English

Thermodynamics predicts how confinement modifies hard-sphere dynamics

Statistical Mechanics 2007-05-23 v2 Materials Science Soft Condensed Matter

Abstract

We study how confining the equilibrium hard-sphere fluid to restrictive one- and two-dimensional channels with smooth interacting walls modifies its structure, dynamics, and entropy using molecular dynamics and transition-matrix Monte Carlo simulations. Although confinement strongly affects local structuring, the relationships between self-diffusivity, excess entropy, and average fluid density are, to an excellent approximation, independent of channel width or particle-wall interactions. Thus, thermodynamics can be used to predict how confinement impacts dynamics.

Keywords

Cite

@article{arxiv.cond-mat/0512127,
  title  = {Thermodynamics predicts how confinement modifies hard-sphere dynamics},
  author = {Jeetain Mittal and Jeffrey R. Errington and Thomas M. Truskett},
  journal= {arXiv preprint arXiv:cond-mat/0512127},
  year   = {2007}
}

Comments

4 pages, 4 figures