Interaction of ethanol and water with the {1014} surface of calcite

Molecular dynamics simulations have been used to model the interaction between ethanol, water, and the {1014} surface of calcite. Our results demonstrate that a single ethanol molecule is able to form two interactions with the mineral surface (both Ca-O and O-H), resulting in a highly ordered, stabl...

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Bibliographische Detailangaben
Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1992. - 26(2010), 18 vom: 21. Sept., Seite 14520-9
1. Verfasser: Cooke, D J (VerfasserIn)
Weitere Verfasser: Gray, R J, Sand, K K, Stipp, S L S, Elliott, J A
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2010
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Water 059QF0KO0R Ethanol 3K9958V90M Calcium Carbonate H0G9379FGK