A Computational Study of the Succinimide Derivative Surfactant

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.