首页> 外文会议>International Conference on Computational Science - ICCA 2003 Pt.2 Jun 2-4, 2003 Melbourne, Australia and St. Petersburg, Russia >Numerical Revelation of Kinetic Significance for Steps and Species in Complex Chemical Reaction Mechanisms by Hamiltonian Systematization Method
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Numerical Revelation of Kinetic Significance for Steps and Species in Complex Chemical Reaction Mechanisms by Hamiltonian Systematization Method

机译:哈密​​顿量系统化方法对复杂化学反应机理中步骤和物种动力学意义的数值启示

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摘要

The method of numerical calculation of kinetic significance (value magnitude) of the individual steps is suggested by means of Hamiltonian systematization multystep chemical reaction model. The given computation method is desplayed on the Chapman analyse model for ozone kinetics,as well as a tools of reduction model of formaldehyde oxidation reaction in the presence of carbon (II) oxide.
机译:利用汉密尔顿系统化多步化学反应模型,提出了各步动力学显着性(数值大小)的数值计算方法。查普曼(Chapman)臭氧动力学分析模型以及在碳(II)氧化物存在下甲醛氧化反应的还原模型的工具都没有给出给定的计算方法。

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