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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 and Maihiuddin, Sekh (2007) Propensity of Formate, Acetate, Benzoate, and Phenolate for the Aqueous Solution/Vapor Interface: Surface Tension Measurements and Molecular Dynamics Simulations. Journal of Physical Chemistry C 111 (23), pp. 8242-8247.

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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 ...

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Item type:Article
Date:2007
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Werner Kunz
Identification Number:
ValueType
10.1021/jp068804+DOI
Keywords:formate acetate benzoate phenolate soln vapor interface surface tension simulation formate acetate benzoate phenolate soln vapor interface
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:24515
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