: Nonconventional Components

13 Design and Simulation Using Pseudocomponents

13.1 Petroleum Assays and Blends

13.2 Primary Distillation of Crude Oil

13.3 Cracking and Hydrocracking Processes

References

14 Processes with Nonconventional Solids

14.1 Drying of Nonconventional Solids

14.2 Combustion of Solid Fuels

14.3 Coal, Biomass, and Solid Waste Gasification

14.4 Pyrolysis of Organic Solids and Bio-oil Upgrading

References

15 Processes with Electrolytes

15.1 Acid Gas Removal by an Alkali Aqueous Solution

15.2 Simulation of Sour Gas Removal by Aqueous Solution of Amines

15.3 Rate-Based Modeling of Absorbers with Electrolytes

References

16 Simulation of Polymer Production Processes

16.1 Overview of Modeling Polymerization Process in Aspen Plus

16.2 Component Characterization

16.3 Property Method

16.4 Reaction Kinetics

16.5 Process Flow Diagram

16.6 Results

Exercises: Part IV

References

Index

Eula

List of Tables

Chapter 1

Table 1.1

Chapter 2

Table 2.1

Table 2.2

Table 2.3

Table 2.4

Table 2.5

Table 2.6

Table 2.7

Chapter 3

Table 3.1

Table 3.2

Table 3.3

Chapter 4

Table 4.1

Table 4.2

Table 4.3

Table 4.4

Table 4.5

Table 4.6

Chapter 5

Table 5.1

Chapter 6

Table 6.1

Table 6.2

Table 6.3

Table 6.4

Table 6.5

Table 6.6

Table 6.7

Table 6.8

Table 6.9

Table 6.10

Chapter 7

Table 7.1

Table 7.2

Table 7.3

Table 7.4

Table 7.5

Table 7.6

Table II-1

Table II.2

Table II.3

Table II.4

Chapter 8

Table 8.1

Table 8.2

Table 8.3

Table 8.4

Table 8.5

Table 8.6

Table 8.7

Table 8.8

Table 8.9

Table 8.10

Table 8.11

Table 8.12

Chapter 9

Table 9.1

Table 9.2

Table 9.3

Table 9.4

Table 9.5

Table 9.6

Table 9.7

Table 9.8

Chapter 10

Table 10.1

Table 10.2

Table 10.3

Table 10.4

Table 10.5

Table 10.6

Table 10.7

Chapter 11

Table 11.1

Table 11.2

Table 11.3

Table 11.4

Table 11.5

Table 11.6

Table 11.7

Chapter 12

Table 12.1

Table 12.2

Table 12.3

Table 12.4

Table 12.5

Table 12.6

Table 12.7

Table 12.8

Table 12.9

Table 12.10

Table 12.11

Table 12.12

Table 12.13

Table 12.14

Table 12.15

Table 12.16

Table 12.17

Table 12.18

Table 12.19

Table 12.20

Chapter 13

Table 13.1

Table 13.2

Table 13.3

Table 13.4

Table 13.5

Table 13.6

Table 13.7

Table 13.8

Table 13.9

Table 13.10

Chapter 14

Table 14.1

Table 14.2

Table 14.3

Table 14.4

Table 14.5

Table 14.6

Table 14.7

Table 14.8

Table 14.9

Table 14.10

Table 14.11

Table 14.12

Table 14.13

Table 14.14

Table 14.15

Table 14.16

Chapter 15

Table 15.1

Table 15.2

Table 15.3

Table 15.4

Table 15.5

Table 15.6

Table 15.7

Table 15.8

Table 15.9

Table 15.10

Table 15.11

Table 15.12

Chapter 16

Table 16.1

Table 16.2

Table 16.3

Table 16.1A

Table 16.1B

Table 16.1C

Table 16.1D

Table 16.1E

List of Illustrations

Chapter 1

Figure 1.1

Hierarchy levels for chemical engineering design

Figure 1.2

Main steps of a chemical plant design

Figure 1.3

Simplified PFD for the vinyl acetate production process design

Figure 1.4

More complex PFD for vinyl acetate production

Figure 1.5

Structure of a process simulator

Figure 1.6

Open a new Aspen Plus simulation

Figure 1.7

Selection of the simulation type

Figure 1.8

Aspen Plus properties environment

Figure 1.9

Open a new Aspen HYSYS simulation

Figure 1.10

Aspen HYSYS properties environment

Chapter 2

Figure 2.1

Component list of the ethyl acetate process

Figure 2.2

Aspen Plus component search engine

Figure 2.3

Rename the component

Figure 2.4

Scalar parameters of pure components

Figure 2.5

Creation of a component list in Aspen HYSYS

Figure 2.6

Component properties page in Aspen HYSYS

Figure 2.7

Creation of a hypo component

Figure 2.8

Creation a set of hypo components

Figure 2.9

Chemical structure of dibenzo(a.h)anthracene

Figure 2.10

Molecular structure page

Figure 2.11

Molecular structure drawing tool

Figure 2.12

Molecular structure and bond calculation page

Figure 2.13

Pure component parameter estimation page

Figure 2.14

Results of component parameters estimation

Figure 2.15

Selection of component type

Figure 2.16

Entering known parameters of a pseudocomponent

Figure 2.17

Review of unknown parameters

Figure 2.18

Calculated unknown parameters

Figure 2.19

Comparison of isobaric

t–x,y

diagram of

n

-heptane/toluene binary mixture at 101...

Figure 2.20

Comparison of isobaric

x

,

y

diagram of

n

-heptane/toluene binary mixture at 101.3...

Figure 2.21

Selection of the Methods Assistance

Figure 2.22

Selection of the type of component system

Figure 2.23

Methods Assistance recommendation

Figure 2.24

Specification of the selected method on the Properties sheet

Figure 2.25

Description of the NRTL method incorporated in Aspen Help

Figure 2.26

Description of the Hyden-O'Connell equation of state incorporated in Aspen Help...

Figure 2.27

Binary interaction parameters of the NRTL equation for component pairs in the e...

Figure 2.28

Binary interaction parameters of the HOC equation of state for component pairs ...

Figure 2.29

Recommendation of the Methods Assistance for hydrocarbon systems

Figure 2.30

Selection of a property package in Aspen HYSYS

Figure 2.31

Binary interaction parameters of the Peng–Robinson equation of state

Figure 2.32

Description of the Peng-Robinson equation of state in Aspen HYSYS Help

Figure 2.33

Pure Component Property analysis sheet

Figure 2.34

Temperature dependence of molar heat of vaporization of ethyl acetate process c...

Figure 2.35

Viewing the results of pure component property analysis

Figure 2.36

Temperature dependence of dynamic viscosity for ethyl acetate process component...

Figure 2.37

Binary analysis data input page

Figure 2.38

T

–

xy

diagram of ethyl acetate–ethanol mixture generated by the Aspen Binary Ana...

Figure 2.39

Displaying complete isobaric equilibrium data calculated by the Binary Analysis...

Figure 2.40

Displaying other plots using the Plot toolbar

Figure 2.41

Use of the NIST ThermoData engine

Figure 2.42

Selection of isobaric VLE data in the NIST ThermoData engine

Figure 2.43

Comparison of VLE data for ethyl acetate–ethanol binary system calculated by NR...

Figure 2.44

Comparison of ethanol–acetic acid VLE data calculated by NRTL and NRTL-HOC dire...

Figure 2.45

Comparison of VLE data for the ethanol–acetic acid binary system calculated by ...

Figure 2.46

Comparison of VLE data for water–acetic acid binary system calculated by NRTL, ...

Figure 2.47

Selection of distillation synthesis ternary maps

Figure 2.48

Distillation synthesis parameter input page

Figure 2.49

Ternary diagrams of ethyl acetate–ethanol–water system

Figure 2.50

Residue curve map of ethyl acetate–ethanol–water system

Figure 2.51

Separation pathway for ethyl acetate from the ternary mixture ethyl acetate–eth...

Figure 2.52

Process scheme proposed for the separation of ethyl acetate from the ternary mi...

Figure 2.53

PT Envelope analysis page

Figure 2.54

PT Envelope analysis results for the whole range of temperatures and pressures

Figure 2.55

PT Envelope analysis results for a specific range of temperatures and pressures...

Figure 2.56

Adding a reaction set in Aspen HYSYS

Figure 2.57

Adding reactions to a reaction set and the reaction set to the Fluid Package

Figure 2.58

Defining the stoichiometry and conversion of reactions

Figure 2.59

Defining the stoichiometry and method of

Ke

calculation for an equilibrium reac...

Figure 2.60

Creating a new chemistry in Aspen Plus

Figure 2.61

Selecting chemistry by specifying the method and reaction type

Figure 2.62

Defining stoichiometry of reactions in Aspen Plus

Figure 2.63

Stoichiometry of electrolyte dissociation

Figure 2.64

Chemistry of neutralization defined in Aspen Plus

Figure 2.65

PFD for liquid phase CSTR ethyl acetate process

Figure 2.66

Selection of predefined block models in Aspen Plus

Figure 2.67

Multiple selection of a block model in Aspen Plus

Figure 2.68

Selection of material streams

Figure 2.69

PFD of the ethyl acetate process in Aspen Plus

Figure 2.70

A simple flow diagram of the toluene hydrodealkylation process for Example 2.15...

Figure 2.71

Selection and definition of connections of predefined models in Aspen HYSYS

Figure 2.72

Toluene hydrodealkylation flow diagram based on Example 2.15 requirements

Chapter 3

Figure 3.1

Heater model flowsheet

Figure 3.2

Input stream specification

Figure 3.3

Heater block specification by temperature and pressure

Figure 3.4

Displaying the heater block results

Figure 3.5

Specification of the heater block by setting the pressure and VF

Figure 3.6

Selection of the heat exchanger model in Aspen HYSYS

Figure 3.7

Connection of streams in the heat exchanger model

Figure 3.8

Entering input parameters using the worksheet page

Figure 3.9

Entering stream composition in Aspen HYSYS

Figure 3.10

Specification of heat exchanger in Aspen Plus

Figure 3.11

Specification of the overall heat transfer coefficient method in Aspen Plus

Figure 3.12

Results of simple rating calculation by Aspen Plus

Figure 3.13

Details of the existing heat exchanger used in Example 3.4

Figure 3.14

Selecting the heat exchanger model in Aspen HYSYS

Figure 3.15

Dividing shell into zones

Figure 3.16

Detailed sizing of the heat exchanger in Aspen HYSYS

Figure 3.17

Selection of the rigorous shell & tube model in Aspen HYSYS

Figure 3.18

Selection of hot fluid allocation

Figure 3.19

Transfer geometry defined in HYSYS

Figure 3.20

Results of the rigorous shell & tube model

Figure 3.21

Heat exchanger temperature profile calculated by EDR

Figure 3.22

Activating economic analyzer in Aspen Plus

Figure 3.23

Mapping of the unit operation model

Figure 3.24

Sizing of equipment

Figure 3.25

Economic evaluation and equipment cost

Chapter 4

Figure 4.1

Example of centrifugal pump performance curves

Figure 4.2

Flowsheet for a pump example

Figure 4.3

Specification of pump in Aspen Plus if discharge pressure is known

Figure 4.4

Results of pump block if discharge pressure is known

Figure 4.5

Pump performance curve specification in Aspen Plus

Figure 4.6

Results of pump simulation in Aspen Plus when the performance curve is known

Figure 4.7

Compressor flow diagram in Aspen HYSYS

Figure 4.8

Specification of compressor inlet stream

Figure 4.9

Specification of compressor parameters

Figure 4.10

Results of compressor calculation

Figure 4.11

Pipe system for pressure drop calculation

Figure 4.12

Definition of pipe segments

Figure 4.13

Specification of heat transfer conditions from the pipe system

Figure 4.14

Conditions of outlet stream from the pipe system

Figure 4.15

Pressure profile along the pipe

Figure 4.16

Classification of compressors and blowers in APEA

Figure 4.17

Economic analyzer mapping options

Figure 4.18

Mapping of equipment by APEA

Chapter 5

Figure 5.1

Conversion reactor model flowsheet in Aspen Plus

Figure 5.2

Specification of

Rstoic

by entering temperature and pressure

Figure 5.3

Specification of stoichiometry and conversion in

Rstoic

Figure 5.4

Creation of a calculator block in Aspen Plus

Figure 5.5

Defining the calculator block in Aspen Plus

Figure 5.6

Calculation formula and sequence in the calculator block

Figure 5.7

Setting the report options in Aspen Plus

Figure 5.8

Composition of products of ethylene oxide hydration

Figure 5.9

Setting the heat of reaction calculation

Figure 5.10

Results of the heat of reaction calculation

Figure 5.11

Adding reaction set to the reactor model in Aspen HYSYS

Figure 5.12

Starting a case study in Aspen HYSYS

Figure 5.13

Selecting variables for the case study

Figure 5.14

Specifying the range of independent variable for the case study

Figure 5.15

Composition of reaction products versus reaction temperature

Figure 5.16

CSTR flowsheet in Aspen Plus

Figure 5.17

Specification of

RCSTR

in Aspen Plus

Figure 5.18

Defining reactions for kinetic reactor models

Figure 5.19

Selection of reaction class and stoichiometry

Figure 5.20

Entering kinetic parameters

Figure 5.21

Entering equilibrium constant for reverse reaction

Figure 5.22

Adding reaction to the CSTR model in Aspen Plus

Figure 5.23

Starting a sensitivity analysis in Aspen Plus

Figure 5.24

Defining parameters for sensitivity analysis

Figure 5.25

Defining a local parameter in sensitivity analysis

Figure 5.26

Results of sensitivity analysis, conversion versus reactor volume

Figure 5.27

Kinetic parameters of heterogeneous catalytic reaction

Figure 5.28

PFR model flow diagram

Figure 5.29

Entering catalyst data

Figure 5.30

PFR sizing in Aspen HYSYS

Figure 5.31

Selecting a spreadsheet block

Figure 5.32

Defining import variables in the Spreadsheet block

Figure 5.33

Calculation of selectivity to styrene in the Spreadsheet block

Figure 5.34

Temperature and pressure profiles in PFR for styrene production, respectively

Figure 5.35

Composition profile in PFR for styrene production

Figure 5.36

Conversion of ethylbenzene and selectivity to styrene

Figure 5.37

List of agitators and agitated tanks available in APEA for CSTR mapping

Figure 5.38

Selection of material type

Figure 5.39

Relation between the reactor volume, conversion, and equipment cost

Figure 5.40

Cost of utilities as a function of reactor volume and conversion

Chapter 6

Figure 6.1

Separation processes in a chemical plant

Figure 6.2

Scheme of a continuous single-stage liquid–vapor separation

Figure 6.3

Single-stage flash distillation flowsheet

Figure 6.4

UNIQUAC binary interaction parameters page in Aspen Plus

Figure 6.5

Three-phase flash unit operation block in Aspen Plus

Figure 6.6

Shortcut model flow diagram in Aspen HYSYS

Figure 6.7

Specifying parameters for the shortcut distillation calculation

Figure 6.8

Results of the shortcut distillation model

Figure 6.9

General scheme of multistage and multicomponent separation

Figure 6.10

Distillation column connection page of Aspen HYSYS

Figure 6.11

Distillation column input expert final tab

Figure 6.12

Running the calculation of the distillation column

Figure 6.13

Adding new column specification

Figure 6.14

Defining column specification by the component mole fraction

Figure 6.15

Calculation of column parameters with new specifications

Figure 6.16

Number of theoretical stages versus reflux ratio

Figure 6.17

Extractive distillation flow diagram without solvent recycling

Figure 6.18

Specification of the

Radfrac

unit operation block

Figure 6.19

Specifying feed streams, stages, and pressure in the column

Figure 6.20

n

-Heptane purity versus the NMP feed stage

Figure 6.21

Product purity versus the solvent-specific requirement

Figure 6.22

Isobaric binary

t–xy

diagrams of benzene/cyclohexane and acetone/cyclohexane bi...

Figure 6.23

Ternary map of the acetone, benzene, and cyclohexane system

Figure 6.24

Scheme of an azeotropic distillation column in Aspen HYSYS

Figure 6.25

Reactive distillation flow diagram of the ethyl acetate process

Figure 6.26

Configuration of reactive distillation column

Figure 6.27

Reactive stages and holdup specification

Figure 6.28

Defining an equilibrium-type chemical reaction

Figure 6.29

Reactive distillation column temperature profile

Figure 6.30

Reactive distillation column composition profile

Figure 6.31

Defining column efficiency

Figure 6.32

Absorber–desorber flow diagram

Figure 6.33

Specification of the desorber by the overhead product rate

Figure 6.34

Ternary diagram of the

n

-heptane, benzene, and DMSO system

Figure 6.35

Multistage extraction process flow diagram

Figure 6.36

Key component selection for the liquid phases and extractor stream connection

Figure 6.37

Defining the design specification

Figure 6.38

Defining the variable to be specified and manipulated

Figure 6.39

Components of the RadFrac unit operation model

Figure 6.40

Mapping of a distillation column

Figure 6.41

Selection of the tray type in a tray column (a) and packing type in a packed co...

Chapter 7

Figure 7.1

Example of drying curve

Figure 7.2

Solid characterization tab

Figure 7.3

Drying process flowsheet

Figure 7.4

Defining of solid streams

Figure 7.5

Specification of a dryer unit operation block

Figure 7.6

Results of convective drying simulation

Figure 7.7

Plots available for the convective dryer model in Aspen Plus

Figure 7.8

Temperature profile of a convective dryer

Figure 7.9

Moisture profile of a convective dryer

Figure 7.10

Crystallization process flow diagram

Figure 7.11

Defining crystallization stoichiometry

Figure 7.12

Results of crystallization process simulation

Figure 7.13

Flow diagram of a crystallization process with filtration

Figure 7.14

Specifying the

Filter

unit operation block

Figure 7.15

Cyclone flow diagram

Figure 7.16

Defining of an NC solid substream

Figure 7.17

Specification of a cyclone unit operation block

Figure 7.18

Results of cyclone simulation

Figure 7.19

Separation efficiency curve of a cyclone

Figure 7.20

Scheme of dryer types available in APEA

Chapter 8

Figure 8.1

Continuous ethyl acetate production process

Figure 8.2

Adiabatic dehydrogenation of ethylbenzene to styrene. Abbreviations: F-EB, fres...

Figure 8.3

Isothermal dehydrogenation of ethylbenzene to styrene

Figure 8.4

Standard approach in styrene separation

Figure 8.5

Monsanto approach in styrene separation

Figure 8.6

Vapor pressure of the styrene process components versus temperature

Figure 8.7

Ethylbenzene–styrene vapor–liquid phase equilibrium data at 5 kPa

Figure 8.8

Ethylbenzene–styrene isobaric vapor–liquid equilibrium data measured by differe...

Figure 8.9

Isobaric

x–y

diagram of ethylbenzene–styrene binary system

Figure 8.10

Effect of pressure on ethylbenzene to styrene relative volatility

Figure 8.11

Isobaric vapor liquid equilibrium data for the toluene–ethylbenzene binary syst...

Figure 8.12

Isobaric

x–y

diagram of the toluene–ethylbenzene binary system

Figure 8.13

Preliminary flow diagram of the ethyl acetate process

Figure 8.14

Options for continuing with stream specification

Figure 8.15

Defining a design specification in Aspen Plus

Figure 8.16

Defining a variable parameter in Aspen Plus

Figure 8.17

First stage of the styrene process flow diagram

Figure 8.18

Replacing of preliminary-defined streams by new streams

Figure 8.19

Flow diagram of the reaction part of the styrene process

Figure 8.20

Flow diagram of the separation part of the styrene process

Chapter 9

Figure 9.1

Process flow diagram derived from a technological scheme

Figure 9.2

Simulation scheme obtained from a more complex PFD

Figure 9.3

Calculated and experimental equilibrium constant of propane to pentane versus p...

Figure 9.4

Isobaric equilibrium data for

n

-butane/

n

-pentane at 2,068 kPa

Figure 9.5

Isothermal equilibrium data for the C3/C4 system at 53 °C

Figure 9.6

Switching between solver active and on hold modes in Aspen HYSYS

Figure 9.7

HYSYS flow diagram for the light gases separation process

Figure 9.8

Parameters of recycled and removed pentane streams

Figure 9.9

Results obtained for the heat exchangers used

Figure 9.10

Process flow diagram without column D215

Figure 9.11

Heat exchanger worksheets for the process without D215

Chapter 10

Figure 10.1

Strategy for a material stream recycling

Figure 10.2

Convergence method and parameters in Aspen Plus

Figure 10.3

Ethyl acetate process with recycle loops

Figure 10.4

Design specification for acetic acid recycling

Figure 10.5

Connecting material recycle streams in Aspen HYSYS

Figure 10.6

Convergence parameters page of Aspen HYSYS

Figure 10.7

Styrene production process flowsheet with ethylbenzene recycling

Figure 10.8

Simplified flow diagram of vinyl acetate production

Figure 10.9

Defining a calculator block for acetic acid makeup

Figure 10.10

Calculator block for acetylene mole flow

Figure 10.11

Sensitivity block for split fraction optimization

Figure 10.12

Split fraction optimization results

Figure 10.13

Defining the optimization tool

Figure 10.14

Optimization results

Figure 10.15

Steam requirement calculation of distillation columns

Figure 10.16

Specification of a heater block

Figure 10.17

Simulation of a refrigeration cycle

Figure 10.18

Design specification for ammonia requirement

Figure 10.19

Defining conversion reaction in Aspen HYSYS

Figure 10.20

Flow diagram for fuel requirement calculation

Figure 10.21

Defining the

Set

operator

Figure 10.22

Defining a spreadsheet in Aspen HYSYS

Figure 10.23

Defining the adjust operator

Chapter 11

Figure 11.1

A simple straight simulation of

n

-heptane dehydrogenation

Figure 11.2

Defining a calculator bloc in Aspen Plus

Figure 11.3

Calculation of fuel requirement using interconnection of blocks with heat strea...

Figure 11.4

Results of methane requirement calculation without energy recovery

Figure 11.5

One of the possible arrangements for heat recovery from the

n

-heptane dehydroge...

Figure 11.6

Combustion of natural gas and the use of flue gases heat in the styrene process...

Figure 11.7

Styrene production process energy recovery simulation

Figure 11.8

Waste stream combustion in the styrene process

Figure 11.9

Heat pump cycle

Figure 11.10

Possible arrangements of heat pumps in a distillation column

Figure 11.11

Heat pump simulation in propylene/propane separation process

Figure 11.12

Composite curves

Figure 11.13

Grand composite curves

Figure 11.14

Cost targeting before HEN design

Figure 11.15

Example of a grid diagram

Figure 11.16

Section of the

n

-heptane dehydrogenation process for PPA

Figure 11.17

Starting energy analysis

Figure 11.18

Targets and energy saving potential

Figure 11.19

Results of energy analysis provided directly in the simulation environment

Figure 11.20

Summary of performance and grid diagram for the current simulation case

Figure 11.21

Details of heat exchanger connections in AEA

Figure 11.22

Composite curve and targets estimated by the PPA

Figure 11.23

Finding an optimal HEN arrangement

Figure 11.24

Near optimal design of HEN recommended by AEA

Figure 11.25

Process flow diagram after optimized HEN implementation

Chapter 12

Figure 12.1

Flow diagram of syngas compression

Figure 12.2

Flow diagram of the reaction section of the methanol process

Figure 12.3

Flow diagram of the distillation section of the methanol process

Figure 12.4

Steps of economic analysis in the integrated APEA

Figure 12.5

Entering costs of raw materials in an Aspen simulation

Figure 12.6

Cash flow diagram calculated for the methanol process

Figure 12.7

Process economic evaluation by one click

Figure 12.8

Use of Economics Active for economic evaluation

Figure 12.9

Investment analysis Excel sheet in the Economics Active method

Figure 12.10

Sending a simulation to APEA

Figure 12.11

Mapping, sizing, and evaluation of unit operation blocks in APEA

Figure 12.12

Editing equipment sizing and displaying economic evaluation results of a single...

Chapter 13

Figure 13.1

Generation of pseudocomponents based on boiling point ranges

Figure 13.2

Importing a petroleum suitable component list

Figure 13.3

Selecting a fluid package and opening the Petroleum assay manager

Figure 13.4

Adding a new petroleum assay

Figure 13.5

Selecting an assay based on the country of origin

Figure 13.6

Characterized assay

Figure 13.7

Formatting assay characteristic plots

Figure 13.8

TBP distillation curve of selected crude oil

Figure 13.9

Content of PNA of the selected crude oil

Figure 13.10

Opening a refinery petroleum fractionation simulation case in Aspen Plus

Figure 13.11

A typical petroleum refinery component list in Aspen Plus

Figure 13.12

Distillation curve specification

Figure 13.13

Light end composition tab

Figure 13.14

Generation of pseudocomponents

Figure 13.15

Results of pseudocomponents generation

Figure 13.16

Attaching of a petroleum assay to HYSYS simulation

Figure 13.17

Column specification by condenser temperature and 95% cut point of the ASTM dis...

Figure 13.18

Specifications of the preflash column

Figure 13.19

Side stripper specification in HYSYS

Figure 13.20

Pumparound specification in HYSYS

Figure 13.21

Crude oil atmospheric distillation flowsheet

Figure 13.22

Displaying product assay curves

Figure 13.23

Selecting curve type and products

Figure 13.24

TBP curves for atmospheric column products

Figure 13.25

Scheme of the vacuum distillation column

Figure 13.26

Selecting the PetroFrac unit operation model

Figure 13.27

Crude oil primary distillation flow diagram in AspenPlus

Figure 13.28

Atmospheric column specification

Figure 13.29

Side stream specification

Figure 13.30

Pumparound specification

Figure 13.31

Vacuum column specification

Figure 13.32

Changing thermodynamic method for the vacuum column

Figure 13.33

Temperature and flow profiles in the atmospheric distillation column

Figure 13.34

Displaying distillation curves

Figure 13.35

ASTM D86 curves of atmospheric column products and feed

Figure 13.36

Comparison of experimental and model ASTM D86 distillation curves

Figure 13.37

ASTM D86 distillation curves of vacuum column products

Figure 13.38

Refinery models of Aspen HYSYS V.9

Figure 13.39

Reaction scheme of VR hydrocracking

Figure 13.40

Scheme of a typical fixed bed hydrocracking process with two reactors

Figure 13.41

Ebullated bed hydrocracking

Figure 13.42

Generation of pseudocomponents from a set of assays

Figure 13.43

VR hydrocracking PFD

Figure 13.44

Selecting a user model in Aspen Plus

Figure 13.45

Specification of the user model

Figure 13.46

Excel file sheets for communication with Aspen

Figure 13.47

Product yields of VR hydrocracking calculated by the kinetic model

Figure 13.48

Effect of reactor temperature on the distillation curve of the product yields

Figure 13.49

Selecting an FCC model in Aspen HYSYS

Figure 13.50

Connecting of an FCC unit with internal feed only

Figure 13.51

Defining the FCC feed

Figure 13.52

FCC feed specification

Figure 13.53

FCC riser specification

Figure 13.54

FCC regenerator specification

Figure 13.55

FCC simulation results

Chapter 14

Figure 14.1

Selecting nonconventional component type

Figure 14.2

Specifying property methods for nonconventional components

Figure 14.3

Defining parameters of nonconventional components

Figure 14.4

Parameters input for nonconventional components

Figure 14.5

Specifying stream class

Figure 14.6

Biomass drying process flow diagram

Figure 14.7

Specifying NC solid substream

Figure 14.8

Summary of biomass drying results at the air to biomass mass flow ratio of 4

Figure 14.9

Results of biomass dryer sensitivity analysis

Figure 14.10

Biomass combustion PFD

Figure 14.11

Variables in the Calculator block

Figure 14.12

Calculation of wet basis yields

Figure 14.13

Solid separator specification

Figure 14.14

Counter-current (a-updraft) and co-current (b-downdraft) moving bed gasifiers

Figure 14.15

Circulating fluidized bed gasifier

Figure 14.16

Entrained flow gasifier

Figure 14.17

Simplified scheme of solid fuel gasification for methanol production

Figure 14.18

RDF gasification PFD

Figure 14.19

Variables defined in the gasifier calculator block

Figure 14.20

Calculation of mass yields and calculation sequence

Figure 14.21

Content of major components and gasifier temperature versus oxygen to RDF mass ...

Figure 14.22

Conversion, specific gas volume flow, gas lower heating value (LHV), and gasifi...

Figure 14.23

Gas tar content and, mole fraction of CO

2

, gasifier temperature, and conversion...

Figure 14.24

Effect of steam to RDF mass ratio on gas composition and reactor temperature

Figure 14.25

Biomass pyrolysis PFD

Figure 14.26

Configuration of the bio-oil upgrading distillation column

Figure 14.27

Side stripper specification

Chapter 15

Figure 15.1

Selecting Electrolyte Wizard

Figure 15.2

Base component and reaction generation options and generated species and reacti...

Figure 15.3

Selecting electrolyte simulation approach

Figure 15.4

Reviewing equilibrium constants

Figure 15.5

Final list of components including electrolyte species

Figure 15.6

PFD for HCl removal from the vinyl chloride stream

Figure 15.7

Effect of solvent mass flow on HCl removal

Figure 15.8

Effect of temperature on HCl removal

Figure 15.9

Process flow diagram of acid gas removal by water solution of amines

Figure 15.10

Selection of the rate-based approach

Figure 15.11

Specifying column internals

Figure 15.12

Specifying the rate-based parameters

Figure 15.13

Results of column internal geometry

Figure 15.14

Concentration profile of HCl in the gas phase

Figure 15.15

Temperature profiles of liquid and gas phases

Chapter 16

Figure 16.1

Starting the simulation of a process with polymers

Figure 16.2

Defining a new unit set

Figure 16.3

Component list for PS free-radical bulk polymerization

Figure 16.4

Specifying segment type and group of polymer attributes

Figure 16.5

Polymer component attributes

Figure 16.6

Defining pure component scalar parameters

Figure 16.7

Selecting polymerization reaction type

Figure 16.8

Specifying polymerization reaction species

Figure 16.9

Creation of polymerization reactions

Figure 16.10

List of styrene bulk free-radical polymerization reactions

Figure 16.11

Kinetic parameters of styrene bulk free-radical polymerization (2)

Figure 16.12

Special initiation parameters

Figure 16.13

Styrene bulk free-radical polymerization PFD

Figure 16.14

Defining DS block to adjust constant feed composition

Figure 16.15

List of defined variables for sensitivity analysis

Figure 16.16

Calculation of conversion and tabulated variables in sensitivity analysis

Figure 16.17

Displaying polymer chain size results

Figure 16.18

Chain size distribution curves

Figure 16.19

Effect of the second reactor temperature on conversion in the reactors

Figure 16.20

Effect of the second reactor temperature on the PDI

Figure 16.21

Effect of the second reactor temperature on polymer MWW

Figure 16.22

Effect of the second reactor temperature on polymer MWN

Figure 16.23

Effect of the second reactor temperature on mass flow of the produced PS and re...

Guide

Cover

Table of Contents

Preface

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To my mother, to Zuzana, and to Sebastian and Sabina

List of Tables

1.1

List of most known process simulators

2.1

Some properties of ethyl acetate process components

2.2

ASPEN physical property databanks

2.3

Available submodels in Aspen Plus

2.4

Some cubic equations of state in the Aspen Physical Property System and Aspen HYSYS

2.5

Equation of state models

2.6

Azeotropes of ethyl acetate–ethanol– water mixture

2.7

Singular points of ethyl acetate–ethanol–water mixture

3.1

Tube side heat transfer coefficient correlations

3.2

Shell-side heat transfer coefficient correlations

3.3

Geometry of the heat exchanger used in

Example 3.4

4.1

Pump performance curve data

4.2

Composition of natural gas used in

Example 4.2

4.3

Correlations used for pipe pressure drop calculation in Aspen HYSYS

4.4

Operating range of some types of pumps

4.5

Design information mapped from the simulation

4.6

Results of compressor costing

5.1

Composition of reactants and products of the ethyl acetate process

6.1

Results of the HYSYS separator model

6.2

Results of the Aspen Plus FLASH3 model

6.3

Material and energy balance of the column

6.4

Conditions and compositions of material streams in extractive distillation

6.5

Results of azeotropic distillation

6.6

Results of reactive distillation simulation

6.7

Calculation of mole fractions from mass concentration

6.8

Results of the light gas absorption– desorption process

6.9

Results of design specification

6.10

Cost of the equipment

7.1

Drying curve data

7.2

Particle size distribution

7.3

Solubility of CuSO

4

at different temperatures

7.4

Sensitivity analysis results: Effect of temperature

7.5

Material balance of filtration

7.6

Ash particle size distribution

8.1

Some properties of pure components of the ethyl acetate process

8.2

Some properties of pure components of the styrene process

8.3

Kinetic parameters of the ethyl acetate process from different sources

8.4

Activation energy of ethylbenzene catalytic dehydrogenation

8.5

Parameters of distillation columns

8.6

Stream results for the reactive distillation column

8.7

Stream results for the liquid–liquid phase separator

8.8

Stream results for the ethyl acetate purification column

8.9

Stream results for the acetic acid recovery column

8.10

Stream results for the aqueous phase distillation column

8.11

Results of the reaction part simulation of the styrene process

8.12

Results of the separation part simulation of the styrene process

9.1

Feed streams mass flows and compositions

9.2

Parameters of the columns

9.3

Geometry of heat exchangers

9.4

Material balance of columns

9.5

Process energy streams

9.6

Comparison of measured and simulated product composition

9.7

Comparison of scenarios with and without column D215

9.8

Comparison of energy streams

10.1

Material balance results for MIXER1 and MIXER2

10.2

Material balance results for the reactive distillation column (RD)

10.3

Material balance results for the LL phase separator (DEC)

10.4

Material balance results for the ethyl acetate purification column (C1)

10.5

Internal tolerances of Aspen HYSYS

10.6

Results of the styrene process after ethylbenzene recycling

10.7

Results of steam requirement calculation

11.1

Component list for

n

-heptane dehydrogenation process

11.2

Calculated process heat requirement

11.3

Material streams flow and conditions

11.4

Heat streams information

11.5

Stream conditions of the styrene process after energy recovery

11.6

Stream results of waste combustion in the styrene process

11.7

Purity of products, reboiler duty, and compressor power

12.1

Material balance of syngas compression

12.2

Material balance of the reaction section of the methanol process

12.3

Material balance of the distillation section of the methanol process

12.4

Parameters and costs of heat exchangers

12.5

Parameters and costs of pumps

12.6

Parameters and costs of compressors

12.7

Parameters and costs of distillation columns

12.8

Costs of vapor–liquid (VL) separators

12.9

Parameters and costs of the reactor

12.10

Purchased costs and total costs of equipment installed

12.11

Indirect capital costs

12.12

Total capital investment of the methanol process

12.13

Operating costs

12.14

Utility costs of the methanol process

12.15

Operating labor

12.16

Other manufacturing costs

12.17

General expenses

12.18

Total annual operating costs

12.19

Summary of the methanol process profitability analysis

12.20

Cash flow diagram data for the methanol process

13.1

TBP distillation data

13.2

Composition of end lights

13.3

Side stripers and pumparounds specifications

13.4

Stream results for the preflash column

13.5

Atmospheric column stream results

13.6

Experimentally measured distillation curves

13.7

Refinery reactor models of Aspen HYSYS

13.8

Kinetic parameters of VR hydrocracking

13.9

TBP distillation curves and API degrees of products

13.10

FCC feed properties

14.1

Component attributes in Aspen Plus

14.2

Types of stream classes in Aspen Plus

14.3

Characteristics of used biomass

14.4

Drying curve parameters of used biomass

14.5

Stream results for the biomass combustion process

14.6

Equilibrium constants of the main coal gasification reactions

14.7

A typical elemental composition of RDF and its components

14.8

Producer gas tar content

14.9

Component list for RDF gasification

14.10

Stream results of the RDF gasification process

14.11

Summary of RDF gasification process results under optimal conditions

14.12

Biomass and char attributes

14.13

Component list for biomass pyrolysis

14.14

Pseudocomponents defined in the biomass pyrolysis process

14.15

Product yields

14.16

Results of biomass pyrolysis process

15.1

Electrolyte pair parameters in HCl removal from the vinyl chloride stream

15.2

Inlet stream specification

15.3

Stream results for HCl removal in the vinyl chloride process

15.4

Component list for amine cleaning of syngas

15.5

Reaction scheme of the amine process for syngas cleaning

15.6

Inlet stream specification data

15.7

Results for HCl scrubber (ABS-1)

15.8

Results for amine absorber (ABS-2)

15.9

Results for regeneration column (DC-1)

15.10

Calculated HETP

15.11

Stream results of rate-based calculation of an HCl scrubber

15.12

Effect of packing type and size on HCl removal

16.1

Summary of Aspen polymer property methods

16.2

Stream results of styrene polymerization

16.3

Conversion and polymer properties results

List of Figures

1.1

Hierarchy levels for chemical engineering design

1.2

Main steps of a chemical plant design

1.3

Simplified PFD for the vinyl acetate production process design

1.4

More complex PFD for vinyl acetate production

1.5

Structure of a process simulator

1.6

Open a new Aspen Plus simulation

1.7

Selection of the simulation type

1.8

Aspen Plus properties environment

1.9

Open a new Aspen HYSYS simulation

1.10

Aspen HYSYS properties environment

2.1

Component list of the ethyl acetate process

2.2

Aspen Plus component search engine

2.3

Rename the component

2.4

Scalar parameters of pure components

2.5

Creation of a component list in Aspen HYSYS

2.6

Component properties page in Aspen HYSYS

2.7

Creation of a hypo component

2.8

Creation a set of hypo components

2.9

Chemical structure of dibenzo (a.h) anthracene

2.10

Molecular structure page

2.11

Molecular structure drawing tool

2.12

Molecular structure and bond calculation page

2.13

Pure component parameter estimation page

2.14

Results of component parameters estimation

2.15

Selection of component type

2.16

Entering known parameters of a pseudocomponent

2.17

Review of unknown parameters

2.18

Calculated unknown parameters

2.19

Comparison of isobaric

t–x,y

diagram of

n

-heptane/toluene binary mixture

2.20

Comparison of isobaric

x

,

y

diagram of

n

-heptane/toluene binary mixture

2.21

Selection of the Methods Assistance

2.22

Selection of the type of component system

2.23

Methods Assistance recommendation

2.24

Specification of the selected method on the Properties sheet

2.25

Description of the NRTL method

2.26

Description of the Hyden-O'Connell equation of state

2.27

Binary interaction parameters of the NRTL equation

2.28

Binary interaction parameters of the HOC equation of state

2.29

Recommendation of the Methods Assistance for hydrocarbon systems

2.30

Selection of a property package in Aspen HYSYS

2.31

Binary interaction parameters of the Peng–Robinson equation of state

2.32

Description of the Peng-Robinson equation of state in Aspen HYSYS Help

2.33

Pure Component Property analysis sheet

2.34

Temperature dependence of molar heat of vaporization of ethyl acetate process components

2.35

Viewing the results of pure component property analysis

2.36

Temperature dependence of dynamic viscosity for ethyl acetate process components

2.37

Binary analysis data input page

2.38

T

–

xy

diagram of ethyl acetate–ethanol mixture

2.39

Displaying complete isobaric equilibrium data

2.40

Displaying other plots using the Plot toolbar

2.41

Use of the NIST ThermoData engine

2.42

Selection of isobaric VLE data in the NIST ThermoData engine

2.43

Comparison of VLE data for ethyl acetate–ethanol binary system

2.44

Comparison of ethanol–acetic acid VLE data

2.45

Comparison of VLE data for the ethanol–acetic acid binary system

2.46

Comparison of VLE data for water–acetic acid binary system

2.47

Selection of distillation synthesis ternary maps

2.48

Distillation synthesis parameter input page

2.49

Ternary diagrams of ethyl acetate– ethanol–water system

2.50

Residue curve map of ethyl acetate– ethanol–water system

2.51

Separation pathway for ethyl acetate

2.52

Process scheme proposed for the separation of ethyl acetate from the ternary mixture

2.53

PT Envelope analysis page

2.54

PT Envelope analysis results for the whole range of temperatures and pressures

2.55

PT Envelope analysis results for a specific range of temperatures and pressures

2.56

Adding a reaction set in Aspen HYSYS

2.57

Adding reactions to a reaction set and the reaction set to the Fluid Package

2.58

Defining the stoichiometry and conversion of reactions

2.59

Defining the stoichiometry and method of

Ke

calculation

2.60

Creating a new chemistry in Aspen Plus

2.61

Selecting chemistry by specifying the method and reaction type

2.62

Defining stoichiometry of reactions in Aspen Plus

2.63

Stoichiometry of electrolyte dissociation

2.64

Chemistry of neutralization defined in Aspen Plus

2.65

PFD for liquid phase CSTR ethyl acetate process

2.66

Selection of predefined block models in Aspen Plus

2.67

Multiple selection of a block model in Aspen Plus

2.68

Selection of material streams

2.69

PFD of the ethyl acetate process in Aspen Plus

2.70

A simple flow diagram of the toluene hydrodealkylation process

2.71

Selection and definition of connections of predefined models

2.72

Toluene hydrodealkylation flow diagram

3.1

Heater model flowsheet

3.2

Input stream specification

3.3

Heater block specification by temperature and pressure

3.4

Displaying the heater block results

3.5

Specification of the heater block by setting the pressure and VF

3.6

Selection of the heat exchanger model in Aspen HYSYS

3.7

Connection of streams in the heat exchanger model

3.8

Entering input parameters using the worksheet page

3.9

Entering stream composition in Aspen HYSYS

3.10

Specification of heat exchanger in Aspen Plus

3.11

Specification of the overall heat transfer coefficient method

3.12

Results of simple rating calculation

3.13

Details of the existing heat exchanger

3.14

Selecting the heat exchanger model

3.15

Dividing shell into zones

3.16

Detailed sizing of the heat exchanger

3.17

Selection of the rigorous shell & tube model in Aspen HYSYS

3.18

Selection of hot fluid allocation

3.19

Transfer geometry defined in HYSYS

3.20

Results of the rigorous shell & tube model

3.21

Heat exchanger temperature profile calculated by EDR

3.22

Activating economic analyzer in Aspen Plus

3.23

Mapping of the unit operation model

3.24

Sizing of equipment

3.25

Economic evaluation and equipment cost

4.1

Example of centrifugal pump performance curves

4.2

Flowsheet for a pump example

4.3

Specification of pump in Aspen Plus if discharge pressure is known

4.4

Results of pump block if discharge pressure is known

4.5

Pump performance curve specification

4.6

Results of pump simulation in Aspen Plus

4.7

Compressor flow diagram

4.8

Specification of compressor inlet stream

4.9

Specification of compressor parameters

4.10

Results of compressor calculation

4.11

Pipe system for pressure drop calculation

4.12

Definition of pipe segments

4.13

Specification of heat transfer conditions from the pipe system

4.14

Conditions of outlet stream from the pipe system

4.15

Pressure profile along the pipe

4.16

Classification of compressors and blowers in APEA

4.17

Economic analyzer mapping options

4.18

Mapping of equipment by APEA

5.1

Conversion reactor model flowsheet in Aspen Plus

5.2

Specification of

Rstoic

by entering temperature and pressure

5.3

Specification of stoichiometry and conversion in

Rstoic

5.4

Creation of a calculator block in Aspen Plus

5.5

Defining the calculator block in Aspen Plus

5.6

Calculation formula and sequence in the calculator block

5.7

Setting the report options in Aspen Plus

5.8

Composition of products of ethylene oxide hydration

5.9

Setting the heat of reaction calculation

5.10

Results of the heat of reaction calculation

5.11

Adding reaction set to the reactor model in Aspen HYSYS

5.12

Starting a case study in Aspen HYSYS

5.13

Selecting variables for the case study

5.14

Specifying the range of independent variable for the case study

5.15

Composition of reaction products versus reaction temperature

5.16

CSTR flowsheet in Aspen Plus

5.17

Specification of

RCSTR

in Aspen Plus

5.18

Defining reactions for kinetic reactor models

5.19

Selection of reaction class and stoichiometry

5.20

Entering kinetic parameters

5.21

Entering equilibrium constant for reverse reaction

5.22

Adding reaction to the CSTR model in Aspen Plus

5.23

Starting a sensitivity analysis in Aspen Plus

5.24

Defining parameters for sensitivity analysis

5.25

Defining a local parameter in sensitivity analysis

5.26

Results of sensitivity analysis, conversion versus reactor volume

5.27

Kinetic parameters of heterogeneous catalytic reaction

5.28

PFR model flow diagram

5.29

Entering catalyst data

5.30

PFR sizing in Aspen HYSYS

5.31

Selecting a spreadsheet block

5.32

Defining import variables in the Spreadsheet block

5.33

Calculation of selectivity to styrene in the Spreadsheet block

5.34

Temperature and pressure profiles in PFR for styrene production

5.35

Composition profile in PFR for styrene production

5.36

Conversion of ethylbenzene and selectivity to styrene

5.37

List of agitators and agitated tanks available in APEA

5.38

Selection of material type

5.39

Relation between the reactor volume, conversion, and equipment cost

5.40

Cost of utilities as a function of reactor volume and conversion

6.1

Separation processes in a chemical plant

6.2

Scheme of a continuous single-stage liquid–vapor separation

6.3

Single-stage flash distillation flowsheet

6.4

UNIQUAC binary interaction parameters page in Aspen Plus

6.5

Three-phase flash unit operation block in Aspen Plus

6.6

Shortcut model flow diagram in Aspen HYSYS

6.7

Specifying parameters for the shortcut distillation calculation

6.8

Results of the shortcut distillation model

6.9

General scheme of multistage and multicomponent separation

6.10

Distillation column connection page of Aspen HYSYS

6.11

Distillation column input expert final tab

6.12

Running the calculation of the distillation column

6.13

Adding new column specification

6.14

Defining column specification by the component mole fraction

6.15

Calculation of column parameters with new specifications

6.16

Number of theoretical stages versus reflux ratio

6.17

Extractive distillation flow diagram without solvent recycling

6.18

Specification of the

Radfrac

unit operation block

6.19

Specifying feed streams, stages, and pressure in the column

6.20

n

-Heptane purity versus the NMP feed stage

6.21

Product purity versus the solvent-specific requirement

6.22

Isobaric binary

t–xy

diagrams

6.23

Ternary map of the acetone, benzene, and cyclohexane system

6.24

Scheme of an azeotropic distillation column in Aspen HYSYS

6.25

Reactive distillation flow diagram of the ethyl acetate process

6.26

Configuration of reactive distillation column

6.27

Reactive stages and holdup specification

6.28

Defining an equilibrium-type chemical reaction

6.29

Reactive distillation column temperature profile

6.30

Reactive distillation column composition profile

6.31

Defining column efficiency

6.32

Absorber–desorber flow diagram

6.33

Specification of the desorber by the overhead product rate

6.34

Ternary diagram of the

n

-heptane, benzene, and DMSO system

6.35

Multistage extraction process flow diagram

6.36

Key component selection for the liquid phases and extractor stream connection

6.37

Defining the design specification

6.38

Defining the variable to be specified and manipulated

6.39

Components of the RadFrac unit operation model

6.40

Mapping of a distillation column

6.41

Selection of the tray type in a tray column and packing type in a packed column

7.1

Example of drying curve

7.2

Solid characterization tab

7.3

Drying process flowsheet

7.4

Defining of solid streams

7.5

Specification of a dryer unit operation block

7.6

Results of convective drying simulation

7.7

Plots available for the convective dryer model in Aspen Plus

7.8

Temperature profile of a convective dryer

7.9

Moisture profile of a convective dryer

7.10

Crystallization process flow diagram

7.11

Defining crystallization stoichiometry

7.12

Results of crystallization process simulation

7.13

Flow diagram of a crystallization process with filtration

7.14

Specifying the

Filter

unit operation block

7.15

Cyclone flow diagram

7.16

Defining of an NC solid substream

7.17

Specification of a cyclone unit operation block

7.18

Results of cyclone simulation

7.19

Separation efficiency curve of a cyclone

7.20

Scheme of dryer types available in APEA

8.1

Continuous ethyl acetate production process

8.2

Adiabatic dehydrogenation of ethylbenzene to styrene

8.3

Isothermal dehydrogenation of ethylbenzene to styrene

8.4

Standard approach in styrene separation

8.5

Monsanto approach in styrene separation

8.6

Vapor pressure of the styrene process components versus temperature

8.7

Ethylbenzene–styrene vapor–liquid phase equilibrium data at 5 kPa

8.8

Ethylbenzene–styrene isobaric vapor–liquid equilibrium data

8.9

Isobaric

x–y

diagram of ethylbenzene– styrene binary system

8.10

Effect of pressure on ethylbenzene to styrene relative volatility

8.11

Isobaric vapor liquid equilibrium data for the toluene–ethylbenzene binary system

8.12

Isobaric

x–y

diagram of the toluene– ethylbenzene binary system

8.13

Preliminary flow diagram of the ethyl acetate process

8.14

Options for continuing with stream specification

8.15

Defining a design specification in Aspen Plus

8.16

Defining a variable parameter in Aspen Plus

8.17

First stage of the styrene process flow diagram

8.18

Replacing of preliminary-defined streams by new streams

8.19

Flow diagram of the reaction part of the styrene process

8.20

Flow diagram of the separation part of the styrene process

9.1

Process flow diagram derived from a technological scheme

9.2

Simulation scheme obtained from a more complex PFD

9.3

Calculated and experimental equilibrium constant of propane to pentane versus pressure at 65.35 °C

9.4

Isobaric equilibrium data for

n

-butane/

n

-pentane at 2,068 kPa

9.5

Isothermal equilibrium data for the C3/C4 system at 53 °C

9.6

Switching between solver active and on hold modes in Aspen HYSYS

9.7

HYSYS flow diagram for the light gases separation process

9.8

Parameters of recycled and removed pentane streams

9.9

Results obtained for the heat exchangers used

9.10

Process flow diagram without column D215

9.11

Heat exchanger worksheets for the process without D215

10.1

Strategy for a material stream recycling

10.2

Convergence method and parameters in Aspen Plus

10.3

Ethyl acetate process with recycle loops

10.4

Design specification for acetic acid recycling

10.5

Connecting material recycle streams in Aspen HYSYS

10.6

Convergence parameters page of Aspen HYSYS

10.7

Styrene production process flowsheet with ethylbenzene recycling

10.8

Simplified flow diagram of vinyl acetate production

10.9

Defining a calculator block for acetic acid makeup

10.10

Calculator block for acetylene mole flow

10.11

Sensitivity block for split fraction optimization

10.12

Split fraction optimization results

10.13

Defining the optimization tool

10.14

Optimization results

10.15

Steam requirement calculation of distillation columns

10.16

Specification of a heater block

10.17

Simulation of a refrigeration cycle

10.18

Design specification for ammonia requirement

10.19