Halide affinity for the water-air interface in aqueous solutions of mixtures of sodium salts

Ivan Gladich, Paul B. Shepson, Marcelo A. Carignano*, Igal Szleifer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

The water-air interface plays a critical role in many physical and chemical processes of the Earth's atmosphere. In particular, heavy halide ions are strongly involved in processes of fundamental importance in determining the prevalence of many atmospheric components through heterogeneous reactions at the water-air interface. In this work, molecular dynamics simulations are used to study the halide enhancements at the water-air interface in the case of mixtures of Cl-, Br-, and I- ions. The results show a pattern of enhancement directly correlated to the anion polarizability. This effect is explained in terms of the charge distribution across the slab resembling an electrical double layer. As a result, the anions with higher polarizability lower the system's potential energy by enhancing their presence at the interface.

Original languageEnglish (US)
Pages (from-to)5895-5899
Number of pages5
JournalJournal of Physical Chemistry A
Volume115
Issue number23
DOIs
StatePublished - Jun 16 2011

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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