Time and length scales for diffusion in liquids

被引：16

作者：

Berezhkovskii, A.M. ^{[1
,3
]}

Sutmann, G. ^{[2
]}

机构：

[1] Center for Information Technology, National Institutes of Health, Bethesda, MD 20892

[2] Ctrl. Inst. for Applied Mathematics, John Von Neumann Inst. for Computing, Research Centre Jülich, D-52425 Jülich, Germany

[3] Karpov Inst. of Physical Chemistry, Ul. Vorontsovo Pole 10, 103064, Moscow K-64, Russia

来源：

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics | 2002年 / 65卷 / 06期

关键词：

Argon - Computer simulation - Integration - Mathematical models - Molecular dynamics - Potential energy - Problem solving - Vectors;

D O I：

10.1103/PhysRevE.65.060201

中图分类号：

学科分类号：

摘要：

The first six even moments of the displacement of a molecule in water and an atom in liquid argon are found by molecular dynamics simulations and compared with the moments predicted by diffusion theory. We find a noticeable difference between the moments higher than the second. The ratio between predicted and calculated moments approaches unity as 1/t for times larger than 10 ps. Continuous time random walk is used to explain this slow approach of the moments to their diffusion limit. ©2002 The American Physical Society.

引用

页码：1 / 060201