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Updated: Aug 8, 2026

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Thermodynamics predicts how confinement modifies the dynamics of the equilibrium hard-sphere fluid
Jeetain Mittal1, Jeffrey R Errington, Thomas M Truskett
1Department of Chemical Engineering, The University of Texas at Austin, USA.
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.
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