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Predicting Adsorption on Bare and Modified Silica Surfaces

TitlePredicting Adsorption on Bare and Modified Silica Surfaces
Publication TypeJournal Article
Year of Publication2015
AuthorsLépinay M, Broussous L, Licitra C, Bertin F, Rouessac V, Ayral A, Coasne BA
JournalThe Journal of Physical Chemistry C
Volume119
Issue11
Pagination6009 - 6017
Date PublishedMar-19-2015
ISSN1932-7447
Abstract
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We show that Derjaguin’s theory of adsorption can be used to predict adsorption on bare and modified surfaces using parameters available to simple experiments. Using experiment and molecular simulation of adsorption of various gases on hydroxylated, methylated, and trifluoromethylated silica, this simple parametrization of Derjaguin’s model allows predicting adsorption on any functionalized surface using a minimum set of parameters such as the heat of vaporization of the adsorbate and the Henry constant of the adsorption isotherm. This general yet simple scheme constitutes a powerful tool as it avoids having to carry out tedious and complex adsorption measurements.

DOI10.1021/jp511726a
Short TitleJ. Phys. Chem. C
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