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Assessing corrections to the Fick-Jacobs equation

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Abstract

We utilize macrotransport theory to compute the effective diffusion coefficient of a point-sized particle in a periodic channel of slowly varying cross-section to the second order in the long-wavelength limit. This asymptotic result serves as a benchmark test for the respective modifications of the Fick- Jacobs equation proposed by Zwanzig [J. Phys. Chem. 96, 3926 (1992)], Reguera and Rubi [Phys. Rev. E 64, 061106 (2001)], and Kalinay and Percus [Phys. Rev. E 74, 041203 (2006)]. While all three modifications result in an identical effective diffusivity at first order, only the model proposed by Kalinay and Percus agrees at second order with our asymptotic result.

Original languageEnglish
Article number044118
JournalJournal of Chemical Physics
Volume141
Issue number4
DOIs
StatePublished - 28 Jul 2014

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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