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首页> 外文期刊>The Journal of Chemical Physics >SMOLUCHOWSKI-TYPE THEORY OF STOCHASTICALLY GATED DIFFUSION-INFLUENCED REACTIONS
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SMOLUCHOWSKI-TYPE THEORY OF STOCHASTICALLY GATED DIFFUSION-INFLUENCED REACTIONS

机译:随机门控扩散影响反应的Smoluchowski型理论

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The Smoluchowski-Collins-Kimball theory of irreversible diffusion-influenced reactions with one of the reactants in excess is generalized to the case of stochastic gating when one of the reactants can be in one of M states. Distinct states are characterized by various efficiencies of the reaction of contacting partners. General expressions are derived for the rate constant and for the survival probability of the reactant which is in deficiency. We present these quantities in terms of the solution of the isolated pair problem. The difference between the cases when gating is due to the reactant, which is in excess, and one, which is in deficiency, is explicitly demonstrated. General relationships between the rate constants and the survival probabilities in the two cases are established. We show. that in the former case the reaction goes faster compared to the latter one. To make the problem treatable analytically in the case when gating is due to the reactant which is in deficiency, a partial mean-field approximation is introduced. General theory is applied to, a particular case of the two-state gating model. Explicit analytical solutions for the time-dependent rate constant and the survival probability are obtained in one dimension. They illustrate the general theory was well as show how the kinetics depends on the jump rate between the two states of the gate in both cases when gating is due to the reactant, which is in excess, and one, which is in deficiency. (C) 1997 American Institute of Physics. [References: 56]
机译:Smoluchowski-Collins-Kimball关于过量反应物之一发生不可逆扩散影响反应的Smoluchowski-Collins-Kimball理论被推广到当一种反应物可能处于M状态之一时随机门控的情况。不同状态的特征是联系伙伴的反应效率各异。对于速率常数和不足的反应物的存活概率,导出了一般表达式。我们根据孤立对问题的解决方案提出这些数量。明确证明了门控是由于反应物过量而导致的两种情况之间的差异。建立了两种情况下速率常数和生存概率之间的一般关系。我们展示。与前者相比,前者的反应进行得更快。为了在门控是由于缺乏反应物而导致的情况下可以分析地解决该问题,引入了部分平均场近似。将通用理论应用于二态门控模型的特定情况。一维获得了与时间相关的速率常数和生存概率的显式解析解。他们说明了一般理论是很好的,并且说明了在两种情况下,浇口是由过量的反应物引起的,而在不足的情况下是由于闸门的两种状态之间的跃迁速率如何影响动力学的。 (C)1997美国物理研究所。 [参考:56]

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