Theory of Bimolecular Reaction Processes in Liquids
Theory of Bimolecular Reaction Processes in Liquids
复制标题
液体中双分子反应过程理论
DOI：
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发表时间：
1967
期刊：
影响因子：
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通讯作者：
N. Shigesada
中科院分区：
文献类型：
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作者：
E. Teramoto;N. Shigesada
提出了扩散控制双分子反应问题的一种理论方法。为了考虑多粒子系统反应过程的ti:ne相关性，引入了反应概率作为基本量。系统系综的时间发展是用第一反应的概率来表示的。采用一种近似方法，将一般公式简化为马尔可夫过程问题。然后证明，如果假设反应速率不变，通常的现象动力学方程，即所谓的质量作用定律，可以作为一级近似导出，并作为二阶近似检查偏离质量作用定律的偏差。对于一般情况，为了以显式形式得到第一反应的概率，有必要求解。用二元碰撞展开法计算了具有对吸收相互作用的多维扩散方程。
A theoretical approach to the problem of diffusion controlled bimolecular reactions 1s presented. In order to take into account the ti:ne correlation of reaction process of our many-particle system, the probability of the fust reaction is introduced as a fundamental quantity. Time development of the ensemble of our system is formulated using the probability of the first reaction. An approximation which reduces the general formula to a problem of Markov process is adopted. Then it is shown that, if we assume stationary reaction rate, the usual phenomenological kinetic equation, i.e. the so called law of mass action can be derived as the first order approximation, and as the second order approximation the deviation from the law of mass action is examined. For the general case, in order to obtain the probability of the first reaction in an explicit form, it becomes necessary to solve. the multidimensional diffusion equation with pair absorbing interactions, which is calculated using the binary collision expansion method.