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Title: A computational study of the succinimide derivative surfactant
Authors: Kovalchuk, KS
Landman, M
Masalov, IA
Keywords: DFT;hydrogen bonding;solvation;surfactants
Issue Date: 2013
Source: Kovalchuk, K., Landman, M., & Masalova, I. (2013). A computational study of the succinimide derivative surfactant. Journal of Dispersion Science and Technology, 34(6), 778-784.
Abstract: Density functional theory 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 H-bonds 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.
Appears in Collections:Eng - Journal articles (DHET subsidised)

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