| Literature DB >> 26057005 |
Nobuaki Kikkawa1, Lingjian Wang1, Akihiro Morita1,2.
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.Entities:
Year: 2015 PMID： 26057005 DOI： 10.1021/jacs.5b04375
Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419