On extrapolation of virial coefficients of hard spheres

被引:9
|
作者
Oncak, M. [1 ]
Malijevsky, A. [1 ,2 ]
Kolafa, J. [1 ]
Labik, S. [1 ]
机构
[1] Inst Chem Technol, Dept Phys Chem, CR-16628 Prague 6, Czech Republic
[2] Univ Ostrava, Dept Phys, Fac Sci, CZ-70103 Ostrava 1, Czech Republic
关键词
hard spheres; virial coefficients; extrapolation methods; VORONOI POLYHEDRA; SIMPLE-MODELS; PERCOLATION TRANSITION; ASSOCIATING FLUIDS; PRIMITIVE MODELS; LOCAL-STRUCTURE; WATER; AMMONIA; CLUSTERS; METHANOL;
D O I
10.5488/CMP.15.23004
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Several methods of extrapolating the virial coefficients, including those proposed in this work, are discussed. The methods are demonstrated on predicting higher virial coefficients of one-component hard spheres. Estimated values of the eleventh to fifteenth virial coefficients are suggested. It has been speculated that the virial coefficients, B-n, beyond B-14 may decrease with increasing n, and may reach negative values at large n. The extrapolation techniques may be utilized in other fields of science where the art of extrapolation plays a role.
引用
收藏
页数:16
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