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.
| Original language | English |
|---|---|
| Article number | 177804 |
| Journal | Physical Review Letters |
| Volume | 96 |
| Issue number | 17 |
| DOIs | |
| State | Published - 2006 |
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