| Introduction | p. xiii |
| Fundamental Principles and Process Model Development | |
| The Role of Models in Process Systems Engineering | |
| The Idea of a Model | p. 4 |
| Model Application Areas in PSE | p. 7 |
| Model Classification | p. 10 |
| Model Characteristics | p. 12 |
| A Brief Historical Review of Modelling in PSE | p. 13 |
| Summary | p. 17 |
| Review Questions | p. 17 |
| Application Exercises | p. 17 |
| A Systematic Approach to Model Building | |
| The Process System and the Modelling Goal | p. 20 |
| Mathematical Models | p. 22 |
| A Systematic Modelling Procedure | p. 24 |
| Ingredients of Process Models | p. 32 |
| Summary | p. 36 |
| Review Questions | p. 36 |
| Application Exercises | p. 37 |
| Conservation Principles | |
| Thermodynamic Principles of Process Systems | p. 42 |
| Principle of Conservation | p. 51 |
| Balance Volumes in Process System Applications | p. 58 |
| Summary | p. 61 |
| Review Questions | p. 62 |
| Application Exercises | p. 62 |
| Constitutive Relations | |
| Transfer Rate Equations | p. 65 |
| Reaction Kinetics | p. 70 |
| Thermodynamical Relations | p. 72 |
| Balance Volume Relations | p. 75 |
| Equipment and Control Relations | p. 75 |
| Summary | p. 79 |
| Review Questions | p. 79 |
| Application Exercises | p. 80 |
| Dynamic Models--Lumped Parameter Systems | |
| Characterizing Models and Model Equation Sets | p. 83 |
| Lumped Parameter Models--Initial Value Problems (IVPs) | p. 84 |
| Conservation Balances for Mass | p. 86 |
| Conservation Balances for Energy | p. 89 |
| Conservation Balances for Momentum | p. 95 |
| The Set of Conservation Balances for Lumped Systems | p. 98 |
| Conservation Balances in Intensive Variable Form | p. 99 |
| Dimensionless Variables | p. 101 |
| Normalization of Balance Equations | p. 102 |
| Steady-State Lumped Parameter Systems | p. 103 |
| Analysis of Lumped Parameter Models | p. 104 |
| Stability of the Mathematical Problem | p. 114 |
| Summary | p. 117 |
| Review Questions | p. 118 |
| Application Exercises | p. 118 |
| Solution Strategies for Lumped Parameter Models | |
| Process Engineering Example Problems | p. 124 |
| Ordinary Differential Equations | p. 125 |
| Basic Concepts in Numerical Methods | p. 126 |
| Local Truncation Error and Stability | p. 129 |
| Stability of the Numerical Method | p. 133 |
| Key Numerical Methods | p. 137 |
| Differential-Algebraic Equation Solution Techniques | p. 149 |
| Summary | p. 155 |
| Review Questions | p. 156 |
| Application Exercises | p. 156 |
| Dynamic Models--Distributed Parameter Systems | |
| Development of DPS Models | p. 163 |
| Examples of Distributed Parameter Modelling | p. 174 |
| Classification of DPS Models | p. 182 |
| Lumped Parameter Models for Representing DPSs | p. 185 |
| Summary | p. 186 |
| Review Questions | p. 187 |
| Application Exercises | p. 187 |
| Solution Strategies for Distributed Parameter Models | |
| Areas of Interest | p. 191 |
| Finite Difference Methods | p. 192 |
| Method of Lines | p. 201 |
| Method of Weighted Residuals | p. 203 |
| Orthogonal Collocation | p. 206 |
| Orthogonal Collocation for Partial Differential Equations | p. 216 |
| Summary | p. 218 |
| Review Questions | p. 218 |
| Application Exercises | p. 219 |
| Process Model Hierarchies | |
| Hierarchy Driven by the Level of Detail | p. 225 |
| Hierarchy Driven by Characteristic Sizes | p. 233 |
| Hierarchy Driven by Characteristic Times | p. 239 |
| Summary | p. 245 |
| Further Reading | p. 246 |
| Review Questions | p. 246 |
| Application Exercises | p. 246 |
| Advanced Process Modelling and Model Analysis | |
| Basic Tools for Process Model Analysis | |
| Problem Statements and Solutions | p. 251 |
| Basic Notions in Systems and Control Theory | p. 253 |
| Lumped Dynamic Models as Dynamic System Models | p. 264 |
| State Space Models and Model Linearization | p. 269 |
| Structural Graphs of Lumped Dynamic Models | p. 277 |
| Summary | p. 281 |
| Review Questions | p. 281 |
| Application Exercises | p. 282 |
| Data Acquisition and Analysis | |
| Sampling of Continuous Time Dynamic Models | p. 286 |
| Data Screening | p. 289 |
| Experiment Design for Parameter Estimation of Static Models | p. 294 |
| Experiment Design for Parameter Estimation of Dynamic Models | p. 295 |
| Summary | p. 296 |
| Further Reading | p. 296 |
| Review Questions | p. 296 |
| Application Exercises | p. 297 |
| Statistical Model Calibration and Validation | |
| Grey-Box Models and Model Calibration | p. 300 |
| Model Parameter and Structure Estimation | p. 302 |
| Model Parameter Estimation for Static Models | p. 314 |
| Identification: Model Parameter and Structure Estimation of Dynamic Models | p. 318 |
| CSTR: A Case Study of Model Parameter Estimation | p. 323 |
| Statistical Model Validation via Parameter Estimation | p. 330 |
| Summary | p. 331 |
| Further Reading | p. 331 |
| Review Questions | p. 331 |
| Application Exercises | p. 332 |
| Analysis of Dynamic Process Models | |
| Analysis of Basic Dynamical Properties | p. 336 |
| Analysis of Structural Dynamical Properties | p. 341 |
| Model Simplification and Reduction | p. 350 |
| Summary | p. 359 |
| Further Reading | p. 359 |
| Review Questions | p. 360 |
| Application Exercises | p. 361 |
| Process Modelling for Control and Diagnostic Purposes | |
| Model-Based Process Control | p. 364 |
| Model-Based Process Diagnosis | p. 370 |
| Qualitative, Logical and AI Models | p. 372 |
| Summary | p. 384 |
| Further Reading | p. 384 |
| Review Questions | p. 385 |
| Application Exercises | p. 385 |
| Modelling Discrete Event Systems | |
| Characteristics and Issues | p. 388 |
| Approaches to Model Representation | p. 388 |
| Solution of Discrete Event Dynamic System Models | p. 404 |
| Analysis of Discrete Event Systems | p. 408 |
| Summary | p. 410 |
| Further Reading | p. 411 |
| Review Questions | p. 412 |
| Application Exercises | p. 412 |
| Modelling Hybrid Systems | |
| Hybrid Systems Basics | p. 415 |
| Approaches to Model Representation | p. 420 |
| Analysis of Hybrid Systems | p. 430 |
| Solution of Hybrid System Models | p. 431 |
| Summary | p. 434 |
| Further Reading | p. 434 |
| Review Questions | p. 435 |
| Application Exercises | p. 436 |
| Modelling Applications in Process Systems | |
| Copper Converter Dynamics | p. 438 |
| Destruction of Phenol in Wastewater by Photochemical Reaction | p. 445 |
| Prefermenter System for Wastewater Treatment | p. 451 |
| Granulation Circuit Modelling | p. 456 |
| Industrial Depropanizer using Structural Packing | p. 462 |
| Summary | p. 469 |
| Computer Aided Process Modelling | |
| Introduction | p. 472 |
| Industrial Demands on Computer Aided Modelling Tools | p. 472 |
| Basic Issues in CAPM Tools | p. 474 |
| Approaches to CAPM Tool Development | p. 483 |
| Summary | p. 492 |
| Empirical Model Building | |
| Introduction | p. 493 |
| The Modelling Procedure Revisited | p. 494 |
| Black-Box Modelling | p. 497 |
| Traps and Pitfalls in Empirical Model Building | p. 511 |
| Summary | p. 515 |
| Further Reading | p. 515 |
| Review Questions | p. 516 |
| Application Exercises | p. 516 |
| Basic Mathematic Tools | p. 517 |
| Random Variables and Their Properties | p. 517 |
| Hypothesis Testing | p. 521 |
| Vector and Signal Norms | p. 522 |
| Matrix and Operator Norms | p. 523 |
| Graphs | p. 524 |
| Bibliography | p. 527 |
| Index | p. 535 |
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