POLYATOMIC FLUIDS NEAR SOLID-SURFACES - A WEIGHTED-DENSITY-FUNCTIONAL APPROACH

被引：19

作者：

CHEREPANOVA, TA

STEKOLNIKOV, AV

机构：

[1] Centre of Microelectronics, Latvian Academy of Sciences, Riga

来源：

CHEMICAL PHYSICS | 1991年 / 154卷 / 01期

关键词：

D O I：

10.1016/0301-0104(91)89041-8

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 weighted-density functional method was extended to describe polyatomic inhomogeneous fluids. It is based on the atom-atom approximation of the intermolecular interaction potential. The method has been applied for studying two-dimensional fluids of chain molecules. Density profiles near the hard wall and equations of state were calculated. Results were compared with Monte Carlo computer simulation data and different analytical approaches.

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页码：41 / 53

页数：13

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