Self-diffusion coefficient in smoothed dissipative particle dynamics

被引：33

作者：

Litvinov, Sergey ^{[1
]}

Ellero, Marco ^{[1
,2
]}

Hu, Xiangyu ^{[1
]}

Adams, Nikolaus A. ^{[1
]}

机构：

[1] Tech Univ Munich, Lehrstuhl Aerodynam, D-85747 Garching, Germany

[2] Univ Nacl Educ Distancia, Dept Fis Fundamental, Madrid 28080, Spain

来源：

JOURNAL OF CHEMICAL PHYSICS | 2009年 / 130卷 / 02期

关键词：

liquid theory; molecular dynamics method; self-diffusion; LATTICE-GAS; BOLTZMANN-EQUATION; MOLECULAR-DYNAMICS; GENERAL FORMALISM; COMPLEX FLUIDS; THERMODYNAMICS; HYDRODYNAMICS; FLOWS; SPH;

D O I：

10.1063/1.3058437

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：

Smoothed dissipative particle dynamics (SDPD) is a novel coarse grained method for the numerical simulation of complex fluids. It has considerable advantages over more traditional particle-based methods. In this paper we analyze the self-diffusion coefficient D of a SDPD solvent by using the strategy proposed by Groot and Warren [J. Chem. Phys. 107, 4423 (1997)]. An analytical expression for D in terms of the model parameters is developed and verified by numerical simulations.

引用

页数：4

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