期刊
JOURNAL OF CHEMICAL PHYSICS
卷 134, 期 8, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3559676
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资金
- Welch Foundation [F-1696]
- David and Lucile Packard Foundation
- National Science Foundation [CBET-0828979]
- Thrust Harry P. Whitworth Endowed Graduate Fellowship in Engineering
Computer simulations are used to test whether a recently introduced generalization of Rosenfeld's excess-entropy scaling method for estimating transport coefficients in systems obeying molecular dynamics can be extended to predict long-time diffusivities in fluids of particles undergoing Brownian dynamics in the absence of interparticle hydrodynamic forces. Model fluids with inverse-power-law, Gaussian-core, and Hertzian pair interactions are considered. Within the generalized Rosenfeld scaling method, long-time diffusivities of ultrasoft Gaussian-core and Hertzian particle fluids, which display anomalous trends with increasing density, are predicted (to within 20%) based on knowledge of interparticle interactions, excess entropy, and scaling behavior of simpler inverse-power-law fluids. (C) 2011 American Institute of Physics. [doi:10.1063/1.3559676]
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