Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 114, Issue 13, Pages 4595-4600Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp910727e
Keywords
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Funding
- NSF [0448918]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [0448918] Funding Source: National Science Foundation
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We have examined the effect of ionic polarizability on the ion-induced nucleation of water for a broad range of hard-sphere ions. These simulations have shown that polarization has a smaller effect on the nucleation free-energy barrier than it does on the free energies of small clusters and, in some cases, results in higher Gibbs free-energy barriers for the polarizable ions. These findings underscore the importance of considering not only small cluster sizes but the entire nucleation free-energy profile because the free-energy trends at small clusters may not accurately reflect trends in the barrier height.
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