Numerical Methods for Chemical Engineering: Applications in MATLAB

In August 2003, ETHZ Computational Laboratory (CoLab), together with the Swiss Center for Scientific Computing in Manno and the Università della Svizzera Italiana (USI), organized the Summer School in "Multiscale Modelling and Simulation" in Lugano, Switzerland. This summer school brought together experts in different disciplines to exchange ideas on how to link methodologies on different scales. Relevant examples of practical interest include: structural analysis of materials, flow through porous media, turbulent transport in high Reynolds number flows, large-scale molecular dynamic simulations, ab-initio physics and chemistry, and a multitude of others. Though multiple scale models are not new, the topic has recently taken on a new sense of urgency. A number of hybrid approaches are now created in which ideas coming from distinct disciplines or modelling approaches are unified to produce new and computationally efficient techniques Suitable for a first year graduate course, this textbook unites the applications of numerical mathematics and scientific computing to the practice of chemical engineering. Written in a pedagogic style, the book describes basic linear and nonlinear algebric systems all the way through to stochastic methods, Bayesian statistics and parameter estimation. These subjects are developed at a level of mathematics suitable for graduate engineering study without the exhaustive level of the theoretical mathematical detail. The implementation of numerical methods in MATLAB is integrated within each chapter and numerous examples in chemical engineering are provided, with a library of corresponding MATLAB programs. This book will provide the graduate student with essential tools required by industry and research alike. Supplementary material includes solutions to homework problems set in the text, MATLAB programs and tutorial, lecture slides, and complicated derivations for the more advanced reader. These are available online at www.cambridge.org/9780521859714.  Read more...