@article {181, title = {Predicting Adsorption on Bare and Modified Silica Surfaces}, journal = {The Journal of Physical Chemistry C}, volume = {119}, year = {2015}, month = {Mar-19-2015}, pages = {6009 - 6017}, abstract = {
Abstract Image

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.

}, issn = {1932-7447}, doi = {10.1021/jp511726a}, author = {L{\'e}pinay, Matthieu and Broussous, Lucile and Licitra, Christophe and Bertin, Fran{\c c}ois and Rouessac, Vincent and Ayral, Andre and Benoit A. Coasne} }