Chemical Process Design and Simulation PDF

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Chemical Process Design and Simulation 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, I...

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Chemical Process Design and Simulation

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. All rights reserved. No part of this publication may be reproduced, stored in a retrieval system, or transmitted, in any form or by any means, electronic, mechanical, photocopying, recording or otherwise, except as permitted by law. Advice on how to obtain permission to reuse material from this title is available at http://www.wiley.com/go/permissions. The right of Juma Haydary to be identified as the author of this work has been asserted in accordance with law. Registered Office John Wiley & Sons, Inc., 111 River Street, Hoboken, NJ 07030, USA Editorial Office 111 River Street, Hoboken, NJ 07030, USA For details of our global editorial offices, customer services, and more information about Wiley products visit us at www.wiley.com. Wiley also publishes its books in a variety of electronic formats and by print-on-demand. Some content that appears in standard print versions of this book may not be available in other formats. Limit of Liability/Disclaimer of Warranty In view of ongoing research, equipment modifications, changes in governmental regulations, and the constant flow of information relating to the use of experimental reagents, equipment, and devices, the reader is urged to review and evaluate the information provided in the package insert or instructions for each chemical, piece of equipment, reagent, or device for, among other things, any changes in the instructions or indication of usage and for added warnings and precautions. While the publisher and authors have used their best efforts in preparing this work, they make no representations or warranties with respect to the accuracy or completeness of the contents of this work and specifically disclaim all warranties, including without limitation any implied warranties of merchantability or fitness for a particular purpose. No warranty may be created or extended by sales representatives, written sales materials or promotional statements for this work. The fact that an organization, website, or product is referred to in this work as a citation and/or potential source of further information does not mean that the publisher and authors endorse the information or services the organization, website, or product may provide or recommendations it may make. This work is sold with the understanding that the publisher is not engaged in rendering professional services. The advice and strategies contained herein may not be suitable for your situation. You should consult with a specialist where appropriate. Further, readers should be aware that websites listed in this work may have changed or disappeared between when this work was written and when it is read. Neither the publisher nor authors shall be liable for any loss of profit or any other commercial damages, including but not limited to special, incidental, consequential, or other damages. Library of Congress Cataloging-in-Publication Data is available. Hardback ISBN: 9781119089117 Cover Design: Wiley Cover Image: © evryka/Shutterstock Set in 10/12pt WarnockPro by Aptara Inc., New Delhi, India 10 9 8 7 6 5 4 3 2 1

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

vii

Contents List of Tables xiii List of Figures xvii About the author xxv Preface xxvii Acknowledgments xxix Abbreviations xxxi Symbols xxxiii About the Companion Website xliii

Part I

Introduction to Design and Simulation

1

1.1 1.2 1.3 1.4 1.4.1 1.4.2 1.4.3 1.5 1.6 1.7 1.7.1 1.7.2 1.7.3 1.8 1.9 1.10

Introduction to Computer-Aided Process Design and Simulation 3 Process Design 3 Process Chemistry Concept 4 Technology Concept 5 Data Collection 6 Material Properties Data 6 Phase Equilibrium Data 6 Reaction Equilibrium and Reaction Kinetic Data 6 Simulation of an Existing Process 6 Development of Process Flow Diagrams 7 Process Simulation Programs 7 Sequential Modular versus Equation-Oriented Approach 9 Starting a Simulation with Aspen Plus 10 Starting a Simulation with Aspen HYSYS 11 Conventional versus Nonconventional Components 11 Process Integration and Energy Analysis 14 Process Economic Evaluation 14 References 14

2

General Procedure for Process Simulation

1

2.1 2.2 2.2.1 2.2.2 2.2.3 2.2.4 2.2.5 2.2.6 2.2.7 2.2.8

15 Component Selection 15 Property Methods and Phase Equilibrium 25 Physical Property Data Sources 25 Phase Equilibrium Models 27 Selection of a Property Method in Aspen Plus 31 Selection of a Property Package in Aspen HYSYS 35 Pure Component Property Analysis 36 Binary Analysis 38 Azeotrope Search and Analysis of Ternary Systems 44 PT Envelope Analysis 47

viii

Contents

2.3 2.4

Chemistry and Reactions 48 Process Flow Diagrams 53 References 58

Part II Design and Simulation of Single Unit Operations 3 3.1 3.2 3.3 3.4 3.4.1 3.4.2 3.5

61

Heat Exchangers 63

Heater and Cooler Models 63 Simple Heat Exchanger Models 66 Simple Design and Rating of Heat Exchangers 69 Detailed Design and Simulation of Heat Exchangers 72 HYSYS Dynamic Rating 74 Rigorous Shell and Tube Heat Exchanger Design Using EDR Selection and Costing of Heat Exchangers 77 References 82

4

Pressure Changing Equipment 85

4.1 4.2 4.3 4.4

Pumps, Hydraulic Turbines, and Valves 85 Compressors and Gas Turbines 88 Pressure Drop Calculations in Pipes 92 Selection and Costing of Pressure Changing Equipment References 99

5

Reactors

76

97

5.1 5.2 5.3 5.3.1 5.3.2 5.3.3 5.4 5.5

101 Material and Enthalpy Balance of a Chemical Reactor 101 Stoichiometry and Yield Reactor Models 101 Chemical Equilibrium Reactor Models 106 REquil Model of Aspen Plus 108 Equilibrium Reactor Model of Aspen HYSYS 108 RGibbs Model of Aspen Plus and Gibbs Reactor Model of Aspen HYSYS Kinetic Reactor Models 110 Selection and Costing of Chemical Reactors 122 References 124

6

Separation Equipment 125

6.1 6.2 6.2.1 6.2.2 6.3 6.4 6.5 6.6 6.7 6.7.1 6.7.2 6.7.3

Single Contact Phase Separation 125 Distillation Column 127 Shortcut Distillation Method 128 Rigorous Methods 131 Azeotropic and Extractive Distillation 136 Reactive Distillation 141 Absorption and Desorption 145 Extraction 148 Selection and Costing of Separation Equipment Distillation Equipment 150 Absorption Equipment 151 Extraction Equipment 152 References 153

7

Solid Handling

7.1 7.2 7.3

155 Dryer 155 Crystallizer 160 Filter 162

150

109

Contents

7.4 7.5

Cyclone 163 Selection and Costing of Solid Handling Equipment 166 References 167 Exercises – Part II

168

Part III Plant Design and Simulation: Conventional Components

173

8

Simple Concept Design of a New Process 175

8.1 8.1.1 8.1.2 8.2 8.2.1 8.2.2 8.3 8.3.1 8.3.2 8.3.3 8.4 8.4.1 8.4.2 8.5 8.5.1 8.5.2

Analysis of Materials and Chemical Reactions 175 Ethyl Acetate Process 175 Styrene Process 176 Selection of Technology 176 Ethyl Acetate Process 176 Styrene Process 177 Data Analysis 180 Pure Component Property Analysis 180 Reaction Kinetic and Equilibrium Data 181 Phase Equilibrium Data 185 Starting Aspen Simulation 188 Ethyl Acetate Process 188 Styrene Process 188 Process Flow Diagram and Preliminary Simulation 188 Ethyl Acetate Process 188 Styrene Process 193 References 200

9 9.1 9.2 9.3 9.4 9.5 9.6 9.7

Process Simulation in an Existing Plant 203 Analysis of Process Scheme and Syntheses of a Simulation Scheme 203 Obtaining Input Data from the Records of Process Operation and Technological Documentation 205 Property Method Selection 206 Simulator Flow Diagram 207 Simulation Results 208 Results Evaluation and Comparison with Real-Data Recorded 208 Scenarios for Suggested Changes and Their Simulation 211 References 214

10 10.1 10.2 10.3 10.4 10.5 10.6 10.7

Material Integration 215 Material Recycling Strategy 215 Material Recycling in Aspen Plus 216 Material Recycling in Aspen HYSYS 219 Recycling Ratio Optimization 223 Steam Requirement Simulation 230 Cooling Water and Other Coolants Requirement Simulation Gas Fuel Requirement Simulation 233 References 237

11

Energy Integration

11.1 11.2 11.3 11.4 11.5

232

239 Energy Recovery Simulation by Aspen Plus 239 Energy Recovery Simulation in Aspen HYSYS 242 Waste Stream Combustion Simulation 244 Heat Pump Simulation 250 Heat Exchanger Networks and Energy Analysis Tools in Aspen Software References 261

253

ix

x

Contents

12

12.1 12.2 12.2.1 12.2.2 12.2.3 12.2.4 12.2.5 12.3 12.4 12.4.1 12.4.2 12.4.3

263 Estimation of Capital Costs 263 Estimation of Operating Costs 266 Raw Materials 267 Utilities 268 Operating Labor 269 Other Manufacturing Costs 270 General Expenses 270 Analysis of Profitability 270 Economic Evaluation Tools of Aspen Software Economic Evaluation Button 274 Economics Active 275 Detailed Economic Evaluation by APEA 275 References 278

Economic Evaluation

Exercises – Part III

274

279

Part IV Plant Design and Simulation: Nonconventional Components

13.1 13.1.1 13.1.2 13.2 13.3 13.3.1 13.3.2

285 Petroleum Assays and Blends 285 Petroleum Assay Characterization in Aspen HYSYS 286 Petroleum Assay Characterization in Aspen Plus 289 Primary Distillation of Crude Oil 294 Cracking and Hydrocracking Processes 307 Hydrocracking of Vacuum Residue 309 Modeling of an FCC Unit in Aspen HYSYS 315 References 319

14

Processes with Nonconventional Solids

13

Design and Simulation Using Pseudocomponents

14.1 14.2 14.3 14.3.1 14.3.2 14.3.3 14.3.4 14.4 14.4.1 14.4.2 14.4.3 14.4.4 14.4.5 14.4.6 14.4.7

321 Drying of Nonconventional Solids 321 Combustion of Solid Fuels 326 Coal, Biomass, and Solid Waste Gasification 329 Chemistry 329 Technology 332 Data 334 Simulation 334 Pyrolysis of Organic Solids and Bio-oil Upgrading 341 Component List 341 Property Models 342 Process Flow Diagram 342 Feed Stream 344 Pyrolysis Yields 344 Distillation Column 344 Results 344 References 346

15 15.1 15.1.1 15.1.2 15.1.3 15.1.4

Processes with Electrolytes 347 Acid Gas Removal by an Alkali Aqueous Solution Chemistry 347 Property Methods 350 Process Flow Diagram 351 Simulation Results 353

347

283

Contents

15.2 15.3

Simulation of Sour Gas Removal by Aqueous Solution of Amines 355 Rate-Based Modeling of Absorbers with Electrolytes 361 References 365

16

Simulation of Polymer Production Processes 367

16.1 16.2 16.3 16.4 16.5 16.6

Overview of Modeling Polymerization Process in Aspen Plus Component Characterization 368 Property Method 369 Reaction Kinetics 370 Process Flow Diagram 375 Results 379 References 383 Exercises – Part IV Index 387

384

367

xi

xiii

List of Tables 1.1 2.1 2.2 2.3 2.4

2.5 2.6 2.7 3.1 3.2 3.3 4.1 4.2 4.3 4.4 4.5 4.6 5.1 6.1 6.2 6.3 6.4 6.5 6.6

List of most known process simulators 10 Some properties of ethyl acetate process components 18 ASPEN physical property databanks 26 Available submodels in Aspen Plus 27 Some cubic equations of state in the Aspen Physical Property System and Aspen HYSYS 28 Equation of state models 29 Azeotropes of ethyl acetate–ethanol– water mixture 45 Singular points of ethyl acetate–ethanol–water mixture 45 Tube side heat transfer coefficient correlations 73 Shell-side heat transfer coefficient correlations 73 Geometry of the heat exchanger used in Example 3.4 73 Pump performance curve data 86 Composition of natural gas used in Example 4.2 89 Correlations used for pipe pressure drop calculation in Aspen HYSYS 92 Operating range of some types of pumps 97 Design information mapped from the simulation 98 Results of compressor costing 99 Composition of reactants and products of the ethyl acetate process 114 Results of the HYSYS separator model 127 Results of the Aspen Plus FLASH3 model 128 Material and energy balance of the column 135 Conditions and compositions of material streams in extractive distillation 139 Results of azeotropic distillation 141 Results of reactive distillation simulation 144

6.7 6.8 6.9 6.10 7.1 7.2 7.3 7.4 7.5 7.6 8.1 8.2 8.3 8.4 8.5 8.6 8.7 8.8 8.9 8.10 8.11 8.12 9.1

Calculation of mole fractions from mass concentration 145 Results of the light gas absorption– desorption process 147 Results of design specification 150 Cost of the equipment 153 Drying curve data 156 Particle size distribution 156 Solubility of CuSO4 at different temperatures 161 Sensitivity analysis results: Effect of temperature 162 Material balance of filtration 163 Ash particle size distribution 164 Some properties of pure components of the ethyl acetate process 182 Some properties of pure components of the styrene process 184 Kinetic parameters of the ethyl acetate process from different sources 184 Activation energy of ethylbenzene catalytic dehydrogenation 185 Parameters of distillation columns 190 Stream results for the reactive distillation column 191 Stream results for the liquid–liquid phase separator 192 Stream results for the ethyl acetate purification column 192 Stream results for the acetic acid recovery column 192 Stream results for the aqueous phase distillation column 193 Results of the reaction part simulation of the styrene process 196 Results of the separation part simulation of the styrene process 199 Feed streams mass flows and compositions 205

xiv

List of Tables

9.2 9.3 9.4 9.5 9.6 9.7 9.8 10.1 10.2 10.3 10.4 10.5 10.6 10.7 11.1 11.2 11.3 11.4 11.5 11.6 11.7 12.1 12.2 12.3 12.4 12.5 12.6 12.7 12.8 12.9 12.10 12.11 12.12 12.13 12.14 12.15 12.16 12.17

Parameters of the columns 206 Geometry of heat exchangers 206 Material balance of columns 210 Process energy streams 211 Comparison of measured and simulated product composition 212 Comparison of scenarios with and without column D215 213 Comparison of energy streams 214 Material balance results for MIXER1 and MIXER2 220 Material balance results for the reactive distillation column (RD) 220 Material balance results for the LL phase separator (DEC) 221 Material balance results for the ethyl acetate purification column (C1) 221 Internal tolerances of Aspen HYSYS 223 Results of the styrene process after ethylbenzene recycling 224 Results of steam requirement calculation 232 Component list for n-heptane dehydrogenation process 240 Calculated process heat requirement 242 Material streams flow and conditions 243 Heat streams information 244 Stream conditions of the styrene process after energy recovery 247 Stream results of waste combustion in the styrene process 250 Purity of products, reboiler duty, and compressor power 253 Material balance of syngas compression 264 Material balance of the reaction section of the methanol process 266 Material balance of the distillation section of the methanol process 267 Parameters and costs of heat exchangers 268 Parameters and costs of pumps 268 Parameters and costs of compressors 268 Parameters and costs of distillation columns 269 Costs of vapor–liquid (VL) separators 269 Parameters and costs of the reactor 269 Purchased costs and total costs of equipment installed 269 Indirect capital costs 269 Total capital investment of the methanol process 270 Operating costs 271 Utility costs of the methanol process 272 Operating labor 272 Other manufacturing costs 272 General expenses 273

12.18 12.19 12.20 13.1 13.2 13.3 13.4 13.5 13.6 13.7 13.8 13.9 13.10 14.1 14.2 14.3 14.4 14.5 14.6 14.7 14.8 14.9 14.10 14.11 14.12 14.13 14.14 14.15 14.16 15.1 15.2 15.3 15.4 15.5 15.6 15.7 15.8 15.9

Total annual operating costs 273 Summary of the methanol process profitability analysis 273 Cash flow diagram data for the methanol process 274 TBP distillation data 290 Composition of end lights 291 Side stripers and pumparounds specifications 294 Stream results for the preflash column 297 Atmospheric column stream results 298 Experimentally measured distillation curves 301 Refinery reactor models of Aspen HYSYS 308 Kinetic parameters of VR hydrocracking 310 TBP distillation curves and API degrees of products 311 FCC feed properties 315 Component attributes in Aspen Plus 322 Types of stream classes in Aspen Plus 322 Characteristics of used biomass 322 Drying curve parameters of used biomass 323 Stream results for the biomass combustion process 330 Equilibrium constants of the main coal gasification reactions 334 A typical elemental composition of RDF and its components 334 Producer gas tar content 334 Component list for RDF gasification 335 Stream results of the RDF gasification process 338 Summary of RDF gasification process results under optimal conditions 341 Biomass and char attributes 341 Component list for biomass pyrolysis 342 Pseudocomponents defined in the biomass pyrolysis process 342 Product yields 342 Results of biomass pyrolysis process 344 Electrolyte pair parameters in HCl removal from the vinyl chloride stream 352 Inlet stream specification 353 Stream results for HCl removal in the vinyl chloride process 354 Component list for amine cleaning of syngas 357 Reaction scheme of the amine process for syngas cleaning 358 Inlet stream specification data 358 Results for HCl scrubber (ABS-1) 359 Results for amine absorber (ABS-2) 359 Results for regeneration column (DC-1) 360

List of Tables

15.10 15.11 15.12

Calculated HETP 363 Stream results of rate-based calculation of an HCl scrubber 364 Effect of packing type and size on HCl removal 365

16.1 16.2 16.3

Summary of Aspen polymer property methods 372 Stream results of styrene polymerization 379 Conversion and polymer properties results 380

xv

xvii

List of Figures 1.1 1.2 1.3 1.4 1.5 1.6 1.7 1.8 1.9 1.10 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9 2.10 2.11 2.12 2.13 2.14 2.15 2.16 2.17 2.18 2.19

Hierarchy levels for chemical engineering design 4 Main steps of a chemical plant design 4 Simplified PFD for the vinyl acetate production process design 7 More complex PFD for vinyl acetate production 8 Structure of a process simulator 9 Open a new Aspen Plus simulation 11 Selection of the simulation type 12 Aspen Plus properties environment 12 Open a new Aspen HYSYS simulation 13 Aspen HYSYS properties environment 13 Component list of the ethyl acetate process 16 Aspen Plus component search engine 16 Rename the component 17 Scalar parameters of pure components 17 Creation of a component list in Aspen HYSYS 18 Component properties page in Aspen HYSYS 19 Creation of a hypo component 19 Creation a set of hypo components 20 Chemical structure of dibenzo (a.h) anthracene 20 Molecular structure page 20 Molecular structure drawing tool 21 Molecular structure and bond calculation page 21 Pure component parameter estimation page 22 Results of component parameters estimation 22 Selection of component type 23 Entering known parameters of a pseudocomponent 23 Review of unknown parameters 24 Calculated unknown parameters 24 Comparison of isobaric t–x,y diagram of n-heptane/toluene binary mixture 30

2.20 2.21 2.22 2.23 2.24 2.25 2.26 2.27 2.28 2.29 2.30 2.31 2.32 2.33 2.34

2.35 2.36

2.37 2.38 2.39 2.40 2.41 2.42
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