A computational study of the succinimide derivative surfactant

Kovalchuk, K.; Landman, Marile; Masalova, I.

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dc.contributor.author	Kovalchuk, K.
dc.contributor.author	Landman, Marile
dc.contributor.author	Masalova, I.
dc.date.accessioned	2013-10-15T14:03:48Z
dc.date.available	2013-10-15T14:03:48Z
dc.date.issued	2013
dc.description.abstract	Density functional theory (DFT) of calculations was used to optimize the molecular structures of a succinimide surfactant at B3LYP/6-311 level. The interaction of the surfactant with water molecules was investigated. The hydration shell was formed in the form of Hbonds between the hydrophilic group on the surfactant and water molecules. The binding energy of the system increases due to hydrogen bond formation with the water molecules.	en
dc.description.librarian	hb2013	en
dc.description.librarian	ai2014
dc.description.uri	http://www.tandfonline.com/loi/ldis20	en
dc.identifier.citation	K. Kovalchuk , M. Landman & I. Masalova (2013) A computational study of the succinimide derivative surfactant, Journal of Dispersion Science and Technology, 34:6, 778-784, DOI: 10.1080/01932691.2012.695955	en
dc.identifier.issn	0193-2691(print)
dc.identifier.issn	1532-2351(online)
dc.identifier.other	10.1080/01932691.2012.695955
dc.identifier.uri	http://hdl.handle.net/2263/32063
dc.language.iso	en	en
dc.publisher	Taylor & Francis	en
dc.rights	© Taylor & Francis. This is an electronic version of an article published in Journal of Dispersion Science and Technology, vol. 34, no. 6, pp. 778-784, 2013. Journal of Dispersion Science and Technology is available online at : http://www.tandfonline.com/loi/ldis20	en
dc.subject	Surfactants	en
dc.subject	Hydrogen bonding	en
dc.subject	Solvation	en
dc.subject	Density functional theory (DFT)	en
dc.subject.lcsh	Succinimides	en
dc.subject.lcsh	Surface active agents	en
dc.subject.lcsh	Hydration	en
dc.subject.lcsh	Density functionals	en
dc.title	A computational study of the succinimide derivative surfactant	en
dc.type	Preprint Article	en