Preface vii

An Introduction for Students ix

1. Getting Started with Aspen Plus^® 1

Problems 9

2. Two Simple Simulations 10

Problems 34

3. Pure Component Property Analysis 36

Problems 55

4. The NIST ThermoData Engine (TDE) 56

Problems 64

5. Vapor–Liquid Equilibrium Calculations Using Activity Coefficient Models 66

5.1 Property Analysis Method 69

5.2 The Simulation Method 80

5.3 Regression of Binary VLE Data with Activity Coefficient Models 89

Problems 115

6. Vapor–Liquid Equilibrium Calculations Using an Equation of State 119

6.1 The Property Analysis Method 120

6.2 The Simulation Method 122

6.3 Regression of Binary VLE Data with an Equation of State 129

Problems 142

7. Regression of Liquid–Liquid Equilibrium (LLE) Data and Vapor–Liquid–Liquid Equilibrium (VLLE) and Predictions 144

7.1 Liquid–Liquid Data Regression 144

7.2 The Prediction of Liquid–Liquid and Vapor–Liquid–Liquid Equilibrium 158

7.3 High Pressure Vapor–Liquid–Liquid Equilibrium 167

Problems 173

8. The Property Methods Assistant and Property Estimation 175

8.1 The Property Methods Assistant 175

8.2 Property Estimation 182

8.3 Regressing Infinite Dilution Activity Coefficient Data 188

Problems 201

9. Chemical Reaction Equilibrium in Aspen Plus^® 203

Problems 229

10. Shortcut Distillation Calculations 233

Problems 250

11. A Rigorous Distillation Calculation: RadFrac 252

Problems 271

12. Liquid–Liquid Extraction 272

Problems 286

13. Sensitivity Analysis: A Tool for Repetitive Calculations 287

Problems 304

14. Electrolyte Solutions 305

Problems 337

Index 339

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