期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 119, 期 11, 页码 6009-6017出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp511726a
关键词
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资金
- ICoME2 LabEx project [ANR-11-LABX-0053]
- A*MIDEX project [ANR-11-IDEX-0001-02]
- French program Investissements d'Avenir
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.
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