Mathematical Models Of Chemical Reactions

What do molecules look like and how do they change their shape in chemical reactions? The answers to such questions are elucidated in this book, which gives a comprehensive and topical overview of mathematical modeling in chemistry. In 21 chapters leading research groups describe recent progress in stereochemistry and shape analysis reactivity and reaction modeling chemical properties and QSAR algorithmic approaches. Their collective experience will enable the reader to implement the latest mathematical models to analyze molecular properties and chemical reactions.

Mathematics remains a core area of engineering. Formulating and analyzing mathematical models of basic engineering systems is an essential skill that all engineering students should endeavor to acquire. This book will serve as an excellent introduction to linear mathematics for engineering students, both seniors and graduate students. It is the result of a collaboration between a chemical engineer and a mathematician, both of whom have taught classes on modelling and applied mathematics. It provides a broad collection of chemical engineering modelling examples to train students in model formulation and model simplification as well as give a thorough coverage of the mathematical tools used to analyze and solve linear chemical engineering models. Solution manual is provided for free to instructors who adopt this textbook. Please send your request to [email protected].

"Understanding the mathematical modeling of chemical processes is fundamental to the successful career of a researcher in chemical engineering. This book reviews, introduces, and develops the mathematics that is most frequently encountered in sophisticated chemical engineering models. The result of a collaboration between a chemical engineer and a mathematician, both of whom have taught classes on modeling and applied mathematics, the book provides a rigorous and in-depth coverage of chemical engineeringmodel formulation and analysis as well as a text which can serve as an excellent introduction to linear mathematics for engineering students. There is a clear focus in the choice of material, worked examples, and exercises that make it unusually accessible to the target audience. The book places a heavy emphasis on applications to motivate the theory, but simultaneously maintains a high standard of rigor to add mathematical depth and understanding."--Publisher's website.

Presenting strategies in control policies, this text uses a systems theory approach to predict, simulate and streamline plant operation, conserve fuel and resources, and increase workplace safety in the manufacturing, chemical, petrochemical, petroleum, biochemical and energy industries. Topics of discussion include system theory and chemical/biochemical engineering systems, steady state, unsteady state, and thermodynamic equilibrium, modeling of systems, fundamental laws governing the processes in terms of the state variables, different classifications of physical models, the story of chemical engineering in relation to system theory and mathematical modeling, overall heat balance with single and multiple chemical reactions and single and multiple reactions.

This book provides an introduction to the analysis of stochastic dynamic models in biology and medicine. The main aim is to offer a coherent set of probabilistic techniques and mathematical tools which can be used for the simulation and analysis of various biological phenomena. These tools are illustrated on a number of examples. For each example, the biological background is described, and mathematical models are developed following a unified set of principles. These models are then analyzed and, finally, the biological implications of the mathematical results are interpreted. The biological topics covered include gene expression, biochemistry, cellular regulation, and cancer biology. The book will be accessible to graduate students who have a strong background in differential equations, the theory of nonlinear dynamical systems, Markovian stochastic processes, and both discrete and continuous state spaces, and who are familiar with the basic concepts of probability theory.

Learn to apply modeling and parameter estimation tools and strategies to chemicalprocesses using your personal computer This book introduces readers to powerful parameter estimation and computational methods for modeling complex chemical reactions and reaction processes. It presents useful mathematical models, numerical methods for solving them, and statistical methods for testing and discriminating candidate models with experimental data. Topics covered include: Chemical reaction models Chemical reactor models Probability and statistics Bayesian estimation Process modeling with single-response data Process modeling with multi-response data Computer software (Athena Visual Studio) is available via a related Web site http://www.athenavisual.com enabling readers to carry out parameter estimation based on their data and to carry out process modeling using these parameters. As an aid to the reader, an appendix of example problems and solutions is provided. Computer-Aided Modeling of Reactive Systems is an ideal supplemental text for advanced undergraduates and graduate students in chemical engineering courses, while it also serves as a valuable resource for practitioners in industry who want to keep up to date on the most current tools and strategies available.