Surface Hydrophilicity-Dependent Water Adsorption on Mixed Self-Assembled Monolayers of C7-CH3 and C7-COOH Residues. A Grand Canonical Monte Carlo Simulation Study

0365142 - ÚOCHB 2012 RIV US eng J - Článek v odborném periodiku
Szöri, M. - Roeselová, Martina - Jedlovszky, P.
Surface Hydrophilicity-Dependent Water Adsorption on Mixed Self-Assembled Monolayers of C7-CH3 and C7-COOH Residues. A Grand Canonical Monte Carlo Simulation Study.
Journal of Physical Chemistry C. Roč. 115, č. 39 (2011), s. 19165-19177. ISSN 1932-7447. E-ISSN 1932-7455
Grant CEP: GA MŠMT ME09064; GA MŠMT LC512
Výzkumný záměr: CEZ:AV0Z40550506
Klíčová slova: molecular simulation * wetting * soft organic surfaces
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 4.805, rok: 2011

Grand Canonical Monte Carlo (GCMC) simulations are used to study the adsorption and organization of gas-phase water molecules on two-component self-assembled monolayers (SAMs) of eight-carbon alkanethiols bound to a flat virtual carrier, as the character of the SAM surface is changing from completely hydrophobic to completely hydrophilic by randomly replacing methyl-terminated (C7-CH3) alkanethiol chains with carboxylic acid-terminated (C7-COOH) chains.
Trvalý link: http://hdl.handle.net/11104/0200455