描述
开 本: 16开纸 张: 胶版纸包 装: 平装-胶订是否套装: 否国际标准书号ISBN: 9787122357243
《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。
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
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 [email protected] 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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