Kinetics of chemical reactions in condensed media in the framework of the two-dimensional stochastic model

Kinetics of chemical reactions in condensed media in the framework of the two-dimensional stochastic model
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二维随机模型框架下凝聚态介质中化学反应动力学

DOI:
10.1021/j100387a020
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发表时间:
1990
期刊:
The Journal of Physical Chemistry
影响因子:
--
通讯作者:
N. Weinberg
N. Weinberg
中科院分区:
--
文献类型:
--
作者:
M. V. Basilevskii;V. M. Ryaboi;N. Weinberg

文献摘要

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将连续介质中的化学反应过程建模为具有δ相关随机力的一对随机方程。给出了一种准一维近似计算速率常数的数值方法。精确的速率常数可以在广泛的系统特征参数范围内找到。证实了Berezhkovskii和Zitserman先前预测的具有非平衡动力学行为的重要区域的存在。此外,非平衡速率常数不仅可以描述准一维动力学的极值,还可以描述完全二维运动方程的情况
A chemical reaction proceeding in a continuum medium is modeled as a pair of stochastic equations with a δ-correlated random force. A numerical method for calculating the rate constant is elaborated in a quasi-one-dimensional approximation. Exact rate constants are found over a wide range of characteristic system parameters. The existence of a significant region with a nonequilibrium kinetic behavior, as predicted previously by Berezhkovskii and Zitserman, is confirmed. Moreover, the nonequilibrium rate constant is shown to describe not only the extreme of quasi-one-dimensional dynamics but also the case when the complete two-dimensional equation of motion operates