Supplement
收藏资源简介:
The Supplementary Material contains Poisson-Boltzmann and Helmholtz-Smoluchowski equations; force field parameters; analysis of properties, and structure of bulk NaCl solution (density, radial distribution function, cation hydration number, diffusivity, viscosity, and ionic conductiv- ity); comparison of equilibrium and non-equilibrium MD in properties of confined NaCl solution (electroosmotic mobility, zeta potential, and streaming potential coupling coefficient); values of computed properties of the homogeneous and confined solution (PDF).
本补充材料包含泊松-玻尔兹曼(Poisson-Boltzmann)方程与亥姆霍兹-斯莫卢霍夫斯基(Helmholtz-Smoluchowski)方程、力场参数;对本体氯化钠溶液的结构与各项性质展开了分析,涵盖密度、径向分布函数、阳离子水化数、扩散系数、黏度及离子电导率;对比了平衡与非平衡分子动力学(MD)在受限氯化钠溶液性质表征中的应用结果,涉及电渗迁移率、ζ电势(zeta potential)与流动电势耦合系数;同时提供了均相与受限氯化钠溶液的计算性质数值(PDF)。



