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 |
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Pages (from-to) | 8022-8025 |
Number of pages | 4 |
Journal | Journal of the American Chemical Society |
Volume | 137 |
Issue number | 25 |
DOIs | |
Publication status | Published - 2015 Jul 1 |
ASJC Scopus subject areas
- Catalysis
- Chemistry(all)
- Biochemistry
- Colloid and Surface Chemistry