ORIENTATION OF A MOLECULAR FLUID NEXT TO A HARD-WALL - THE PERCUS-YEVICK THEORY

被引:5
|
作者
QUINTANA, J
HENDERSON, D
HAYMET, ADJ
机构
[1] UNIV UTAH, IBM PARTNERSHIP, UTAH SUPERCOMP INST, SALT LAKE CITY, UT 84112 USA
[2] UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA
[3] UNIV SYDNEY, DEPT PHYS & THEORET CHEM, SYDNEY, NSW 2006, AUSTRALIA
来源
JOURNAL OF CHEMICAL PHYSICS | 1993年 / 98卷 / 02期
关键词
D O I
10.1063/1.464312
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
The Percus-Yevick (PY) equation for inhomogeneous hard linear molecules is presented and solved. Calculations of the density profile are shown. Despite earlier failures of the PY approximation to predict some kinds of angular properties in homogeneous systems, here we find predictions which are qualitatively correct and quantitatively acceptable. In particular, we find that the molecules near the wall lie parallel to the wall.
引用
收藏
页码:1486 / 1492
页数:7
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