Abstract
Computer simulations are used to test whether a recently introduced generalization of Rosenfelds 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.
| Original language | English |
|---|---|
| Article number | 081101 |
| Journal | Journal of Chemical Physics |
| Volume | 134 |
| Issue number | 8 |
| DOIs | |
| State | Published - Feb 28 2011 |
Fingerprint
Dive into the research topics of 'Communication: Generalizing Rosenfelds excess-entropy scaling to predict long-time diffusivity in dense fluids of Brownian particles: From hard to ultrasoft interactions'. Together they form a unique fingerprint.Cite this
- APA
- Author
- BIBTEX
- Harvard
- Standard
- RIS
- Vancouver