Microscopic Barrier Mechanism of Ion Transport through Liquid-Liquid Interface

Nobuaki Kikkawa, Lingjian Wang, Akihiro Morita

Research output: Contribution to journalArticlepeer-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 languageEnglish
Pages (from-to)8022-8025
Number of pages4
JournalJournal of the American Chemical Society
Volume137
Issue number25
DOIs
Publication statusPublished - 2015 Jul 1

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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