Self-association of naphthalene at the air-ice interface

D. Ardura, T. F. Kahan, D. J. Donaldson

Research output: Contribution to journalArticle

33 Scopus citations

Abstract

We present a molecular dynamics study of the interactions between two molecules of naphthalene present at air-water versus air-ice interfaces. In agreement with the inference from our previous experimental work [Kahan, T. F.; Donaldson, D. J. J. Phys. Chem. A 2007, 111, 1277], the results suggest that self-association of the molecules is more likely to take place on the ice surface than on the water surface. A shorter average distance between the two naphthalene molecules, in conjunction with a stronger interaction energy and free energy of association, point to a stronger tendency to self-associate on ice than on water. The distinct behavior at the two interfaces appears be due to more favorable interactions between naphthalene molecules on liquid water surfaces than on ice surfaces.

Original languageEnglish (US)
Pages (from-to)7353-7359
Number of pages7
JournalJournal of Physical Chemistry A
Volume113
Issue number26
DOIs
StatePublished - Jul 2 2009

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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