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Trapping of diffusing particles by clusters of absorbing disks on a reflecting wall with disk centers on sites of a square lattice

机译:反射壁上的吸收圆盘簇捕获散射粒子圆盘中心位于方格的位置

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摘要

A simple approximate formula is derived for the rate constant that describes steady-state flux of diffusing particles through a cluster of perfectly absorbing disks on the otherwise reflecting flat wall, assuming that the disk centers occupy neighboring sites of a square lattice. A distinctive feature of trapping by a disk cluster is that disks located at the cluster periphery shield the disks in the center of the cluster. This competition of the disks for diffusing particles makes it impossible to find an exact analytical solution for the rate constant in the general case. To derive the approximate formula, we use a recently suggested approach , which is based on the replacement of the disk cluster by an effective uniform partially absorbing spot. The formula shows how the rate constant depends on the size and shape of the cluster. To check the accuracy of the formula, we compare its predictions with the values of the rate constant obtained from Brownian dynamics simulations. The comparison made for 18 clusters of various shapes and sizes shows good agreement between the theoretical predictions and numerical results.
机译:对于速率常数,可以得出一个简单的近似公式,该公式描述了扩散粒子通过在否则反射的平坦壁上的一组完美吸收的圆盘的稳态粒子通量,假设圆盘中心占据了方格的相邻位置。磁盘群集捕获的一个显着特征是,位于群集外围的磁盘会屏蔽群集中心的磁盘。圆盘在扩散粒子方面的竞争使得在一般情况下无法找到速率常数的精确解析解。为了得出近似公式,我们使用一种最近建议的方法,该方法基于以有效的均匀部分吸收光斑代替磁盘簇。该公式显示速率常数如何取决于簇的大小和形状。为了检查公式的准确性,我们将其预测与从布朗动力学模拟获得的速率常数的值进行比较。对18个形状和大小各异的簇进行的比较表明,理论预测和数值结果之间具有很好的一致性。

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