Temperature-Dependent Kinetic Prediction for Reactions Described by Isothermal Mathematics
Author(s) -
L. N. Dinh,
T. C. Sun,
William McLean
Publication year - 2016
Publication title -
the journal of physical chemistry a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.756
H-Index - 235
eISSN - 1520-5215
pISSN - 1089-5639
DOI - 10.1021/acs.jpca.6b08219
Subject(s) - isothermal process , kinetic energy , mean kinetic temperature , thermodynamics , fraction (chemistry) , chemical reaction , process (computing) , statistical physics , chemistry , computer science , physics , classical mechanics , organic chemistry , operating system , astrophysics
Most kinetic models are expressed in isothermal mathematics. This may lead unaware scientists either to the misconception that classical isothermal kinetic models cannot be used for any chemical process in an environment with a time-dependent temperature profile or, even worse, to a misuse of them. In reality, classical isothermal models can be employed to make kinetic predictions for reactions in environments with time-dependent temperature profiles, provided that there is a continuity/conservation in the reaction extent at every temperature-time step. In this article, fundamental analyses, illustrations, guiding tables, and examples are given to help the interested readers using either conventional isothermal reacted fraction curves or rate equations to make proper kinetic predictions for chemical reactions in environments with temperature profiles that vary, even arbitrarily, with time simply by the requirement of continuity/conservation of reaction extent whenever there is an external temperature change.
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