期刊
JOURNAL OF CHEMICAL PHYSICS
卷 156, 期 2, 页码 -出版社
AIP Publishing
DOI: 10.1063/5.0075002
关键词
-
资金
- Auburn University Easley Cluster - Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) [274340645, 405552959, NI 1487/7-1]
We studied self-diffusion and sedimentation in colloidal suspensions of nearly hard spheres using the MD+MPCD simulation method. The results suggest that MD+MPCD provides a reasonable description of hydrodynamic interactions in colloidal suspensions and can be conveniently extended to more complex shapes.
We study self-diffusion and sedimentation in colloidal suspensions of nearly hard spheres using the multiparticle collision dynamics simulation method for the solvent with a discrete mesh model for the colloidal particles (MD+MPCD). We cover colloid volume fractions from 0.01 to 0.40 and compare the MD+MPCD simulations to experimental data and Brownian dynamics simulations with free-draining hydrodynamics (BD) as well as pairwise far-field hydrodynamics described using the Rotne-Prager-Yamakawa mobility tensor (BD+RPY). The dynamics in MD+MPCD suggest that the colloidal particles are only partially coupled to the solvent at short times. However, the long-time self-diffusion coefficient in MD+MPCD is comparable to that in experiments, and the sedimentation coefficient in MD+MPCD is in good agreement with that in experiments and BD+RPY, suggesting that MD+MPCD gives a reasonable description of hydrodynamic interactions in colloidal suspensions. The discrete-particle MD+MPCD approach is convenient and readily extended to more complex shapes, and we determine the long-time self-diffusion coefficient in suspensions of nearly hard cubes to demonstrate its generality.
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