4.7 Article

Violation of collision limit in recently published reaction models

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COMBUSTION AND FLAME
卷 186, 期 -, 页码 208-210

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ELSEVIER SCIENCE INC
DOI: 10.1016/j.combustflame.2017.08.005

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Twenty reaction models published in five consecutive issues of Combustion and Flame in 2015 and 2016 were screened for the occurrence of collision limit violations. It was found that among the 20 models tested, 15 of them contain either considerable numbers of rate coefficients that exceed their respective collision limits or reactions exceeding the collision limit in a considerable manner. In the worst case, the rate coefficient exceeds the collision limit by 73 orders of magnitude. It is proposed that computational tools should be made available for authors to conduct the same rate coefficient screening. A standard report generated by such screening tools should be submitted as a part of the supplementary material for a manuscript in which one or more reaction models are proposed; reviewers should consult the report in forming his/her opinions about the quality of the reaction model during manuscript review. (C) 2017 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

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