Numerical Revelation and Analysis of Critical Ignition Conditions for Branch Chain Reactions by Hamiltonian Systematization Methods of Kinetic Models

机译：哈密顿动力学模型系统化方法对支链反应临界点火条件的数值揭示和分析

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A new numerical method to calculate explosion limits of gas mixtures based on Hamiltonian systematization of kinetic models is offered. As a criterion for the critical state of reaction system the extreme behaviour of functions describing total concentration of chemical species is selected. The present approach enables numerical calculation of kinetic significance of the individual steps and species in the critical ignition conditions of the reaction. The abilities of this numerical method to calculate explosion limits are illustrated by means of the computer programme VALKIN for the reaction mechanism of hydrogen oxidation.

机译：提供了一种基于动力学模型的哈密顿系统化计算气体混合物爆炸极限的新数值方法。选择描述化学物质总浓度的功能极端行为作为反应系统临界状态的标准。本方法能够在反应的临界着火条件下数值计算各个步骤和物质的动力学重要性。该数值方法计算爆炸极限的能力通过计算机程序VALKIN进行了说明，该程序用于氢氧化反应机理。

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《International Conference on Computational Science and Its Applications(ICCSA 2004) pt.2; 20040514-20040517; Assisi; IT》|2004年|P.313-320|共8页
会议地点 Assisi(IT);Assisi(IT)
作者
Gagik A. Martoyan; Levon A. Tavadyan;
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作者单位

Institute of Chemical Physics, National Academy of Sciences, Republic of Armenia. 5/2 Sevak Street, Yerevan 375014, Armenia;

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原文格式 PDF
正文语种 eng
中图分类理论、方法;
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Numerical Revelation and Analysis of Critical Ignition Conditions for Branch Chain Reactions by Hamiltonian Systematization Methods of Kinetic Models

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