A computational study of the succinimide derivative surfactant
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Date
Authors
Kovalchuk, K.
Landman, Marile
Masalova, I.
Journal Title
Journal ISSN
Volume Title
Publisher
Taylor & Francis
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.
Description
Keywords
Surfactants, Hydrogen bonding, Solvation, Density functional theory (DFT)
Sustainable Development Goals
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