Parameter Interpretation and Reduction for a Unified Statistical Mechanical Surface Tension Model

Hallie Boyer, Anthony Wexler, Cari S. Dutcher

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


Surface properties of aqueous solutions are important for environments as diverse as atmospheric aerosols and biocellular membranes. Previously, we developed a surface tension model for both electrolyte and nonelectrolyte aqueous solutions across the entire solute concentration range (Wexler and Dutcher, J. Phys. Chem. Lett. 2013, 4, 1723-1726). The model differentiated between adsorption of solute molecules in the bulk and surface of solution using the statistical mechanics of multilayer sorption solution model of Dutcher et al. (J. Phys. Chem. A 2013, 117, 3198-3213). The parameters in the model had physicochemical interpretations, but remained largely empirical. In the current work, these parameters are related to solute molecular properties in aqueous solutions. For nonelectrolytes, sorption tendencies suggest a strong relation with molecular size and functional group spacing. For electrolytes, surface adsorption of ions follows ion surface-bulk partitioning calculations by Pegram and Record (J. Phys. Chem. B 2007, 111, 5411-5417).

Original languageEnglish (US)
Pages (from-to)3384-3389
Number of pages6
JournalJournal of Physical Chemistry Letters
Issue number17
StatePublished - Jul 30 2015

Bibliographical note

Publisher Copyright:
© 2015 American Chemical Society.

How much support was provided by MRSEC?

  • Shared

PubMed: MeSH publication types

  • Journal Article
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.


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