Transfer of CH4 across the H2O-CCl4 liquid-liquid interface with polarizable potential models

Chang, Tsun-Mei; Dang, Liem X.

doi:10.1016/S0009-2614(96)01194-3

Transfer of CH4 across the H2O-CCl4 liquid-liquid interface with polarizable potential models

Journal Article · Fri Dec 06 04:00:00 EST 1996 · Chemical Physics Letters

DOI:https://doi.org/10.1016/S0009-2614(96)01194-3· OSTI ID:1771322

Chang, Tsun-Mei ^[1]; Dang, Liem X. ^[2]

ASSOC WESTERN UNIVERSITY
BATTELLE (PACIFIC NW LAB)

Molecular dynamics simulations are carried out to investigate the free energy profile of transferring a methane molecule across the H2O-CCl4 liquid-liquid interface.

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1771322

Report Number(s):: PNNL-SA-27864

Journal Information:: Chemical Physics Letters, Journal Name: Chemical Physics Letters Journal Issue: 1-2 Vol. 263

Country of Publication:: United States

Language:: English

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