Temperature-Dependent Kinetic Prediction for Reactions Described by Isothermal Mathematics.
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.
Lawrence Livermore National Laboratory , Livermore, California 94550, United States.
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Lawrence Livermore National Laboratory , Livermore, California 94550, United States.
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Lawrence Livermore National Laboratory , Livermore, California 94550, United States.
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