4.6 Article

Ion-Induced Nucleation: The Importance of Ionic Polarizability

Journal

JOURNAL OF PHYSICAL CHEMISTRY A
Volume 114, Issue 13, Pages 4595-4600

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/jp910727e

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Funding

  1. NSF [0448918]
  2. Direct For Mathematical & Physical Scien
  3. 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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