AN ANALYTICAL MODEL OF WATER WITH STICKY SPHERES OF TETRAHEDRAL SYMMETRY

被引:6
作者
BLUM, L
VERICAT, F
机构
[1] NATL UNIV LA PLATA,INST FIS LIQUIDOS & SISTEMAS BIOL,RA-1900 LA PLATA,ARGENTINA
[2] NATL UNIV LA PLATA,FAC INGN,DEPT FISICOMATEMAT,RA-1900 LA PLATA,ARGENTINA
关键词
D O I
10.1080/00268979500102381
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A simple potential for the water intermolecular potential, consisting of hard spheres with a point dipole and a narrow attractive potential well with the symmetry of a tetrahedral octupole was proposed sometime ago and studied by Monte Carlo methods. The structure of this very simple model agrees surprisingly well with experimental pair correlation functions. In the sticky potential limit of an infinitely narrow and deep tetrahedral attractive well, this model is solved explicitly in terms of the inverses of three by three matrices. We give full solution of a simplified version without dipole-octupole coupling. We discuss the g(oo)(r) and compare it with the experimental result obtained from neutron diffraction. The agreement here is very encouraging.
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页码:809 / 817
页数:9
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