化工过程模拟:绿色、节能与精密控制:green, energy saving and precise control

Chapter 1 Simulation of Vapor-liquid and Liquid-liquid Equilibrium for Binary/ Ternary Systems

1.1 Introduction / 1

1.2 Data Regression of Binary System / 1

1.3 Data Regression of Ternary System by NRTL / 8

1.4 Data Regression of Ternary System by UNIQUAC / 11

References / 13

　　

Chapter 2 Application of Green Solvents in Absorption and Extraction

2.1 Introduction / 14

2.2 Molecular Dynamics Simulation / 14

2.2.1 Generating GROMACS Supported Files / 15

2.2.2 Defining the Unit Box and Filling Solvent / 20

2.2.3 Energy Minimization / 22

2.2.4 NVT Balance / 24

2.2.5 NPT Balance / 26

2.2.6 Finishing MD / 27

2.2.7 Analysis / 28

2.3 Simulation of Extractive Distillation Using the Ionic Liquid / 30

2.3.1 Analysis of Correlation Model / 30

2.3.2 Definition of the Ionic Liquid in Aspen Plus / 32

2.4 Simulation of CO2 Absorption Using the Ionic Liquid / 37

2.4.1 Calculation of σ-profile Value / 38

2.4.2 Definition of the Ionic Liquid in Aspen Plus / 43

2.4.3 Simulation of CO2 Capture Using the Ionic Liquid / 44

2.5 Simulation of Extractive Distillation Using Deep Eutectic Solvents / 49

2.5.1 Definition of Deep Eutectic Solvents in Aspen Plus / 50

2.5.2 Process Simulation / 52

References / 54

　　

Chapter 3 Membrane Separation Process

3.1 Introduction / 56

3.2 Principle of Membrane Separation / 56

3.3 Separation of DMSO-water Using Membrane / 57

References / 64

　　

Chapter 4 Heat-integration and Thermally Coupled Distillation

4.1 Introduction / 65

4.2 Steady-state Simulation of THF-methanol System with Heat- integration / 66

4.2.1 Simulation without Heat-integration / 66

4.2.2 Simulation with Partial Heat-integration / 70

4.2.3 Simulation with Full Heat-integration / 73

4.3 Thermally Coupled Distillation Process / 76

4.4 Energy-saving Thermally Coupled Ternary Extractive Distillation Process / 78

References / 86

　　

Chapter 5 Heat Pump Distillation for Close-boiling Mixture

5.1 Introduction / 88

5.2 Main Forms of Heat Pump Distillation / 88

5.3 Heat Pump Distillation Process of Binary System Close-boiling Mixture / 90

References / 99

　　

Chapter 6 Energy-saving Side-stream Extractive Distillation Process

6.1 Introduction / 100

6.2 Steady-state Design of Side-stream Extractive Distillation / 100

6.3 Dynamic Control of Side-stream Extractive Distillation / 101

6.3.1 Control Structure with Side-stream Composition/Temperature Cascade Connection / 105

6.3.2 Control Structure with S/F and Composition Controller Connection / 105

6.3.3 Improved Dynamic Control Structure / 107

References / 112

　　

Chapter 7 Pressure-swing Distillation for Minimum-boiling Azeotropes

7.1 Introduction / 113

7.2 Converting from Steady-state to Dynamic Simulation / 113

7.3 Control Structures of the Process without Heat-integration / 116

7.3.1 Basic Control Structure / 116

7.3.2 QR/F1 Control Structure / 127

7.3.3 Control Structures of the Process with FullHeat-integration / 128

References / 130

　　

Chapter 8 Ternary Extractive Distillation System Using Mixed Entrainer

8.1 Introduction / 132

8.2 Converting from Steady-state to Dynamic Simulation / 132

8.3 Dynamic Control of Ternary Extractive Distillation Process Using Single Solvent / 135

8.3.1 Basic Control Structure / 135

8.3.2 Dual Temperature Control Structure / 140

8.3.3 Composition with Q R/F Control Structure / 142

8.4 Dynamic Control of Ternary Extractive Distillation Process Using Mixed Entrainer / 145

8.4.1 Basic Control Structure / 145

8.4.2 Composition with Q R/F Control Structure / 146

8.5 Comparisons of the Dynamic Performances of Two Processes / 148

References / 152

　　

Chapter 9 Hybrid Process Including Extraction and Distillation

9.1 Introduction / 153

9.2 Solvent Selection / 153

9.3 Simulation of the Extraction Combined with Distillation Process / 155

9.3.1 Extraction Combined with Heterogeneous Azeotropic Distillation Process (LEHAD) / 155

9.3.2 Extraction Combined with Extractive Distillation Process (LEED) / 160

9.4 Dynamic Simulation of Hybrid Extraction-distillation / 164

9.4.1 Selection of Temperature-sensitive Trays / 164

9.4.2 Dynamic Control of the LEHAD Process / 167

9.4.3 Dynamic Control of the LEED Process / 174

9.5 Energy-saving Hybrid Process with Mixed Solvent / 181

9.6 Dynamics of Hybrid Process with Mixed Solvent / 185

9.6.1 Selection of Temperature-sensitive Trays / 185

9.6.2 Control Structure with Fixed Reflux Ratio / 187

References / 190

　　

Chapter 10 Batch Distillation Integrated with Quasi-continuous Process

10.1 Introduction / 191

10.2 Feasibility of Pressure-swing Batch Distillation Based on the Ternary Residue Curve Maps / 191

10.3 Double Column Batch Stripper Process / 193

10.3.1 Design of Double Column Batch Stripper Process / 193

10.3.2 Control of Double Column Batch Stripper Process / 196

10.4 Triple Column Process / 201

10.4.1 Design of Triple Column Process / 201

10.4.2 Control of Triple Column Process / 202

References / 206

　　

Chapter 11 Simulation of Chemical Reaction Process Based on Reaction Kinetics

11.1 Introduction / 207

11.2 Continuously Stirred Tank Reactor / 208

11.3 Simulation of Cyclohexanone Ammoximation Process / 209

11.3.1 Steady-state Simulation of Cyclohexanone Ammoximation Process / 209

11.3.2 Dynamic Simulation of Cyclohexanone Ammoximation Process / 209

References / 225