Molecular Dynamics Studies of Two Particles in a Rectangular Box: Hard-Sphere and Square-Well Interactions

被引：0

作者：

Soong-Hyuck Suh

Jae-Wook Lee

Hee Moon

James M. D. Macelroy

机构：

[1] Keimyung University,Department of Chemical Engineering

[2] Seonam University,Department of Chemical Engineering

[3] Chonnam National University,Faculty of Applied Chemistry

[4] University College Dublin,Centre for Synthesis and Chemical Biology, the Conway Institute of Biomolecular and Biomedical Research, Department of Chemical Engineering

来源：

Adsorption | 2005年 / 11卷

关键词：

molecular dynamics simulation; finite few-body system; hard-sphere; square-well;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Molecular dynamics simulations have been carried out for the simple few-body systems of two particles confined within a 2-dimensional rectangular box. The two different sets of interaction potentials between the colliding particles were employed in these studies: hard-sphere and square-well interactions. Wall pressures, the wall/particle and the particle/particle collision frequencies, and the position autocorrelation functions were computed to examine the thermodynamic, structural and time-dependent properties of such systems. Detailed dynamic effects are discussed to describe configurational particle trajectories including fast/slow relaxation processes observed in the position autocorrelation functions.

引用

页码：373 / 378

页数：5

共 41 条

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