This undergraduate textbook integrates the teaching of numerical methods and programming with problems from core chemical engineering subjects.

This book is an exhaustive presentation of the applications of numerical methods in chemical engineering. Intended primarily as a textbook for B.E./B.Tech and M.Tech students of chemical engineering, the book will also be useful for research and development/process professionals in the fields of chemical, biochemical, mechanical and biomedical engineering. The book, now, in its second edition, comprises three parts. Part I on General Chemical Engineering is same as given in the first edition of the book. It explains solving linear and non-linear algebraic equations, chemical engineering thermodynamics problems, initial value problems, boundary value problems and topics related to chemical reaction, dispersion and diffusion as well as steady and transient heat conduction. Whereas, Part II and Part III comprising two chapters and six chapters, respectively, are newly introduced in the present edition. Besides, three appendices covering computer programs have been included. For practice, the book provides students with numerous worked-out examples and chapter-end exercises including their answers. NEW TO THE SECOND EDITION • Part II on Fixed Bed Catalytic Reactor consists of solving multiple gas phase reactions in a PFR, diffusion and multiple reactions in a catalytic pellet, and fixed bed catalytic reactor with multiple reactions. • Part III on Multicomponent Distillation consists of solving vapour-liquid-liquid isothermal flash using NRTL model, adiabatic flash using Wilson model, bubble point method, theta method and Naphtali-Sandholm method for distillation using modified Raoult's law with Wilson activity coefficient model.

Applications of numerical mathematics and scientific computing to chemical engineering.

In this second edition of An Introduction to Numerical Methods for Chemical Engineers the author has revised text, added new problems, and updated the accompanying computer programs. The result is a text that puts students on the cutting-edge of solving relevant chemical engineering problems.Designed explicitly for undergraduates, this book provides students with software and experience to solve a number of problems.Included in the text are: Numerical algorithms in explicit detail. Example problems from thermodynamic, fluid flow, heat transfer, mass transfer, kinetics, and process design. Equations developed specifically for the student from the example problems. An introduction to advanced numerical techniques, such as finite elements, singular value decomposition, and arc length homotopy. An introduction to optimization. A systematic approach to process modeling presented with advanced modeling examples. The software that accompanies the book is for IBM-compatible PCs. A solution manual is also available upon request.An Introduction to Numerical Methods for Chemical Engineers was first published in 1988 and has been taught in universities throughout the nation.

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

Numerical simulation methods in all engineering disciplines gains more and more importance. The successful and efficient application of such tools requires certain basic knowledge about the underlying numerical techniques. The text gives a practice-oriented introduction in modern numerical methods as they typically are applied in mechanical, chemical, or civil engineering. Problems from heat transfer, structural mechanics, and fluid mechanics constitute a thematical focus of the text. For the basic understanding of the topic aspects of numerical mathematics, natural sciences, computer science, and the corresponding engineering area are simultaneously important. Usually, the necessary information is distributed in different textbooks from the individual disciplines. In the present text the subject matter is presented in a comprehensive multidisciplinary way, where aspects from the different fields are treated insofar as it is necessary for general understanding. Overarching aspects and important questions related to accuracy, efficiency, and cost effectiveness are discussed. The topics are presented in an introductory manner, such that besides basic mathematical standard knowledge in analysis and linear algebra no further prerequisites are necessary. The book is suitable either for self-study or as an accompanying textbook for corresponding lectures. It can be useful for students of engineering disciplines as well as for computational engineers in industrial practice.