Chemical Process Design and Simulation: Aspen Plus and Aspen Hysys Applications

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. 

Table of 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 Introduction to Computer-Aided Process Design and Simulation 3 1.1 Process Design 3 1.2 Process Chemistry Concept 4 1.3 Technology Concept 5 1.4 Data Collection 6 1.4.1 Material Properties Data 6 1.4.2 Phase Equilibrium Data 6 1.4.3 Reaction Equilibrium and Reaction Kinetic Data 6 1.5 Simulation of an Existing Process 6 1.6 Development of Process Flow Diagrams 7 1.7 Process Simulation Programs 7 1.7.1 SequentialModular versus Equation-Oriented Approach 9 1.7.2 Starting a Simulation with Aspen Plus 10 1.7.3 Starting a Simulation with Aspen HYSYS 11 1.8 Conventional versus Nonconventional Components 11 1.9 Process Integration and Energy Analysis 14 1.10 Process Economic Evaluation 14 References 14 2 General Procedure for Process Simulation 15 2.1 Component Selection 15 2.2 Property Methods and Phase Equilibrium 25 2.2.1 Physical Property Data Sources 25 2.2.2 Phase Equilibrium Models 27 2.2.3 Selection of a Property Method in Aspen Plus 31 2.2.4 Selection of a Property Package in Aspen HYSYS 35 2.2.5 Pure Component Property Analysis 36 2.2.6 Binary Analysis 38 2.2.7 Azeotrope Search and Analysis of Ternary Systems 44 2.2.8 PT Envelope Analysis 47 2.3 Chemistry and Reactions 48 2.4 Process Flow Diagrams 53 References 58 Part II Design and Simulation of Single Unit Operations 61 3 Heat Exchangers 63 3.1 Heater and Cooler Models 63 3.2 Simple Heat Exchanger Models 66 3.3 Simple Design and Rating of Heat Exchangers 69 3.4 Detailed Design and Simulation of Heat Exchangers 72 3.4.1 HYSYS Dynamic Rating 74 3.4.2 Rigorous Shell and Tube Heat Exchanger Design Using EDR 76 3.5 Selection and Costing of Heat Exchangers 77 References 82 4 Pressure Changing Equipment 85 4.1 Pumps, Hydraulic Turbines, and Valves 85 4.2 Compressors and Gas Turbines 88 4.3 Pressure Drop Calculations in Pipes 92 4.4 Selection and Costing of Pressure Changing Equipment 97 References 99 5 Reactors 101 5.1 Material and Enthalpy Balance of a Chemical Reactor 101 5.2 Stoichiometry and Yield Reactor Models 101 5.3 Chemical Equilibrium Reactor Models 106 5.3.1 REquil Model of Aspen Plus 108 5.3.2 Equilibrium Reactor Model of Aspen HYSYS 108 5.3.3 RGibbs Model of Aspen Plus and Gibbs Reactor Model of Aspen HYSYS 109 5.4 Kinetic Reactor Models 110 5.5 Selection and Costing of Chemical Reactors 122 References 124 6 Separation Equipment 125 6.1 Single Contact Phase Separation 125 6.2 Distillation Column 127 6.2.1 Shortcut DistillationMethod 128 6.2.2 Rigorous Methods 131 6.3 Azeotropic and Extractive Distillation 136 6.4 Reactive Distillation 141 6.5 Absorption and Desorption 145 6.6 Extraction 148 6.7 Selection and Costing of Separation Equipment 150 6.7.1 Distillation Equipment 150 6.7.2 Absorption Equipment 151 6.7.3 Extraction Equipment 152 References 153 7 Solid Handling 155 7.1 Dryer 155 7.2 Crystallizer 160 7.3 Filter 162 7.4 Cyclone 163 7.5 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 Analysis of Materials and Chemical Reactions 175 8.1.1 Ethyl Acetate Process 175 8.1.2 Styrene Process 176 8.2 Selection of Technology 176 8.2.1 Ethyl Acetate Process 176 8.2.2 Styrene Process 177 8.3 Data Analysis 180 8.3.1 Pure Component Property Analysis 180 8.3.2 Reaction Kinetic and Equilibrium Data 181 8.3.3 Phase Equilibrium Data 185 8.4 Starting Aspen Simulation 188 8.4.1 Ethyl Acetate Process 188 8.4.2 Styrene Process 188 8.5 Process Flow Diagram and Preliminary Simulation 188 8.5.1 Ethyl Acetate Process 188 8.5.2 Styrene Process 193 References 200 9 Process Simulation in an Existing Plant 203 9.1 Analysis of Process Scheme and Syntheses of a Simulation Scheme 203 9.2 Obtaining Input Data from the Records of Process Operation and Technological Documentation 205 9.3 Property Method Selection 206 9.4 Simulator Flow Diagram 207 9.5 Simulation Results 208 9.6 Results Evaluation and Comparison with Real-Data Recorded 208 9.7 Scenarios for Suggested Changes and Their Simulation 211 References 214 10 Material Integration 215 10.1 Material Recycling Strategy 215 10.2 Material Recycling in Aspen Plus 216 10.3 Material Recycling in Aspen HYSYS 219 10.4 Recycling Ratio Optimization 223 10.5 Steam Requirement Simulation 230 10.6 CoolingWater and Other Coolants Requirement Simulation 232 10.7 Gas Fuel Requirement Simulation 233 References 237 11 Energy Integration 239 11.1 Energy Recovery Simulation by Aspen Plus 239 11.2 Energy Recovery Simulation in Aspen HYSYS 242 11.3 Waste Stream Combustion Simulation 244 11.4 Heat Pump Simulation 250 11.5 Heat Exchanger Networks and Energy Analysis Tools in Aspen Software 253 References 261 12 Economic Evaluation 263 12.1 Estimation of Capital Costs 263 12.2 Estimation of Operating Costs 266 12.2.1 Raw Materials 267 12.2.2 Utilities 268 12.2.3 Operating Labor 269 12.2.4 Other Manufacturing Costs 270 12.2.5 General Expenses 270 12.3 Analysis of Profitability 270 12.4 Economic Evaluation Tools of Aspen Software 274 12.4.1 Economic Evaluation Button 274 12.4.2 Economics Active 275 12.4.3 Detailed Economic Evaluation by APEA 275 References 278 Exercises – Part III 279 Part IV Plant Design and Simulation: Nonconventional Components 283 13 Design and Simulation Using Pseudocomponents 285 13.1 Petroleum Assays and Blends 285 13.1.1 Petroleum Assay Characterization in Aspen HYSYS 286 13.1.2 Petroleum Assay Characterization in Aspen Plus 289 13.2 Primary Distillation of Crude Oil 294 13.3 Cracking and Hydrocracking Processes 307 13.3.1 Hydrocracking of Vacuum Residue 309 13.3.2 Modeling of an FCC Unit in Aspen HYSYS 315 References 319 14 Processes with Nonconventional Solids 321 14.1 Drying of Nonconventional Solids 321 14.2 Combustion of Solid Fuels 326 14.3 Coal, Biomass, and SolidWaste Gasification 329 14.3.1 Chemistry 329 14.3.2 Technology 332 14.3.3 Data 334 14.3.4 Simulation 334 14.4 Pyrolysis of Organic Solids and Bio-oil Upgrading 341 14.4.1 Component List 341 14.4.2 Property Models 342 14.4.3 Process Flow Diagram 342 14.4.4 Feed Stream 344 14.4.5 Pyrolysis Yields 344 14.4.6 Distillation Column 344 14.4.7 Results 344 References 346 15 Processes with Electrolytes 347 15.1 Acid Gas Removal by an Alkali Aqueous Solution 347 15.1.1 Chemistry 347 15.1.2 Property Methods 350 15.1.3 Process Flow Diagram 351 15.1.4 Simulation Results 353 15.2 Simulation of Sour Gas Removal by Aqueous Solution of Amines 355 15.3 Rate-Based Modeling of Absorbers with Electrolytes 361 References 365 16 Simulation of Polymer Production Processes 367 16.1 Overview of Modeling Polymerization Process in Aspen Plus 367 16.2 Component Characterization 368 16.3 Property Method 369 16.4 Reaction Kinetics 370 16.5 Process Flow Diagram 375 16.6 Results 379 References 383 Exercises – Part IV 384 Index 387