Microscopic Barrier Mechanism of Ion Transport through Liquid-Liquid Interface

Nobuaki Kikkawa; Lingjian Wang; Akihiro Morita

doi:10.1021/jacs.5b04375

Microscopic Barrier Mechanism of Ion Transport through Liquid-Liquid Interface

Nobuaki Kikkawa, Lingjian Wang, Akihiro Morita

SCI - Chemistry

Research output: Contribution to journal › Article › peer-review

38 Citations (Scopus)

Abstract

Microscopic mechanism of ion transport through water-oil interface was investigated with molecular dynamics simulation. The formation/breaking of a water finger during the ion passage was explicitly formulated in the free energy surface. The calculated 2D free energy surface clearly revealed a hidden barrier of ion passage accompanied by the water finger. This barrier elucidates the retarded rate of interfacial ion transfer.

Original language	English
Pages (from-to)	8022-8025
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	137
Issue number	25
DOIs	https://doi.org/10.1021/jacs.5b04375
Publication status	Published - 2015 Jul 1

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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10.1021/jacs.5b04375

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abstract = "Microscopic mechanism of ion transport through water-oil interface was investigated with molecular dynamics simulation. The formation/breaking of a water finger during the ion passage was explicitly formulated in the free energy surface. The calculated 2D free energy surface clearly revealed a hidden barrier of ion passage accompanied by the water finger. This barrier elucidates the retarded rate of interfacial ion transfer.",

author = "Nobuaki Kikkawa and Lingjian Wang and Akihiro Morita",

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Microscopic Barrier Mechanism of Ion Transport through Liquid-Liquid Interface

Abstract

ASJC Scopus subject areas

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