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| 內容簡介： |
《Chemical Process Simulation》将研究生学术思维训练与过程模拟实践相结合，旨在提高研究生的科学认知与工程实践能力。本书利用GROMACS, Materials Studio, Aspen Plus, MATLAB等软件，从分子动力学、相平衡、稳态模拟及动态控制等方面，重点阐述化工过程模拟的绿色、节能与精密控制技术。本书共11章内容，第1章主要介绍汽液平衡和液液平衡实验数据的回归，第2章主要介绍离子液体相行为及其热力学性质的预测，离子液体在分离混合物方面的应用，第3～5章主要介绍过程强化与集成方面的实例，主要包括膜分离、热集成、热耦合、热泵隔壁塔精馏技术，第6～11章主要介绍了萃取精馏、变压精馏、间歇精馏及反应精馏等精馏过程的动态控制案例。
《Chemical Process Simulation》可作为高等院校化工等相关专业研究生的教学参考书，也可供从事化工过程开发与设计的工程技术人员参考。
《Chemical Process Simulation》将研究生学术思维训练与过程模拟实践相结合，旨在提高研究生的科学认知与工程实践能力。本书利用GROMACS, Materials Studio, Aspen Plus, MATLAB等软件，从分子动力学、相平衡、稳态模拟及动态控制等方面，重点阐述化工过程模拟的绿色、节能与精密控制技术。本书共11章内容，第1章主要介绍汽液平衡和液液平衡实验数据的回归，第2章主要介绍离子液体相行为及其热力学性质的预测，离子液体在分离混合物方面的应用，第3～5章主要介绍过程强化与集成方面的实例，主要包括膜分离、热集成、热耦合、热泵隔壁塔精馏技术，第6～11章主要介绍了萃取精馏、变压精馏、间歇精馏及反应精馏等精馏过程的动态控制案例。
《Chemical Process Simulation》可作为高等院校化工等相关专业研究生的教学参考书，也可供从事化工过程开发与设计的工程技术人员参考。
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| 目錄：
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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 -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 CompositionTemperature Cascade Connection 105
6.3.2 Control Structure with SF 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 QRF1 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 RF 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 RF 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
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| 內容試閱：
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Chemical process simulation refers to the chemical process data as the input value of the simulation calculation, using the process simulation software to simulate the actual production process, so as to obtain the parameters of the entire chemical process or unit operation process. The chemical process simulation does not involve any actual equipment, pipelines, and energy consumption. Only through the computer to the relevant basic equations of thermodynamics and the basic equations of the chemical unit process, the results which are close to the actual working conditions can be obtained. It is of great help to the analysis, design and transformation for the actual chemical process. It has been widely used in actual production. Aspen Plus is a very powerful process simulator for tools that model chemical processes, including chemical plants, pharmaceutical plants and refineries, which provides a relatively reliable reference for the simulation and optimization of industrial processes.
The content of this book is based on postgraduate academic thinking and engineering technology cases. Through the typical operation steps of the case and QR code video, readers can exercise the application skills of Aspen Plus software. This topic focuses on the combination of principle and practical application. It is the expansion and deepening of chemical thermodynamics and chemical engineering principles. It can be used as a teaching reference book for postgraduates majoring in chemical engineering and other related majors. It can also be used for engineering development and design of chemical processes. In view of the lack of ionic liquid related simulation and application in the current Aspen Plus books, this topic adds an explanation of ionic liquid simulation and application based on Aspen Plus, and supplys the latest distillation energy-saving separation technology and dynamic control case.
This book is based on the distillation operation in the chemical industry, combining with the actual simulation calculation case to give a detailed description, focusing on the application of green, energy-saving separation technology based on Aspen Plus. This book has 11 chapters in total. The first two chapters mainly introduce the phase behavior and thermodynamic properties of ionic liquid and the application of ionic liquid in the separation of mixtures. Chapter 3～5 mainly introduce the examples of energy-saving distillation technologies, including membrane separation, heat integration, thermal coupling and heat pump partition tower distillation technology. Chapter 6～11 mainly introduce the dynamic control cases of various distillation. The content of this book is comprehensive but easy to understand. Combined with actual production, this book is illustrated and the cases are operable.
Readers can send an email to yinglongw@126.com to get the sample questions and problem source files. By studying this book, readers can improve their understanding of cutting-edge separation technology and this book can provide guidance for practical engineering problems in chemical, petrochemical, oil refining, oil and gas fields, natural gas, fine chemicals and other related professions.
Due to the limited level of writers, this book may contain some errors, and readers are urged to criticize and correct.
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