Mesoscopic model for solvent dynamics

被引:833
作者
Malevanets, A
Kapral, R
机构
[1] Univ Oxford, Dept Phys, Oxford OX1 3NP, England
[2] Univ Toronto, Dept Chem, Chem Phys Theory Grp, Toronto, ON M5S 3H6, Canada
关键词
D O I
10.1063/1.478857
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
Complex fluids such as polymers in solution or multispecies reacting systems in fluid flows often can be studied only by employing a simplified description of the solvent motions. A stochastic model utilizing a synchronous, discrete-time dynamics with continuous velocities and local multiparticle collisions is developed for this purpose. An H theorem is established for the model and the hydrodynamic equations and transport coefficients are derived. The results of simulations are presented which verify the properties of the model and demonstrate its utility as a hydrodynamics medium for the study of complex fluids. (C) 1999 American Institute of Physics. [S0021-9606(99)52416-1].
引用
收藏
页码:8605 / 8613
页数:9
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