Abstract
The properties of aliph. and arom. carboxylates and phenolate-mimicking functional groups of humic acid are discussed with regard to their behavior in aq. solns. close to the surface. Both surface tension measurements and MD simulations confirm that Na formate behaves in accord with the classical theory of surfaces of electrolytes, whereas NaOAc and, much more pronounced, NaOBz and Na phenolate ...
Abstract
The properties of aliph. and arom. carboxylates and phenolate-mimicking functional groups of humic acid are discussed with regard to their behavior in aq. solns. close to the surface. Both surface tension measurements and MD simulations confirm that Na formate behaves in accord with the classical theory of surfaces of electrolytes, whereas NaOAc and, much more pronounced, NaOBz and Na phenolate show a more hydrotropic behavior with surface active anions. Further to the surface tension data, the MD results suggest that these hydrotropes are highly oriented at the soln.-vapor interface.
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