| Autor: |
D. Wick, Collin, X. Dang, Liem |
| Zdroj: |
The Journal of Physical Chemistry - Part C; January 2008, Vol. 112 Issue: 3 p647-649, 3p |
| Abstrakt: |
Molecular dynamics simulations were carried out to study the transfer of cesium and chloride ions across the H2O-1,2-dichloroethane (DCE) interface. The free energy of transfer for the ions agreed very well with experiment. In addition, cesium had a free energy minimum near the H2O-DCE interface, showing a propensity for the aqueous region near the H2O-DCE interface. However, the density and free energy profile for the chloride ion showed it was somewhat repelled from the H2O-DCE interface. We found that DCE had an average interfacial orientation that resulted in unfavorable interactions with anions but favorable ones with cations, causing the observed ion interfacial behavior. This study shows that DCE has favorable interfacial properties for cation extraction, but less favorable ones for chloride ion extraction. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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