# MATLAB Applications in Chemical Engineering (Revised Edition)

- 統一編號GPN：1010901946
- 出版日期：2020/12
- 作/編/譯者：Chyi-Tsong Chen
- 語言：英文
- 頁數：520
- 裝訂：平裝

- ISBN／ISSN：9789869787239
- 出版單位：國立金門大學
- 開數：16開
- 版次：初版
- 價格：定價$650

This book, which completely covers the basic functions of MTALAB and is an extensive collection of chemical engineering problems, enables learners to deepen their fundamental knowledge as well as problem-solving skills on process analysis, design and simulation.

目次Table of Contents

Chapter 1: Solution of a System of Linear Equations 1

1.1Properties of linear equation systems and the relevant MATLAB commands 1

1.1.1A simple example: the liquid blending problem 1

1.1.2Relevant properties of linear equation systems 3

1.1.3Relevant MATLAB commands 5

1.2Chemical engineering examples 10

Example 1-2-1Composition analysis of a distillation column system 10

Example 1-2-2Temperature analysis of an insulated stainless steel pipeline 14

Example 1-2-3Composition analysis of a set of CSTRs 18

Example 1-2-4 Independent reactions in a reaction system 21

Example 1-2-5Composition distributions in a distillation column 24

Example 1-2-6Steady-state analysis of a batch reaction system 36

1.3 Exercises 43

1.4 Summary of the MATLAB commands related to this chapter 48

Chapter 2: Solution of Nonlinear Equations 51

2.1Relevant MATLAB commands and the Simulink solution interface 51

2.1.1Nonlinear equation of a single variable 51

2.1.2Solution of a system of nonlinear equations 61

2.2Chemical engineering examples 70

Example 2-2-1Boiling point of an ideal solution 70

Example 2-2-2Equilibrium concentrations in a reaction system 74

Example 2-2-3Analysis of a pipeline network 78

Example 2-2-4A material drying process through heat conduction and forced convection 82

Example 2-2-5Simulation of a multistage binary distillation 86

Example 2-2-6Analysis of a set of three CSTRs in series 100

2.3Exercises 103

2.4Summary of MATLAB commands related to this chapter 122

Chapter 3: Interpolation, Differentiation, and Integration 125

3.1Interpolation commands in MATLAB 125

3.1.1 One-dimensional interpolation 125

3.1.2 Two-dimensional interpolation 129

3.2Numerical differentiation 131

3.2.1The application of the MATLAB diff command in numerical differentiation 132

3.2.2 Polynomial fitting and its application to the calculation of derivatives of a data set 134

3.2.3Higher-order derivatives of a data set 135

3.2.4 The derivatives calculation of a known function 146

3.2.5 A method for calculating numerical gradients 151

3.3Numerical integration 153

3.3.1Integral of numerical data 153

3.3.2Integral of a known function 154

3.3.3Double integral 156

3.4 Chemical engineering examples 157

Example 3-4-1 Preparation of a water solution with a required viscosity 157

Example 3-4-2 Interpolation of diffusivity coefficients 159

Example 3-4-3 Reaction rate equation of a batch reactor 161

Example 3-4-4 Volume fraction of solid particles in a gas-solid fluidized bed 167

Example 3-4-5 Average residence time calculation based on a tracer response 170

Example 3-4-6 Design of an absorption tower 173

Example 3-4-7 Reaction time of an adiabatic batch reactor 176

Example 3-4-8 Breakthrough time determination for an absorption tower 179

3.5 Exercises 183

3.6 Summary of the MATLAB commands related to this chapter 195

Chapter 4: Numerical Solution of Ordinary Differential

Equations 197

4.1Initial value problems for ordinary differential equations 197

4.1.1The standard problems 197

4.1.2The MATLAB ODE solvers 198

4.1.3Solving ODEs with MATLAB Simulink 205

4.1.4The DEE solution interface 218

4.2Higher-order ordinary differential equations 222

4.3Stiff differential equations 227

4.4Differential-algebraic equation system 232

4.5Boundary-valued ordinary differential equations 236

4.5.1 Problem patterns 236

4.5.2 MATLAB commands for solving two-point boundary value problems 238

4.5.3 Multipoint BVP 248

4.6Chemical engineering examples 254

Example 4-6-1 Temperature and conversion distributions in a catalyzed tubular reactor 254

Example 4-6-2 Temperature and conversion distribution in a plug-flow reactor 260

Example 4-6-3Biochemical process dynamics in a batch reactor 265

Example 4-6-4 Temperature distribution on a flat panel with heat conduction and radiation

268

Example 4-6-5 Flow dynamics of a non-Newtonian fluid 271

Example 4-6-6 Optimal operation temperature for penicillin fermentation 277

4.7Exercises 285

4.8Summary of the MATLAB commands related to this chapter 308

Chapter 5: Numerical Solution of Partial Differential Equations

311

5.1Classifications of PDEs 311

5.1.1 The order of a PDE 311

5.1.2 Nonlinearity of a PDE 312

5.1.3 Categories of initial conditions and boundary conditions 313

5.2 The MATLAB PDE toolbox 316

5.2.1 The MATLAB PDE solver 316

5.2.2 The PDE graphical interface toolbox 331

5.2.2.1The solvable PDE problem patterns 333

5.2.2.2Solution of PDE problems with the pdetool interface 335

5.3Chemical engineering examples 341

Example 5-3-1 Temperature and reaction rate distributions in a catalyzed reactor 341

Example 5-3-2 Concentration distribution in a diffusive reaction system 350

Example 5-3-3 Rapid cooling of a hot solid object 358

Example 5-3-4 Two-dimensional heat transfer 362

Example 5-3-5 The permeation of gaseous solute into a liquid film 373

Example 5-3-6 Concentration distribution of ethanol in a tube 378

Example 5-3-7 Heat conduction of a long rod 380

Example 5-3-8 Unsteady-state heat conduction in a flat panel 384

5.4Exercises 388

5.5Summary of the MATLAB commands related to this chapter 397

Chapter 6: Process Optimization 399

6.1The optimization problem and the relevant MATLAB commands 399

6.1.1Optimization problems of a single decision variable 399

6.1.2Multivariate optimization problems without constraints 401

6.1.3Linear programming problems 404

6.1.4 Quadratic programming problem 406

6.1.5The constrained nonlinear optimization problems 409

6.1.6The multi-objective goal attainment problem 413

6.1.7Semi-infinitely constrained optimization problem 418

6.1.8 The minimax problem 426

6.1.9 Binary integer programming problem 430

6.1.10A real-coded genetic algorithm for optimization 432

6.1.10.1Fundamental principles of the real-coded genetic algorithm 432

6.1.10.2Application of the real-coded genetic algorithm to solve optimization problems 436

6.2 Chemical engineering examples 448

Example 6-2-1 Maximizing the profit of a production system 448

Example 6-2-2 The optimal photoresist film thickness in a wafer production process 452

Example 6-2-3 Minimal energy of a chemical equilibrium system 453

Example 6-2-4 Maximal profit of an alkylation process 456

Example 6-2-5 Maximum separation efficiency in a single-effect distillatory 463

Example 6-2-6 Dynamic optimization of an ammonia synthesis process 467

Example 6-2-7 Optimal operating temperature for a tubular reactor 474

6.3Exercises 481

6.4Summary of the MATLAB commands related to this chapter 501

Chapter 7: Parameter Estimation 503

7.1Parameter estimation using the least-squares method 503

7.1.1Linear least-squares method 503

7.1.2 Nonlinear least-squares methods 510

7.1.3 The confidence interval of parameter estimation 514

7.2 Chemical engineering examples 517

Example 7-2-1 The solubility model of sulfur dioxide 517

Example 7-2-2 The rate equation of a catalyzed reaction system 520

Example 7-2-3 Isothermal adsorption model for activated carbon 524

Example 7-2-4 Transfer function of a heating process 527

Example 7-2-5 Estimation of the reaction rate constants for a fermentation process 530

Example 7-2-6 Parameter estimation for a packed bed reactor described by a partial differential equation model 536

Example 7-2-7 Parameter estimation using D-optimal experimental design method 545

7.3 Exercises 549

7.4 Summary of the MATLAB commands related to this chapter 560

References 563

Index 569

Author Biography

Chyi-Tsong Chen (陳奇中) , Ph.D.

Distinguished Professor of Center for General Education, National Quemoy University.

Prof. Chen received the B.E. and Ph.D. degrees from National Cheng Kung University, Taiwan, R.O.C., in 1985 and 1990, respectively, all in Chemical Engineering.

After two-year military service, he joined in the Department of Chemical Engineering, Feng Chia University in 1992 titled as the Associate Professor. In 1997, he promoted to Professor at the same university. Dr. Chen used to be the Director of Chemical Engineering Department (2001/8-2003/7), Associate Dean of College of Engineering (2003/8-2005/7), Dean of the College of Continuing Education (2005/8-2007/7), and Dean of FCU Extension (2007/8-2009/7).

About academic activities and services, he is a member of the Society of Chemical Engineers and the honorary member of the Society of the Phi Tau Phi, Taiwan and served as the Associate Editor for the Journal of Taiwan Institute of Chemical Engineers (2012-2015).

During his professional career, he used to be a Visiting Professor at the Department of Chemical Engineering, University of California, Santa Barbara (2000/1-8) and a Visiting Scholar at Massachusetts Institute of Technology, USA (2010/8-2011/7). His research interests include nonlinear process control, intelligent techniques and applications, process design and optimization. He has over one hundred and fifty publications in journal articles, refereed proceedings and technical reports in the field of process system engineering. Dr. Chen received several Research Awards from both the Feng Chia University (1993-2010) and National Science Council of Taiwan (1997-2000). He also won the Best Educational Website Award from the Society of Taiwan Institute of Chemical Engineers (TWIChE) in 1999, the Best Teacher Award of Feng Chia University in 2006, and the Best Poster Paper Award of TWIChE Annual Meeting three times, respectively, in 2009, 2011 and 2013. Since 2014, he transferred to National Quemoy University and served as the position of Vice President. He is also named the Head of the Center for General Education and Dean of Wu-Zhou College, aiming at cultivating students’ soft skills.

Preface Chemical engineering and computational science Chemical engineering is an important discipline which contains a vast of basic knowledge including unit operation, transport phenomena, thermodynamics, chemical reaction engineering, process control and design, and so on. To accumulate the capability for the analysis and design of chemical processes, in addition to a thorough understanding of each element of these basics, it is always necessary to perform deductions and calculations based on practical problems. However, a chemical process often involves diversified operational units or may even be accompanied by complex dynamic behaviors that are coupled with mass transfer, flow dynamics, heat transfer, chemical reactions, etc. As a consequence, the design and analysis of such a complicated process are hard to be completed by means of manual computation unless some assumptions and simplifications are made properly. Though facilitating to obtain problem solutions, excessive assumptions and simplifications would prohibit a more comprehensive understanding and more detailed observation of the entire process. On the other hand, a chemical process may inevitably involve nonlinear dynamics, and it would be more difficult to solve problems without proper numerical solution techniques. In light of the above, to learn and apply the basic knowledge and overcome the difficulty of dealing with nonlinear dynamic behaviors, the proper use of a software kit and relevant software technologies in problem solving is the major trend in the fields of chemical analysis and design, manufacturing process development, process optimization and control, etc. MATLAB and Chemical Engineering calculations Recently, a few pieces of commercial purpose software have been used to deal with the problem of simulations and calculations of chemical processes, such as Aspen Plus, Hysys, ChemCAD, Design II and Pro//II, etc., and these modularized simulation tools are very apt for the design and analysis of large chemical plants and processes. However, users can hardly use them flexibly due to the fact that it is necessary to use the built-in modules under certain circumstances, and the users are restricted to use the pre-set functions only. Meanwhile, users who are not aware of the internal functions in these modules and their restrictions will become more confused, thus making the use of such modular software more inconvenient. On the other hand, if we hope to only simulate the design of certain reactors and unit processes, a customary modeling for analysis and computation is often required to save development time and costs. Therefore, a flexible, easy to use and open computation environment is needed in practice to provide more adaptable and extensive engineering application and learning. After comprehensively reviewing the development of computational software, MATLAB, a software kit with unique advantages, is being widely accepted and used in the computational field worldwide because MATLAB is simple to learn, includes graphical, visualized and symbolic computation functions, and can be integrated and used in other programming languages such as Fortan, C++, etc. Particularly, some useful toolboxes, such as optimization method, partial differentiation, statistical analysis, and analysis and construction of control system, are very advantageous for application in chemical process design and analysis. MATLAB also encompasses some built-in function library programs, is directly available for finding solutions, is highly efficient, and includes stable algorithms, the accuracy of which can be adjusted by users themselves, making it a very convenient tool. Furthermore, it also offers a graphical dynamic simulation tool, Simulink, which is helpful in establishing the dynamic mode of chemical processes, the integration of manufacturing processes and analysis of process design. So far, many books addressing the process simulation, dynamic analysis and control in relevant fields of chemical engineering by means of MATLAB language and tools have been emerging; and such books can be briefly summarized as follows in terms of their application fields or direction: books on process simulation and engineering calculation (Ramirez, 1997; Bequette, 1998; Constantinides and Mostoufi, 1999; Cutlip and Shacham, 1999; Huang, 2004; Finlayson, 2006; Beers, 2007; Elnashaie et. al., 2007; Kapuno); those on data analysis and disposal (Brereton, 2003; Maeder and Neuhold, 2007), fluid dynamics (Wilkes, 1999), reaction engineering (Fogler, 1999), absorption equilibrium and dynamics analysis (Do, 1998), transport phenomenon (Thomson, 2000), mass transfer operations (Benitez, 2002), biochemical engineering (Sandler, 2006; Elnashaie et. al., 2007) and those on process analysis and control system design (Doyle III, 2000; Chau, 2002; Brosilow and Joseph, 2002; Bequette, 2003; Seborg et. al., 2004; Roffel and Beltern, 2007; Coughanowr and LeBlanc, 2009), etc. Readers may review such books depending upon their interests and application direction. Features of the book and chapter arrangement This book is based on MATLAB program environment and addresses problems on chemical process analysis, design and optimization through its function library, relevant tool boxes and instructions in combination with some self-determined functions. This book also integrates the use of Simulink for dynamic simulation and systematic analysis of chemical processes, which is seldom discussed in published papers. This book is arranged on the basis of the nature of problems and divided into a total of seven chapters, which are Chapter one: Solutions of Linear Simultaneous Equations, Chapter two: Solutions of Non-linear equations, Chapter three: Calculations of interpolations, differentiation and integration, Chapter four: Solutions of Ordinary Differential Equations, Chapter five: Solutions of Partial Differential Equations, Chapter Six: Process optimization and Chapter seven: Parameter Estimation, respectively. Each chapter is arranged in the sequence of description of basic question patterns, chemical engineering samples, exercises and summary of MATLAB instructions. The chemical engineering examples include the description of problems, analysis of questions, MATLAB program design, execution results and discussion, so that students can first become aware of the basic problem patterns and the relevant chemical engineering principles involved, then further familiarize themselves with the relevant instructions and program design methods to enhance training on their program design and logic capabilities. Exercises are also provided to facilitate their self-study process and refine their problem-solving skills; it is expected to deepen their fundamental knowledge on chemical engineering and learning, render them familiar with chemical unit and process design, analysis, optimization and relevant application problems. How to use this book This book completely covers the basic functions of MTALAB and is an extensive collection of problems related to chemical process analysis, design and simulation. The book includes rich and detailed chapters and may be used by undergraduates and graduates as a textbook in courses related to the application of MATLAB in chemical engineering and process simulation. Furthermore, this book is also believed to be helpful to some extent for technicians and researchers engaged in the study of chemical process design, analysis and optimization. This book is prepared for and aims at those who have gained a preliminary understanding of MATLAB programming language; therefore, if you are a MATLAB beginner, it is recommended to first become familiar with the MATLAB grammar and calculation environment, then progressively study each chapter to deepen your knowledge on problems related to chemical process study, discussion and application and polish your problem-solving skills. Acknowledgements My thanks must go to the many people who have helped me complete this book. First, I must thank my family for their encouragement and support, which enabled me to be concentrated and prepare this book. Furthermore, I also want to thank my students for the suggestions they raise in class and the various interactions during teaching which gave me a lot of inspiration in writing and revising this book. My heartfelt thanks also go to the graduate students of the Process System Engineering Laboratory for their assistance in typing, proofreading and composing this book. The content of this book comes from the lecture notes I used when teaching the related courses since 1996 and the credits for the publication of this revised edition are attributable to the Education and Teaching Excellence Funds provided by the university. Finally, we would be pleased to hear from readers who note errors or have suggestions for improvement of the book. Chyi-Tsong Chen, Ph.D. National Quemoy University Kinmen, Taiwan December 2020

分類 其他詳細資訊- 適用對象：成人(學術性)
- 關鍵詞：MATLAB、chemical engineering
- 附件：無附件
- 頁/張/片數：520

- 著作財產權管理機關或擁有者：國立金門大學
- 取得授權資訊：聯絡處室：國立金門大學圖書館 姓名：陳惠蘋 電話：082-313392 地址：金門縣金寧鄉大學路1號