Mechanism and dynamics of ion transfer across a liquid-liquid interface

Journal Article · Fri Sep 17 00:00:00 EDT 1993 · Science (Washington, D.C.); (United States)

DOI:https://doi.org/10.1126/science.261.5128.1558· OSTI ID:5064988

Benjamin, I ^[1]

---

1. Univ. of California, Santa Cruz, CA (United States)

A detailed molecular model for ion transfer across the interface between water and 1,2-dichloroethane provides insight into the mechanism of the transfer across the interface between two immiscible liquids. Extensive molecular dynamics computer simulations underscore the roles of surface roughness and capillary distortions in this process, demonstrate that ion transfer is an activated rather than a simple diffusive process, and provide a test for the applicability of theoretical models.

• OSTI ID: 5064988
• Journal Information: Science (Washington, D.C.); (United States), Vol. 261:5128; ISSN 0036-8075
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
CHARGED-PARTICLE TRANSPORT
MOLECULAR MODELS
INTERFACES
LIQUIDS
COMPUTERIZED SIMULATION
FLUIDS
MATHEMATICAL MODELS
RADIATION TRANSPORT
SIMULATION
400201* - Chemical & Physicochemical Properties
990200 - Mathematics & Computers