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Titlebook: Analysis of Kinetic Reaction Mechanisms; Tamás Turányi,Alison S. Tomlin Book 2014 Springer-Verlag Berlin Heidelberg 2014 complex chemical

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期刊全称Analysis of Kinetic Reaction Mechanisms
影响因子2023Tamás Turányi,Alison S. Tomlin
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发行地址First book to discuss the practical applications of kinetic reaction mechanisms in a single comprehensive text.One of the only available texts to discuss the reduction of reaction mechanisms.Supports
图书封面Titlebook: Analysis of Kinetic Reaction Mechanisms;  Tamás Turányi,Alison S. Tomlin Book 2014 Springer-Verlag Berlin Heidelberg 2014 complex chemical
影响因子Chemical processes in many fields of science and technology, including combustion, atmospheric chemistry, environmental modelling, process engineering, and systems biology, can be described by detailed reaction mechanisms consisting of numerous reaction steps. This book describes methods for the analysis of reaction mechanisms that are applicable in all these fields. Topics addressed include: how sensitivity and uncertainty analyses allow the calculation of the overall uncertainty of simulation results and the identification of the most important input parameters, the ways in which mechanisms can be reduced without losing important kinetic and dynamic detail, and the application of reduced models for more accurate engineering optimizations. This monograph is invaluable for researchers and engineers dealing with detailed reaction mechanisms, but is also useful for graduate students of related courses in chemistry, mechanical engineering, energy and environmental science and biology.
Pindex Book 2014
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Mechanism Construction and the Sources of Data,s for all kinetic and thermodynamic parameters. Whilst this sounds like a simple task, in reality, it is extremely complicated. Reaction mechanisms often undergo updates and revisions over time, as the quantification of input parameters is improved through new kinetic studies or as new reaction step
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Reaction Pathway Analysis,e flow of a conserved property (such as the number of carbon atoms) from one species to another within the reaction scheme. In this way, element flux diagrams can be generated, which can be used for visualising the main reaction pathways within a mechanism (e.g. by representing the strength of fluxe
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Similarity of Sensitivity Functions,els, then the calculated local sensitivity functions are usually similar to each other. An implication of this is that in many cases, by changing a number of input parameters simultaneously according to certain ratios, almost identical simulation results can be obtained for output variables of kinet
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