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Modeling of complex chemical reactions in a continuous-flow reactor: A Markov chain approach

✍ Scribed by S.T. Chou; L.T. Fan; R. Nassar

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
768 KB
Volume
43
Category
Article
ISSN
0009-2509

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✦ Synopsis

To simulate the dynamics of a chemicaliy reacting system as a Markov chain, the states of the chain need to be properly identified. In the present approach, a molecule is viewed as an "object", "entity" or system. The transformation of the molecule from one species to another is visualized as the transition of this "entity" from one form to another. Furthermore, appropriately selected chemical species or entities in the mixture serve as the states of the chain. The selection of such species is subject to the stoichiometric constraint based on the atomic balance. The approach is illustrated with several chemically

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