4.6 Review Book Chapter

Progress in Modeling of Ion Effects at the Vapor/Water Interface

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ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63
卷 63, 期 -, 页码 401-418

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ANNUAL REVIEWS
DOI: 10.1146/annurev-physchem-032511-143813

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Hofmeister effects; surface tension; molecular simulations; force fields

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The behavior of halide salts at the vapor/water interface has been the focus of a tremendous amount of work in the past ten years. A molecular view of the interface has been introduced with the observation that large anions have some affinity for the interface, but a quantitative description of the driving forces that determine ion adsorption or repulsion at the interface is still missing. This review discusses recent developments that are based on classical and quantum-chemical molecular simulations as well as developments that are based on simple potential models.

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