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arxiv: cond-mat/0512127 · v2 · submitted 2005-12-06 · ❄️ cond-mat.stat-mech · cond-mat.mtrl-sci· cond-mat.soft

Thermodynamics predicts how confinement modifies hard-sphere dynamics

classification ❄️ cond-mat.stat-mech cond-mat.mtrl-scicond-mat.soft
keywords dynamicsconfinemententropyfluidhard-spheremodifiesthermodynamicsaffects
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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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