22 research outputs found
Statistical Thermodynamic Model for Surface Tension of Organic and Inorganic Aqueous Mixtures
Statistical Thermodynamic Model for Surface Tension of Aqueous Organic Acids with Consideration of Partial Dissociation
Parameter Interpretation and Reduction for a Unified Statistical Mechanical Surface Tension Model
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, <i>J. Phys. Chem. Lett</i>. <b>2013</b>, <i>4</i>, 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. (<i>J. Phys. Chem. A</i> <b>2013</b>, <i>117</i>, 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 (<i>J. Phys. Chem. B</i> <b>2007</b>, <i>111</i>, 5411–5417)