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Propensity of Formate, Acetate, Benzoate, and Phenolate for the Aqueous Solution/Vapor Interface: Surface Tension Measurements and Molecular Dynamics Simulations

Minofar, Babak ; Jungwirth, Pavel ; Das, Manash R. ; Kunz, Werner ; Maihiuddin, Sekh



Abstract

The properties of a series of aliphatic and aromatic carboxylates and phenolate-mimicking functional groups of humic acid are discussed with regard to their behavior in aqueous solutions close to the surface. Both surface tension measurements and MD simulations confirm that sodium formate behaves in accord with the classical theory of surfaces of electrolytes, whereas sodium acetate and, much ...

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