The application of modern methods in numerical mathematics on problems in chemical engineering is essential for designing, analyzing and running chemical processes and even entire plants. Scientific Computing in Chemical Engineering II gives the state of the art from the point of view of numerical mathematicians as well as that of engineers. The present volume as part of a two-volume edition covers topics such as the simulation of reactive flows, reaction engineering, reaction diffusion problems, and molecular properties. The volume is aimed at scientists, practitioners and graduate students in chemical engineering, industrial engineering and numerical mathematics.

Scientific Computing in Chemical Engineering gives the state of the art from the point of view of the numerical mathematicians as well as from the engineers. The application of modern methods in numerical mathematics on problems in chemical engineering, especially reactor modeling, process simulation, process optimization and the use of parallel computing is detailed.

The application of modern methods in numerical mathematics on problems in chemical engineering is essential for designing, analyzing and running chemical processes and even entire plants. Scientific Computing in Chemical Engineering II gives the state of the art from the point of view of numerical mathematicians as well as that of engineers. The present volume as part of a two-volume edition covers topics such as computer-aided process design, combustion and flame, image processing, optimization, control, and neural networks. The volume is aimed at scientists, practitioners and graduate students in chemical engineering, industrial engineering and numerical mathematics.

Applications of numerical mathematics and scientific computing to chemical engineering.

This book is a practical guide to the numerical solution of linear and nonlinear equations, differential equations, optimization problems, and eigenvalue problems. It treats standard problems and introduces important variants such as sparse systems, differential-algebraic equations, constrained optimization, Monte Carlo simulations, and parametric studies. Stability and error analysis are emphasized, and the Matlab algorithms are grounded in sound principles of software design and understanding of machine arithmetic and memory management. Nineteen case studies provide experience in mathematical modeling and algorithm design, motivated by problems in physics, engineering, epidemiology, chemistry, and biology. The topics included go well beyond the standard first-course syllabus, introducing important problems such as differential-algebraic equations and conic optimization problems, and important solution techniques such as continuation methods. The case studies cover a wide variety of fascinating applications, from modeling the spread of an epidemic to determining truss configurations.

Step-by-step instructions enable chemical engineers to master key software programs and solve complex problems Today, both students and professionals in chemical engineering must solve increasingly complex problems dealing with refineries, fuel cells, microreactors, and pharmaceutical plants, to name a few. With this book as their guide, readers learn to solve these problems using their computers and Excel®, MATLAB, Aspen Plus, and COMSOL Multiphysics. Moreover, they learn how to check their solutions and validate their results to make sure they have solved the problems correctly. Now in its Second Edition, Introduction to Chemical Engineering Computing is based on the author's firsthand teaching experience. As a result, the emphasis is on problem solving. Simple introductions help readers become conversant with each program and then tackle a broad range of problems in chemical engineering, including: Equations of state Chemical reaction equilibria Mass balances with recycle streams Thermodynamics and simulation of mass transfer equipment Process simulation Fluid flow in two and three dimensions All the chapters contain clear instructions, figures, and examples to guide readers through all the programs and types of chemical engineering problems. Problems at the end of each chapter, ranging from simple to difficult, allow readers to gradually build their skills, whether they solve the problems themselves or in teams. In addition, the book's accompanying website lists the core principles learned from each problem, both from a chemical engineering and a computational perspective. Covering a broad range of disciplines and problems within chemical engineering, Introduction to Chemical Engineering Computing is recommended for both undergraduate and graduate students as well as practicing engineers who want to know how to choose the right computer software program and tackle almost any chemical engineering problem.