Netz, Roland R. and Horinek, Dominik (2012) Progress in Modeling of Ion Effects at the Vapor/Water Interface. In: UNSPECIFIED Annual Review of Physical Chemistry,, 63 . ANNUAL REVIEWS, PALO ALTO, pp. 401-418. ISBN 978-0-8243-1063-9
Full text not available from this repository. (Request a copy)Abstract
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.
| Item Type: | Book Section |
|---|---|
| Uncontrolled Keywords: | MOLECULAR-DYNAMICS SIMULATIONS; DENSITY-FUNCTIONAL THEORY; SOLVATION FREE-ENERGIES; SURFACE-TENSION; AQUEOUS-SOLUTIONS; AIR/WATER INTERFACE; LIQUID INTERFACE; FORCE-FIELD; VIBRATIONAL SPECTROSCOPY; ELECTROLYTE-SOLUTIONS; Hofmeister effects; surface tension; molecular simulations; force fields |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Dominik Horinek |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 22 Jul 2020 09:52 |
| Last Modified: | 22 Jul 2020 09:52 |
| URI: | https://pred.uni-regensburg.de/id/eprint/19487 |
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