期刊
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64
卷 64, 期 -, 页码 339-359出版社
ANNUAL REVIEWS
DOI: 10.1146/annurev-physchem-040412-110049
关键词
atmospheric chemistry; interfacial chemistry; specific ion effects; molecular dynamics; dielectric continuum theory
资金
- Direct For Mathematical & Physical Scien [909227] Funding Source: National Science Foundation
- Division Of Chemistry [909227] Funding Source: National Science Foundation
Chemistry occurring at or near the surface of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming increasingly useful for gaining atomic-scale insight into the structure and reactivity of aqueous interfaces in the atmosphere. Here we review simulation studies of atmospherically relevant aqueous liquid-air interfaces, with an emphasis on ions that play important roles in the chemistry of atmospheric aerosols. In addition to surveying results from simulation studies, we discuss challenges to the refinement and experimental validation of the methodology for simulating ion adsorption to the air-water interface and recent advances in elucidating the driving forces for adsorption. We also review the recent development of a dielectric continuum theory capable of reproducing simulation and experimental data on ion behavior at aqueous interfaces.
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