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.

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

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.

While various software packages have become essential for performing unit operations and other kinds of processes in chemical engineering, the fundamental theory and methods of calculation must also be understood to effectively test the validity of these packages and verify the results. Computer Methods in Chemical Engineering, Second Edition presents the most used simulation software along with the theory involved. It covers chemical engineering thermodynamics, fluid mechanics, material and energy balances, mass transfer operations, reactor design, and computer applications in chemical engineering. The highly anticipated Second Edition is thoroughly updated to reflect the latest updates in the featured software and has added a focus on real reactors, introduces AVEVA Process Simulation software, and includes new and updated appendixes. Through this book, students will learn the following: What chemical engineers do The functions and theoretical background of basic chemical engineering unit operations How to simulate chemical processes using software packages How to size chemical process units manually and with software How to fit experimental data How to solve linear and nonlinear algebraic equations as well as ordinary differential equations Along with exercises and references, each chapter contains a theoretical description of process units followed by numerous examples that are solved step by step via hand calculation and computer simulation using Hysys/UniSim, PRO/II, Aspen Plus, and SuperPro Designer. Adhering to the Accreditation Board for Engineering and Technology (ABET) criteria, the book gives chemical engineering students and professionals the tools to solve real problems involving thermodynamics and fluid-phase equilibria, fluid flow, material and energy balances, heat exchangers, reactor design, distillation, absorption, and liquid extraction. This new edition includes many examples simulated by recent software packages. In addition, fluid package information is introduced in correlation to the numerical problems in book. An updated solutions manual and PowerPoint slides are also provided in addition to new video guides and UniSim program files.

Applications of numerical mathematics and scientific computing to chemical engineering.

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.