Integral equations theory for two-dimensional systems involving nanoparticles

被引：8

作者：

Borowko, Malgorzata ^{[1
]}

Rzysko, Wojciech ^{[1
]}

Sokolowski, Stefan ^{[1
]}

Staszewski, Tomasz ^{[1
]}

机构：

[1] Marie Curie Sklodowska Univ, Dept Modeling Physicochem Proc, Lublin, Poland

来源：

MOLECULAR PHYSICS | 2017年 / 115卷 / 9-12期

关键词：

Nanoparticles; integral equations; molecular dynamics; PERCUS-YEVICK EQUATION; MOLECULAR LIQUIDS; HARD-SPHERES; OF-STATE; FLUIDS; COLLOIDS; MODEL; COEFFICIENTS; ADSORPTION; SURFACE;

D O I：

10.1080/00268976.2016.1234079

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：

We employ integral equation approach to describe the angular-dependent correlation functions of two-dimensional systems of selected model of nanoparticles. The numerical calculations are performed without expanding correlation functions into series of orthogonal functions of angles. We also propose reference-averaged Mayer potential to calculate the angular-independent radial distribution functions between nanoparticles. The results of theoretical calculations are compared with molecular dynamics simulation data. [GRAPHICS] .

引用

页码：1065 / 1073

页数：9

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