Dynamics of short polymer chains in solution

被引：166

作者：

Malevanets, A ^{[1
]}

Yeomans, JM ^{[1
]}

机构：

[1] Univ Oxford, Dept Phys, Oxford OX1 3NP, England

来源：

EUROPHYSICS LETTERS | 2000年 / 52卷 / 02期

关键词：

D O I：

10.1209/epl/i2000-00428-0

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present numerical and analytical results describing the effect of hydrodynamic interactions on the dynamics of a short polymer chain in solution. A molecular dynamics algorithm for the polymer is coupled to a direct simulation Monte Carlo algorithm for the solvent. We give an explicit expression for the velocity autocorrelation function of the centre of mass of the polymer which agrees well with numerical results if Brownian dynamics, hydrodynamic correlations and sound wave scattering are included.

引用

页码：231 / 237

页数：7

共 11 条

[1] Simulation of a single polymer chain in solution by combining lattice Boltzmann and molecular dynamics [J].