Bulk dynamics of Brownian hard disks: Dynamical density functional theory versus experiments on two-dimensional colloidal hard spheres

被引:22
作者
Stopper, Daniel [1 ]
Thorneywork, Alice L. [2 ,3 ]
Dullens, Roel P. A. [2 ]
Roth, Roland [1 ]
机构
[1] Univ Tubingen, Inst Theoret Phys, D-72076 Tubingen, Germany
[2] Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, South Parks Rd, Oxford OX1 3QZ, England
[3] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England
基金
英国工程与自然科学研究理事会;
关键词
STATISTICAL-MECHANICS; FLUID; HETEROGENEITIES; FLUCTUATIONS;
D O I
10.1063/1.5019447
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
Using dynamical density functional theory (DDFT), we theoretically study Brownian self-diffusion and structural relaxation of hard disks and compare to experimental results on quasi two-dimensional colloidal hard spheres. To this end, we calculate the self-van Hove correlation function and distinct van Hove correlation function by extending a recently proposed DDFT-approach for three-dimensional systems to two dimensions. We find that the theoretical results for both self-part and distinct part of the van Hove function are in very good quantitative agreement with the experiments up to relatively high fluid packing fractions of roughly 0.60. However, at even higher densities, deviations between the experiment and the theoretical approach become clearly visible. Upon increasing packing fraction, in experiments, the short-time self-diffusive behavior is strongly affected by hydrodynamic effects and leads to a significant decrease in the respective mean-squared displacement. By contrast, and in accordance with previous simulation studies, the present DDFT, which neglects hydrodynamic effects, shows no dependence on the particle density for this quantity. Published by AIP Publishing.
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页数:7
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