MOLECULAR-DYNAMICS STUDY OF STRUCTURE OF CLUSTERS IN SUPERCRITICAL LENNARD-JONES FLUID

Structure of supercritical fluid and its component clusters has been i nvestigated by large-scale and long-time (N = 10,976, t = 1 ns) molecu lar dynamics calculations along an isotherm at T = 1.03 T-c at various densities ranging from gas-like region to liquid-like one. Intra-clus ter radial distribution function, distribution of angle formed by thre e molecules in the cluster, and asphericity parameter distribution fun ction indicated bulky and fractal-like structure of the clusters. Clus ters of the same size in the fluid at different densities showed almos t the same structure independent of the fluid density. (C) 1998 Elsevi er Science B.V.