Molecular dynamics study of the nano-rheology of n-dodecane confined between planar surfaces

被引:63
作者
Cui, ST [1 ]
McCabe, C
Cummings, PT
Cochran, HD
机构
[1] Univ Tennessee, Dept Chem Engn, Knoxville, TN 37996 USA
[2] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA
[3] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA
[4] Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA
关键词
D O I
10.1063/1.1568084
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
Realistic molecular simulations agree with previously published surface force experiments that n-dodecane confined between mica surfaces displays shear-thinning starting at shear rate orders of magnitude less than in the bulk fluid. We probe the origin of this behavior by studying rotational and diffusional relaxations in the simulated fluid and find a freezing-out of the rotational degrees of freedom and a power-law diffusional relaxation, resulting in over seven orders of magnitude increase in the relaxation time. (C) 2003 American Institute of Physics.
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页码:8941 / 8944
页数:4
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