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Theoretical Study of Kaolinite Intercalation by Polar Aprotonic Solvents

Abstract

Theoretical Study of Kaolinite Intercalation by Polar Aprotonic Solvents

Kasprzhitskii A.S., Lazorenko G.I., Yavna V.A.

Incoming article date: 31.08.2015

The paper represents the results of theoretical study of molecules behavior of polar aprotonic solvent dimethyl sulphoxide on basal surfaces and in interpackage space of kaolinite. Spectral and energetic regularities of chemical bond formation are studied. Intercalation of DMSO molecules into interpackage space of kaolinite results in the shift of valence vibrations Si-O into high-frequency zone. It also results in vibration suppression of hydroxyl clusters of gibbsite layer. It proves the appearance of strong hydrogen bond between the molecules of polar aprotonic dissolvent and hydroxyl and siloxane kaolinite surfaces. The paper reveals that adsorption of DMSO molecules decreases the surface energy of kaolinite and enables its organophilicity.

Keywords: "layered aluminosilicates dimethyl sulfoxide, density functional theory, intercalation, hydroxyl surface siloxane surface kaolinite"