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- W1992257003 abstract "The distribution and dynamics of alkali cations inside Na−AOT reverse micelles have been investigated using Monte Carlo and molecular dynamics simulations. Water is modeled using the extended simple point charge (SPC/E) model. Simulations were carried out for alkali salts of Li+, Na+, K+, and Cs+ placed into the aqueous core of the reverse micelle, for situations corresponding to one and three molecules of added salt. In all cases, we observe that the larger K+ and Cs+ ions exchange with the Na+ counterion; however, the smaller Li+ ion prefers to remains solvated within the core of the reverse micelle. Our study reveals that the oil−water interface of the Na−AOT reverse micelle has the greatest selectivity toward Cs+ followed by K+ and Li+. A model based on enthalpic contributions illustrates that the solvation energies of the different cations in water control the ion-exchange process. The hydration number of the first water shell for Li+ situated in the aqueous core of the reverse micelle with radius R = 14.1 Å was similar to that observed at infinite dilution in bulk water." @default.
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- W1992257003 date "2004-12-22" @default.
- W1992257003 modified "2023-09-26" @default.
- W1992257003 title "Ion Exchange in Reverse Micelles" @default.
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- W1992257003 doi "https://doi.org/10.1021/la048771u" @default.
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