布朗运动
空格(标点符号)
扩散
密闭空间
相空间
粒子(生态学)
聚合
统计物理学
聚合物
布朗动力学
化学物理
反常扩散
物理
经典力学
化学
量子力学
计算机科学
知识管理
海洋学
创新扩散
有机化学
核磁共振
地质学
操作系统
标识
DOI:10.1021/acs.jpcb.2c03976
摘要
The rate at which a Brownian particle confined in a closed space escapes from the space by passing through a narrow passage is called the escape rate. The escape rate is relevant to many diffusion limited processes in polymer and colloidal systems, such as colloidal aggregation, polymerization reaction, polymer translocation through a membrane, etc. Here, we propose a variational principle to calculate the escape rate of complex molecules doing Brownian motion in a multi-dimensional phase space. We propose a regional minimization method in which we divide the whole phase space into regions, conduct the minimization for each region, and combine the results to get the minimum in the entire space. As an example, we discuss (1) the escape rate of a point particle that escapes from a confinement passing through a long corridor and (2) the escape rate of a rod-like particle that escapes through a small hole made in the wall of the confinement.
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