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Surface hopping propagator: An alternative approach to diffusion-influenced reactions
Physical Review E ( IF 2.4 ) Pub Date : 2020-09-16 , DOI: 10.1103/physreve.102.032125
Denis S. Grebenkov

Dynamics of a particle diffusing in a confinement can be seen a sequence of bulk-diffusion-mediated hops on the confinement surface. Here, we investigate the surface hopping propagator that describes the position of the diffusing particle after a prescribed number of encounters with that surface. This quantity plays the central role in diffusion-influenced reactions and determines their most common characteristics such as the propagator, the first-passage time distribution, and the reaction rate. We derive explicit formulas for the surface hopping propagator and related quantities for several Euclidean domains: half-space, circular annuli, circular cylinders, and spherical shells. These results provide the theoretical ground for studying diffusion-mediated surface phenomena. The behavior of the surface hopping propagator is investigated for both “immortal” and “mortal” particles.

中文翻译:

表面跳变传播器:扩散影响反应的另一种方法

可以看到在封闭区域内扩散的粒子动力学,是在封闭表面上一系列体扩散介导的啤酒花的序列。在这里,我们研究了表面跳跃传播器,该传播器描述了与该表面的规定次数相遇后扩散粒子的位置。该数量在受扩散影响的反应中起着核心作用,并决定了它们最常见的特性,例如传播剂,首次通过时间分布和反应速率。我们推导了表面跳变传播器的明确公式以及多个欧几里德域的相关量:半空间,圆形环,圆柱和球形壳。这些结果为研究扩散介导的表面现象提供了理论基础。
更新日期:2020-09-16
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