Shear thinning of nanoparticle suspensions

被引:25
|
作者
in't Veld, Pieter J. [1 ,2 ]
Petersen, Matt K. [1 ]
Grest, Gary S. [1 ]
机构
[1] Sandia Natl Labs, Albuquerque, NM 87185 USA
[2] BASF SE, D-67056 Ludwigshafen, Germany
来源
PHYSICAL REVIEW E | 2009年 / 79卷 / 02期
基金
美国能源部;
关键词
colloids; gels; Lennard-Jones potential; liquid theory; molecular dynamics method; nanoparticles; solvent effects; suspensions; viscosity; MOLECULAR-DYNAMICS; VISCOSITY; MODEL; RHEOLOGY; DISPERSIONS; SIMULATIONS; DIFFUSION;
D O I
10.1103/PhysRevE.79.021401
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
Results of large scale nonequilibrium molecular dynamics simulations are presented for nanoparticles in an explicit solvent. The nanoparticles are modeled as a uniform distribution of Lennard-Jones particles, while the solvent is represented by standard Lennard-Jones particles. We present results for the shear rheology of spherical nanoparticles of diameter 10 times that of the solvent for a range of nanoparticle volume fractions. By varying the strength of the interactions between nanoparticles and with the solvent, this system can be used to model colloidal gels and glasses as well as hard spherelike nanoparticles. Effect of including the solvent explictly is demonstrated by comparing the pair correlation function of nanoparticles to that in an implicit solvent. The shear rheology for dumbbell nanoparticles made of two fused spheres is similar to that of single nanoparticle.
引用
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页数:4
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