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Numerical Methods for Chemical Engineers with MATLAB Applications

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Numerical Methods for Chemical Engineers with MATLAB Applications

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  • A variety of numerical methods and their application to the solution of engineering problems—Provides clear, concise development of linear and nonlinear algebraic equations, eigenvalue problems, finite difference methods, interpolation, differentiation and integration, ordinary differential equations, boundary value problems, partial differential equations, and linear and nonlinear regression analysis.
    • Helps students develop a full range of problem-solving skills that they can choose from in tackling the multi-faceted problems they'll encounter in the real world.

  • Flexible, multi-use organization, with advanced topics clearly marked—Covers both basic and advanced numerical methods in each chapter, with the more advanced techniques covered last whenever feasible. Asterisks mark (in the Contents) those sections that may be omitted in an undergraduate course.
    • Allows the text to be used with a variety of student levels—a one-semester, graduate-level course in applied numerical methods would cover all the material in the book; while a junior/senior-level course would cover the more basic methods in each chapter.

  • Systematic development of the calculus of finite differences and its application to the integration of differential equations.
    • Enhances the students' understandings of the numerical interpretation of ordinary and partial differential equations.

  • Detailed discussion of nonlinear regression analysis—Provides powerful programs for implementing multivariable nonlinear regression and statistical analysis of the results.
    • Helps students understand the basic statistical tests required in the evaluation of regressed results. Provides a tool for model building and parameter estimation. This is especially useful for graduate students who do modeling and parameter estimation of experimental results.

  • Extensive use of MATLAB® throughout—Chosen for its ability to perform all the calculations in matrix form, its large library of built-in functions, its strong structural language, and its rich graphical visualization tools.
    • Allows students to access the full power of this high-performance, easy-to-use language for technical computing—whether they are working in the WINDOWS 95/98/NT, Macintosh, or Unix operating systems. Provides them with a very useful editor for writing the MATLAB scripts.

  • An optional introduction to MATLAB.
    • Helps students who are not familiar with MATLAB get up to speed quickly with the program prior to studying the numerical methods.

  • Several worked examples, using MATLAB, in each chapter (22 in all)—Demonstrates the solution of numerical techniques using programs (compatible with MATLAB 5.0 or higher) available on the book's CD. The examples each present a general MATLAB function which implements a method and which may be applied to the solution of other problems that fall in the same category of application as the worked example.
    • Helps students grasp—step by step—the fundamentals of the techniques so they can extend the fundamentals with confidence to similar, but more complex, problems.

  • Source code, general algorithm, and brief and detailed descriptions for all programs.
    • Provides students with a thorough background and understanding of how MATLAB is used to implement the numerical methods so they can move beyond mere number-crunching. Allows both students and instructors to easily modify the programs to suit their individual needs.

  • Numerous examples and homework problems drawn from chemical and biochemical engineering.
    • Maintains students' interest by giving them immediate, hands-on experience in applying content to subjects in which they already have an interest.

Description

  • Copyright 1999
  • Dimensions: 7 X 9-1/4
  • Pages: 608
  • Edition: 1st
  • Book
  • ISBN-10: 0-13-013851-7
  • ISBN-13: 978-0-13-013851-4

Master numerical methods using MATLAB, today's leading software for problem solving.

This complete guide to numerical methods in chemical engineering is the first to take full advantage of MATLAB's powerful calculation environment. Every chapter contains several examples using general MATLAB functions that implement the method and can also be applied to many other problems in the same category.

The authors begin by introducing the solution of nonlinear equations using several standard approaches, including methods of successive substitution and linear interpolation; the Wegstein method, the Newton-Raphson method; the Eigenvalue method; and synthetic division algorithms. With these fundamentals in hand, they move on to simultaneous linear algebraic equations, covering matrix and vector operations; Cramer's rule; Gauss methods; the Jacobi method; and the characteristic-value problem. Additional coverage includes:

Finite difference methods, and interpolation of equally and unequally spaced points

Numerical differentiation and integration, including differentiation by backward, forward, and central finite differences; Newton-Cotes formulas; and the Gauss Quadrature

Two detailed chapters on ordinary and partial differential equations

Linear and nonlinear regression analyses, including least squares, estimated vector of parameters, method of steepest descent, Gauss-Newton method, Marquardt Method, Newton Method, and multiple nonlinear regression

The numerical methods covered here represent virtually all of those commonly used by practicing chemical engineers. The focus on MATLAB enables readers to accomplish more, with less complexity, than was possible with traditional FORTRAN. For those unfamiliar with MATLAB, a brief introduction is provided as an Appendix.

Over 60+ MATLAB examples, methods, and function scripts are covered, and all of them are included on the book's CD

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Click here for a sample chapter for this book: 0130138517.pdf

Table of Contents



General Algorithm for the Software Developed in This Book.


Programs on the website.


1. Numerical Solution of Nonlinear Equations.


2. Numerical Solution of Simultaneous Linear Algebraic Equations.


3. Finite Difference Methods and Interpolation.


4. Numerical Differentiation and Integration.


5. Numerical Solution of Ordinary Differential Equations.


6. Numerical Solution of Partial Differential Equations.


7. Linear and Nonlinear Regression Analysis.


Appendix: Introduction to MATLAB.


Index.

Preface

Preface
This book emphasizes the derivation of a variety of numerical methods and their application to the solution of engineering problems, with special attention to problems in the chemical engineering field. These algorithms encompass linear and nonlinear algebraic equations, eigenvalue problems, finite difference methods, interpolation, differentiation and integration, ordinary differential equations, boundary-value problems, partial differential equations, and linear and nonlinear regression analysis.

MATLAB 2 is adopted as the calculation environment throughout the book. MATLAB is a high-performance language for technical computing. It integrates computation, visualization, and programming in an easy-to-use environment. MATLAB is distinguished by its ability to perform all the calculations in matrix form, its large library of built-in functions, its strong structural language, and its rich graphical visualization tools. In addition, MATLAB is available on all three operating platforms: WINDOWS, Macintosh, and UNIX. The reader is expected to have a basic knowledge of using MATLAB. However, for those who are not familiar with MATLAB, it is recommended that they cover the subjects discussed in Appendix A: Introduction to MATLAB prior to studying the numerical methods. Several worked examples are given in each chapter to demonstrate the numerical techniques. Most of these examples require computer programs for their solution. These programs were written in the MATLAB language and are compatible with MATLAB 5.0 or higher. In all the examples, we tried to present a general MATLAB function that implements the method and that may be applied to the solution of other problems that fall in the same category of application as the worked example. The general algorithm for these programs is illustrated in the section entitled, "General Algorithm for the Software Developed in this Book." All the programs that appear in the text are included on the CD-ROM that accompanies this book. There are three versions of these programs on the CD-ROM, one for each of the major operating systems in which MATLAB exists: WINDOWS, Macintosh, and UNIX. Installation procedures, a complete list, and brief descriptions of all the programs are given in the section entitled "Programs on the CD-ROM" that immediately follows this Preface. In addition, the programs are described in detail in the text in order to provide the reader with a thorough background and understanding of how MATLAB is used to implement the numerical methods. It is important to mention that the main purpose of this book is to teach the student numerical methods and problem solving, rather than to be a MATLAB manual. In order to assure that the student develops a thorough understanding of the numerical methods and their implementation, new MATLAB functions have been written to demonstrate each of the numerical methods covered in this text. Admittedly, MATLAB already has its own built-in functions for some of the methods introduced in this book. We mention and discuss the built-in functions, whenever they exist. The material in this book has been used in undergraduate and graduate courses in the Department of Chemical and Biochemical Engineering at Rutgers University.

Basic and advanced numerical methods are covered in each chapter. Whenever feasible, the more advanced techniques are covered in the last few section s of each chapter. A one-semester graduate level course in applied numerical methods would cover all the material in this book. An undergraduate course (junior or senior level) would cover the more basic methods in each chapter. To facilitate the professor teaching the course, we have marked with an asterisk (*) in the Table of Contents those sections that may be omitted in an undergraduate course. Of course, this choice is left to the discretion of the professor. Future updates of the software, revisions of the text, and other news about this book will be listed on our web site at http://sol.rutgers.edu/~constant.

Prentice Hall and the authors would like to thank the reviewers of this book for their constructive comments and suggestions. NM is grateful to Professor Jamal Chaouki of Ecole Polytechnique de Montréal for his support and understanding.

Alkis Constantinides Navid Mostoufi

Programs on the CD-ROM

Brief Description
The programs contained on the CD-ROM that accompanies this book have been written in the MATLAB 5.0 language and will execute in the MATLAB command environment in all three operating systems (WINDOWS, Macintosh, and UNIX). There are 21 examples, 29 methods, and 13 other function scripts on this CD-ROM. A list of the programs is given later in this section. Complete discussions of all programs are given in the corresponding chapters of the text. MATLAB is a high-performance language for technical computing. It integrates computation,visualization, and programming in an easy-to-use environment. It is assumed that the user has access to MATLAB. If not, MATLAB may be purchased from:

The MathWorks, Inc.
24 Prime Park Way
Natick, MA 07160-1500
Tel: 508-647-7000
Fax: 508-647-7001
E-mail: info@mathworks.com
http://www.mathworks.com
The Student Edition of MATLAB may be obtained from:
Prentice Hall PTR, Inc.
One Lake Street
Upper Saddle River, NJ 07458
http://www.prenhall.com
An introduction to MATLAB fundamentals is given in Appendix A of this book.

Program Installation for WINDOWS.

To start the installation, do the following:
  1. Insert the CD-ROM in your CD-ROM drive (usually d: or e:)
  2. Choose Run from the WINDOWS Start menu, type d: (or e: ) and click OK.

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