Projected dynamics: Analysis of a chemical reaction model
Projected dynamics: Analysis of a chemical reaction model
复制标题
预计动力学：化学反应模型分析
DOI：
10.1063/1.457556
复制
发表时间：
1989
期刊：
影响因子：
--
通讯作者：
R. Kapral
中科院分区：
文献类型：
--
作者：
Xiao;R. Kapral
研究了在白色噪声源驱动下对称双势阱中势垒穿越动力学的速率过程。描述反应的广义唯象速率定律中的速率核涉及通过投影Fokker-Planck算子的时间演化。研究了投影Fokker-Planck算子的谱性质，并给出了用该算子的本征值和本征函数表示的速率核。数值计算结果表明，正式的结果。结果提供了信息的性质的广义化学速率定律的快速过程。
The rate processes corresponding to barrier crossing dynamics in a symmetric double‐well potential driven by a white‐noise source are investigated. The rate kernels in the generalized phenomenological rate law describing the reaction involve time evolution through a projected Fokker–Planck operator. The spectral properties of the projected Fokker–Planck operator are studied, and the rate kernels are expressed in terms of the eigenvalues and eigenfunctions of this operator. The formal results are illustrated with numerical calculations. The results provide information on the nature of the generalized chemical rate law for fast processes.