Complex Chemical Reaction Systems: Mathematical Modelling and Simulation Proceedings of the Second Workshop, Heidelberg, Fed. Rep. of Germany, August . Series in Chemical Physics, 47, Band 47)

Publisher

Springer

Publication Date

1987

Language

English

ISBN 10

3540183647

ISBN 13

9783540183648

Binding

Hardcover

Condition

Gut

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About this title

Synopsis

Chemical reaction systems of practical interest are usually very They consist of a large number of elementary reactions (hundreds or thou� sands in a small system), mostly with rate coefficients differing by many orders of magnitude, which leads to serious stiffness, and they are often coupled with surface reaction steps and convective or diffusive processes. Thus, the derivation of a "true" chemical mechanism can be extremely cumbersome. In most cases this is done by setting up "reaction models" which are improved step by step using, for example, perturbation theory, numerical simulation and sensitivity analysis (and - hopefully, in the near future - parameter identification procedures), and by comparison with experimental data on sensitive properties. Because of the complexity of these processes, it was very difficult in the past to convince engineers to apply methods using detailed mecha� nisms given in terms of elementary reactions, and even in basic sciences there was scepticism about this ambitious aim. A previous workshop on modelling of chemical reaction systems held in 1980 was an attempt to find a common language of mathematicians, chemists, and engineers working in this interdisciplinary area. Since then considerable progress has been made by the simultaneous development of applied mathematics, an enor� mous increase of computer capacity, and the development of experimental techniques in physical chemistry that have made available well-working reaction mechanisms in some fields of reaction kinetics.

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