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This book offers a comprehensive coverage of process simulation and flowsheeting, useful for undergraduate students of Chemical Engineering and Process Engineering as theoretical and practical support in Process Design, Process Simulation, Process Engineering, Plant Design, and Process Control courses. The main concepts related to process simulation and application tools are presented and discussed in the framework of typical problems found in engineering design. The topics presented in the chapters are organized in an inductive way, starting from the more simplistic simulations up to some complex problems.

Process Analysis and Simulation in Chemical Engineering

Preface Chapter 1 Process Simulation in Chemical Engineering 1.1. Introduction 1.2. Chemical process simulators 1.3. Types of process simulators 1.3.1. Simultaneous or Equation oriented simulators 1.3.2. Hybrid simulators 1.3.3. Aspen Plus® and Aspen Hysys® 1.4. Applications of process simulation 1.4.1. Computer-aided design 1.4.2. Process optimization 1.4.3. Solution of operating problems 1.4.4. Other applications 1.5. Convergence Analysis 1.5.1. Convergence Methods (Babu, 2004 ; Dimian, 2003 ; Seider, Seader & Lewin, 2004) 1.5.2. Problems with simple recycles 1.5.3. Partitioning and topological analysis 1.5.4. Nested recycles 1.6. Introductory example 1.6.1. Problem description 1.6.2. Simulation using Aspen HYSYS® 1.6.3. Simulation using Aspen Plus® 1.7. Sensitivity Analysis 1.7.1. Sensitivity Analysis in Aspen Plus® 1.7.2. Sensitivity Analysis in Aspen HYSYS® 1.8. Design specifications 1.9. Summary 1.10. Problems Chapter 2 Thermodynamic and property models 2.1. Introduction 2.2. Ideal model 2.3. Equations of State 2.4. Activity coefficient models 2.5. Special Models 2.5.1. Polymeric systems 2.5.2. Electrolytic System 2.6. Integration of the activity models with equations of the state 2.7. Selection of thermodynamic model 2.8. Example of property model selection 2.9. Example of phase diagram 2.10. Example of parameter adjustment 2.11. Hypothetical components 2.11.1. Usage in Aspen HYSYS® 2.11.2. Usage in Aspen Plus® 2.12. Summary 2.13. Problems Chapter 3 Fluid Handling Equipment 3.1 Introduction 3.2 General Aspects 3.2.1 Background 3.2.2 Piping 3.2.3 Pumps 3.2.4 Compressors and Expanders 3.3 Modules available in Aspen Plus® 3.4 Modules available in Aspen HYSYS® 3.5 Gas Handling Introductory Example 3.5.1 Problem Description 3.5.2 Simulation in Aspen HYSYS® 3.5.3 Results Analysis 3.6 Liquid Handling Introductory Example 3.6.1 Problem Description 3.6.2 Process Simulation 3.6.3 Results Analysis 3.7 Summary 3.8 Problems Chapter 4 Heat Exchange Equipment and Heat Integration 4.1 Introduction 4.2 Types of Programs Available 4.3 General Aspects 4.3.1 Shortcut Calculation (Holman, 1999) 4.3.2 Rigorous Calculation (Holman, 1999) 4.3.3 Calculation models 4.4 Modules available in Aspen Plus® 4.5 Modules available in Aspen HYSYS® 4.5.1 Thermodynamic Heat Exchangers 4.6 Introductory Example 4.6.1 Problem Description 4.6.2 Simulation in Aspen Plus® 4.6.3 Simulation in Aspen HYSYS® 4.6.4 Simulation in Aspen HTFS® 4.6.5 Results Analysis 4.7 Process Heat Integration 4.7.1 Introduction 4.7.2 Theoretical principles 4.7.3 Aspen Energy Analyzer 4.8 Summary 4.9 Problems Chapter 5 Chemical reactors 5.1 Introduction 5.2 General Aspects 5.3. Equations for Reactor Design 5.4. Modules Available in Aspen Plus® 5.5. Available modules in ASPEN HYSYS® 5.6. Introductory example of Reactors 5.6.1. Problem Description 5.6.2. Simulation in Aspen Hysys® 5.6.3. Results Analysis 5.7. Propylene Glycol Reactor Example 5.7.1. General Aspects 5.7.2. Process Simulation in Aspen Plus® 5.7.3. Results Analysis 5.8. Methanol Reforming Reactor 5.8.1. Problem Description 5.8.2. Simulation in Aspen Plus® 5.8.3. Simulation in Aspen Hysys® 5.8.4. Analysis And Results Comparison 5.9. Summary 5.10. Problems Chapter 6 Gas-Liquid Separation Operations 6.1 Introduction 6.2 Available modules in Aspen Plus® 6.2.1 Shortcut Methods 6.2.2 Rigorous Methods 6.3 Modules available in Aspen Hysys® 6.3.1 Predefined Columns 6.3.2 Shortcut Calculation Model 6.3.3 Column Interface 6.4 Distillation Introductory Example 6.4.1 Problem Description 6.4.2 Simulation In Aspen Plus® 6.4.3 Simulation in Aspen Hysys® 6.4.4 Results Analysis and Comparison 6.5 Absorption Introductory Example 6.5.1 Problem Description 6.5.2 Process Simulation 6.6 Enhanced Distillation 6.6.1 Residue Curves Map (RCM) 6.6.2 Extractive Distillation 6.7 Non-Equilibrium Models 6.7.1 Non-Equilibrium Model Example 6.8 Columns Thermal And Hydraulic Analysis 6.8.1 Application Exercise 6.9 Summary 6.10 Problems Chapter 7 Process Optimization in Chemical Engineering 7.1. Introduction 7.2 Formulation of optimization problem 7.2.1. Degrees of Freedom 7.2.2. Objective Function 7.2.3. Classification of optimization problems 7.3. Optimization in Sequential Simulators 7.4. Introductory Example 7.4.1. Aspen Plus® Simulation 7.4.2. Sensitivity Analysis 7.4.3. Results 7.5. Summary 7.6. Problems Chapter 8 Dynamic Process Analysis 8.1. Introduction 8.2. General Aspects 8.2.1. Process control 8.2.2. Controllers 8.3. Introductory example 8.4. Gasoline blending 8.5. Pressure Relief Valves 8.5.1. General Aspects 8.5.2. Application example 8.6. Control of the propylene glycol reactor 8.7. Control of distillation columns 8.7.1. General aspects 8.7.2. Distillation column example 8.8. Summary 8.9. Problems Chapter 9 Solids Operations in Process Simulators 9.1 Introduction 9.2 General Aspects 9.2.1 Separation or classification 9.2.2 Comminution 9.2.3 Filtration 9.2.4 Crystallization 9.2.5 Particle Size Distribution Meshes (PSD) 9.3 Modules in Aspen Plus® 9.4 Modules in Aspen HYSYS® 9.5 Crusher Introductory Example 9.5.1 General Aspects 9.5.2 Simulation in Aspen Plus® 9.5.3 Results Analysis 9.6 Solids handling example 9.6.1 General Aspects 9.6.2 Simulation in Aspen Plus® 9.6.3 Results Analysis 9.7 Summary Chapter 10 Case Studies 10.1. Introduction 10.2. Simulation of Nylon 6,6 Resin Reactor 10.2.1. Problem Description 10.2.2. Polymerization reaction kinetics 10.2.3. Continuous Production 10.2.4. Batch Production 10.2.5. Results Comparison