nth-Nearest neighbour distribution functions of a binary fluid mixture †

摘要: For obtaining microscopic structural information in binary mixtures, often partial pair correlation functions are used. In the present study, a general approach is presented for neighbourhood mixtures terms of nth nearest neighbour distribution (NND) (for n = 1, 2, 3, …). These derived from hierarchical manner, based on adopted earlier by us single component fluids. Comparison results with MD simulation Lennard-Jones also presented. NND show reasonable matching smaller values particularly at higher density. The average distance shows interesting feature.