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Chemical reaction systems of practical interest are usually very
complex: 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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Gas Phase Chemical Reaction Systems - Experiments and Models 100 Years After Max Bodenstein Proceedings of an International Symposion, held at the "Internationales Wissenschaftsforum Heidelberg", Heidelberg, Germany, July 25 - 28, 1995 (Paperback, Softcover reprint of the original 1st ed. 1996)
Jurgen Wolfrum, Hans-Robert Volpp, R. Rannacher, Jurgen Warnatz
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R2,978
Discovery Miles 29 780
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Ships in 10 - 15 working days
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This volume consists of edited papers presented at the
International Symposion Gas Phase Chemical Reaction Systems:
Experiments and Models 100 Years After Max Bodenslein, held at the
Internationales Wissenschaftsforum Heidelberg (IWH) in Heidelberg
during July 25-28, 1995. The intention of this symposion was to
bring together leading researchers from the fields of reaction
dynamics, kinetics, catalysis and reactive flow model ling to
discuss and review the advances in the understanding of chemical
kinetics about 100 years after Max Bodenstein's pioneering work on
the "hydrogen iodine reaction", which he carried out at the
Chemistry Institute of the University of Heidelberg. The idea to
focus in his doctoral thesis [1] on this reaction was brought up by
his supervisor Victor Meyer (successor of Robert Bunsen at the
Chemistry Institute of the University of Heidelberg) and originated
from the non reproducible behaviour found by Bunsen and Roscoe in
their early photochemical investigations of the H2/Cl2 system [2]
and by van't Hoff [3], and V. Meyer and co-workers [4] in their
experiments on the slow combustion of H2/02 mixtures.
This volume collects the results of a workshop held at Aachen,
West-Germany, Oct. 12 - Oct. 14, 1981. The purpose in bringing
together scientists actively working in the field of numerical
methods in flame propagation was two-fold: 1. To confront them with
recent results obtained by large ac- tivation-energy asymptotics
and to check these numerically. 2. To compare different numerical
codes and different trans- port models for flat flame calculations
with complex che- mistry. Two test problems were formulated by the
editors to meet these objectives. Test problem A was an unsteady
propagating flat flame with one-step chemistry and Lewis number
different from unity while test problem B was the steady,
stoichiometric hy- drogen-air flame with prescribed complex
chemistry. The parti- cipants were asked to solve one or both test
problems and to present recent work of their own choice at the
meeting. The results of the numerical calculations of test problem
A are challenging just as much for scientists employing numerical
me- thods as for those devoted to large activation-energy asympto-
tics: Satisfactory agreement between the five different groups were
obtained only for two out of six cases, those with Lewis number Le
equal to one. The very strong oscillations that oc- cur at Le = 2
and a nondimensional activation energy of 20 were accurately
resolved only by one group. This case is par- ticular interesting
because the asymptotic theory so far pre- dicts instability but not
oscillations.
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