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Computational Techniques for Chemical Engineers

Author: C. Storey

Publisher: Elsevier

Published: 2013-10-22

Total Pages: 355

ISBN-13: 148315713X

Computational Techniques for Chemical Engineers offers a practical guide to the chemical engineer faced with a problem of computing. The computer is a servant not a master, its value depends on the instructions it is given. This book aims to help the chemical engineer in the right choice of these instructions. The text begins by outlining the principles of operation of digital and analogue computers and then discussing the difficulties which arise in formulating a problem for solution on such a machine. This is followed by separate chapters on digital computers and their programming; the use of digital computers in chemical engineering design work; optimization techniques and their application in the selection of optimum designs; the solution of sets of non-linear algebraic equations via hill-climbing; and determination of equilibrium compositions by minimization of Gibbs free energy. Subsequent chapters discuss the solution of partial or simultaneous differential equations; parameter estimation in differential equations; continuous systems; and analogue computers.

Computational Techniques for Chemical Engineers

Author: Howard Harry ROSENBROCK (and STOREY (Colin))

Publisher:

Published: 1966

Total Pages:

ISBN-13:

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Computational Methods in Chemical Engineering with Maple

Author: Ralph E. White

Publisher: Springer Science & Business Media

Published: 2010-02-06

Total Pages: 871

ISBN-13: 3642043119

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This book presents Maple solutions to a wide range of problems relevant to chemical engineers and others. Many of these solutions use Maple’s symbolic capability to help bridge the gap between analytical and numerical solutions. The readers are strongly encouraged to refer to the references included in the book for a better understanding of the physics involved, and for the mathematical analysis. This book was written for a senior undergraduate or a first year graduate student course in chemical engineering. Most of the examples in this book were done in Maple 10. However, the codes should run in the most recent version of Maple. We strongly encourage the readers to use the classic worksheet (*. mws) option in Maple as we believe it is more user-friendly and robust. In chapter one you will find an introduction to Maple which includes simple basics as a convenience for the reader such as plotting, solving linear and nonlinear equations, Laplace transformations, matrix operations, ‘do loop,’ and ‘while loop. ’ Chapter two presents linear ordinary differential equations in section 1 to include homogeneous and nonhomogeneous ODEs, solving systems of ODEs using the matrix exponential and Laplace transform method. In section two of chapter two, nonlinear ordinary differential equations are presented and include simultaneous series reactions, solving nonlinear ODEs with Maple’s ‘dsolve’ command, stop conditions, differential algebraic equations, and steady state solutions. Chapter three addresses boundary value problems.

Chemoinformatics

Author: Hossein G. Gilani

Publisher: CRC Press

Published: 2012-07-27

Total Pages: 216

ISBN-13: 1926895231

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Chemoinformatics: Advanced Control and Computational Techniques provides an important understanding of the main computational techniques used for processing chemical and biological structural data. The theoretical background to a number of techniques is introduced. General data analysis techniques and examination of the application techniques in the industy are presented, along with current practices and current research. The book also provides practical experience of commercially available systems and includes small-scale chemoinformatics-related projects. The book offers scope for academics, researchers, and engineering professionals. Chapters range from new methods to novel applications of existing methods and help provide an understanding of the material and/or structural behavior of new and advanced systems. It includes innovative chapters on the growth of educational, scientific, and industrial research activities among chemical engineers. It provides the latest coverage of chemical databases and the development of new computational methods and efficient algorithms for chemical software and chemical engineering.

Computational Methods in Chemical Engineering

Author: Owen T. Hanna

Publisher: Prentice Hall

Published: 1995

Total Pages: 488

ISBN-13:

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Authors Owen Hanna and Orville Sandall include broad use of convergence acceleration techniques such as Pade approximation for series; Shanks transformation for series; linear and nonlinear systems of algebraic equations; systematic use of global Richardson extrapolation for integrals and ODE systems to monitor the overall error; and discussion of methods for the solution of stiff ODE.

Chemical Engineering Computation with MATLAB®

Author: Yeong Koo Yeo

Publisher: CRC Press

Published: 2020-12-15

Total Pages: 849

ISBN-13: 1000284883

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Chemical Engineering Computation with MATLAB®, Second Edition continues to present basic to advanced levels of problem-solving techniques using MATLAB as the computation environment. The Second Edition provides even more examples and problems extracted from core chemical engineering subject areas and all code is updated to MATLAB version 2020. It also includes a new chapter on computational intelligence and: Offers exercises and extensive problem-solving instruction and solutions for various problems Features solutions developed using fundamental principles to construct mathematical models and an equation-oriented approach to generate numerical results Delivers a wealth of examples to demonstrate the implementation of various problem-solving approaches and methodologies for problem formulation, problem solving, analysis, and presentation, as well as visualization and documentation of results Includes an appendix offering an introduction to MATLAB for readers unfamiliar with the program, which will allow them to write their own MATLAB programs and follow the examples in the book Provides aid with advanced problems that are often encountered in graduate research and industrial operations, such as nonlinear regression, parameter estimation in differential systems, two-point boundary value problems and partial differential equations and optimization This essential textbook readies engineering students, researchers, and professionals to be proficient in the use of MATLAB to solve sophisticated real-world problems within the interdisciplinary field of chemical engineering. The text features a solutions manual, lecture slides, and MATLAB program files._

Computational Techniques for Analytical Chemistry and Bioanalysis

Author: Philippe B. Wilson

Publisher: Royal Society of Chemistry

Published: 2020-12-10

Total Pages: 383

ISBN-13: 1788014618

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This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory for graduates and postgraduate researchers.

Advanced Process Control and Simulation for Chemical Engineers

Author: Hossein Ghanadzadeh Gilani

Publisher: CRC Press

Published: 2016-04-19

Total Pages: 216

ISBN-13: 1466568887

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This book offers a modern view of process control in the context of today's technology. It provides innovative chapters on the growth of educational, scientific, and industrial research among chemical engineers. It presents experimental data on thermodynamics and provides a broad understanding of the main computational techniques used for chemical

NUMERICAL, SYMBOLIC AND STATISTICAL COMPUTING FOR CHEMICAL ENGINEERS USING MATLAB

Author: Ghosh, Pallab

Publisher: PHI Learning Pvt. Ltd.

Published: 2018-09-01

Total Pages: 416

ISBN-13: 9387472523

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Numerical, analytical and statistical computations are routine affairs for chemical engineers. They usually prefer a single software to solve their computational problems, and at present, MATLAB has emerged as a powerful computational language, which is preferably used for this purpose, due to its built-in functions and toolboxes. Considering the needs and convenience of the students, the author has made an attempt to write this book, which explains the various concepts of MATLAB in a systematic way and makes its readers proficient in using MATLAB for computing. It mainly focuses on the applications of MATLAB, rather than its use in programming basic numerical algorithms. Commencing with the introduction to MATLAB, the text covers vector and matrix computations, solution of linear and non-linear equations, differentiation and integration, and solution of ordinary and partial differential equations. Next, analytical computations using the Symbolic Math Toolbox and statistical computations using the Statistics and Machine Learning Toolbox are explained. Finally, the book describes various curve fitting techniques using the Curve Fitting Toolbox. Inclusion of all these advanced-level topics in the book stands it out from the rest. KEY FEATURES  Numerous worked-out examples to enable the readers understand the steps involved in solving the chemical engineering problems  MATLAB codes to explain the computational techniques  Several snapshots to help the readers understand the step-by-step procedures of using the toolboxes  Chapter-end exercises, including short-answer questions and numerical problems  Appendix comprising the definitions of some important and special matrices  Supplemented with Solutions Manual containing complete detailed solutions to the unsolved analytical problems  Accessibility of selected colour figures (including screenshots and results/outputs of the programs) cited in the text at www.phindia.com/Pallab_Ghosh. TARGET AUDIENCE • BE/B.Tech (Chemical Engineering) • ME/M.Tech (Chemical Engineering)

Computational and Statistical Methods for Chemical Engineering

Author: Wim P. Krijnen

Publisher: CRC Press

Published: 2022-12-19

Total Pages: 388

ISBN-13: 1000822621

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In the recent decades, the emerging new molecular measurement techniques and their subsequent availability in chemical database has allowed easier retrieval of the associated data by the chemical analyst. Before the data revolution, most books focused either on mathematical modeling of chemical processes or exploratory chemometrics. Computational and Statistical Methods for Chemical Engineering aims to combine these two approaches and provide aspiring chemical engineers a single, comprehensive account of computational and statistical methods. The book consists of four parts: Part I discusses the necessary calculus, linear algebra, and probability background that the student may or may not have encountered before. Part II provides an overview on standard computational methods and approximation techniques useful for chemical engineering systems. Part III covers the most important statistical models, starting from simple measurement models, via linear models all the way to multivariate, non-linear stochiometric models. Part IV focuses on the importance of designed experiments and robust analyses. Each chapter is accompanied by an extensive selection of theoretical and practical exercises. The book can be used in combination with any modern computational environment, such as R, Python and MATLAB. Given its easy and free availability, the book includes a bonus chapter giving a simple introduction to R programming. This book is particularly suited for undergraduate students in Chemical Engineering who require a semester course in computational and statistical methods. The background chapters on calculus, linear algebra and probability make the book entirely self-contained. The book takes its examples from the field of chemistry and chemical engineering. In this way, it motivates the student to engage actively with the material and to master the techniques that have become crucial for the modern chemical engineer.