Gavrilov Alexey A, Kramarenko Elena Yu
Physics Department, Lomonosov Moscow State University, Moscow 119991, Russia.
J Chem Phys. 2021 Mar 21;154(11):116101. doi: 10.1063/5.0038440.
In this Note, we study the total conservative force {instead of pure electrostatic force as it was carried out in the work by Gavrilov [J. Chem. Phys. 152, 164101 (2020)]} acting on two charges in a polar liquid using dissipative particle dynamics and coarse-grained molecular dynamics simulations. We show that such force (instead of the electrostatic force) obeys Coulomb's law at large distances between the charges. Apparently, the dielectric response of a polar liquid (at least, within such coarse-grained models) can be decomposed into two contributions: the reorientation of the dipoles (i.e., electrostatic contribution) and the density redistribution (i.e., volume interaction contribution).
在本笔记中，我们使用耗散粒子动力学和粗粒化分子动力学模拟研究了作用于极性液体中两个电荷的总保守力{而不是像加夫里洛夫[《化学物理杂志》152, 164101 (2020)]的工作中那样的纯静电力}。我们表明，这种力（而不是静电力）在电荷间的大距离时服从库仑定律。显然，极性液体的介电响应（至少，在这种粗粒化模型内）可以分解为两种贡献：偶极子的重新取向（即静电贡献）和密度重新分布（即体积相互作用贡献）。
