论文标题
表面跳繁殖器：一种替代扩散影响反应的方法
Surface Hopping Propagator: An Alternative Approach to Diffusion-Influenced Reactions
论文作者
论文摘要
可以看到粒子扩散在限制中的动力学，可以看到一系列在限制表面上的散装扩散介导的啤酒花。在这里，我们研究了表面跳跃的传播器，该传播器描述了与该表面的相遇数量后的扩散粒子的位置。该量在受扩散影响的反应中起着核心作用，并确定其最常见的特征，例如传播器，第一-Passage时间分布和反应速率。我们为表面跳跃繁殖物的明确公式和几个欧几里得域的相关量提供了明确的公式：半空间，圆形环，圆形圆柱体和球形壳。这些结果为研究扩散介导的表面现象提供了理论基础。研究了“不朽”和“致命”颗粒的表面跳跃传播器的行为。
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.
