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.