A microscopic model of the Stokes-Einstein relation in arbitrary dimension.

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2018-06

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Abstract

The Stokes-Einstein relation (SER) is one of the most robust and widely employed results from the theory of liquids. Yet sizable deviations can be observed for self-solvation, which cannot be explained by the standard hydrodynamic derivation. Here, we revisit the work of Masters and Madden [J. Chem. Phys. 74, 2450-2459 (1981)], who first solved a statistical mechanics model of the SER using the projection operator formalism. By generalizing their analysis to all spatial dimensions and to partially structured solvents, we identify a potential microscopic origin of some of these deviations. We also reproduce the SER-like result from the exact dynamics of infinite-dimensional fluids.

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10.1063/1.5029464

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Charbonneau, Benoit, Patrick Charbonneau and Grzegorz Szamel (2018). A microscopic model of the Stokes-Einstein relation in arbitrary dimension. The Journal of chemical physics, 148(22). p. 224503. 10.1063/1.5029464 Retrieved from https://hdl.handle.net/10161/17394.

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Scholars@Duke

Charbonneau

Patrick Charbonneau

Professor of Chemistry

Professor Charbonneau studies soft matter. His work combines theory and simulation to understand the glass problem, protein crystallization, microphase formation, and colloidal assembly in external fields.


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