平行硬壁间荷电硬球流体的密度泛函理论研究

基于经典流体的密度泛函理论并结合改进的基本度量理论, 研究了受限于平行硬壁间的荷电硬球流体的平衡密度分布. 通过对比有、无外电场时分子数密度分布的相应变化情况, 分析了荷电硬球分子间的库仑排斥势能与场致势能间的竞争作用, 研究了电场对于受限荷电硬球流体系统聚集态结构的影响.

Density Functional Theory on the Charged Hard-sphere Fluid Confined in Parallel Plates

Based on density-functional theory and the modified fundamental measure theory for the classical fluid, the equilibrium density distribution of charged hard-sphere fluid confined in parallel plates was studied. By comparing the density distributions in the case of with and without applied electric field, the effect of the electric field on the molecular density is presented. It is shown that the competition between the Coulomb′s interaction and the field-induced potential energy plays an important role in the aggregated state of charged hard-sphere fluid. The corresponding results can provide helpful clues for understanding quantitatively the properties of plasmas, ionic liquids and electrolyte solutions confined in mesoscopic scale.