Kovalchuk, K.Landman, MarileMasalova, I.2013-10-152013-10-152013K. 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: 10.1080/01932691.2012.6959550193-2691(print)1532-2351(online)10.1080/01932691.2012.695955http://hdl.handle.net/2263/32063Density 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© 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/ldis20SurfactantsHydrogen bondingSolvationDensity functional theory (DFT)SuccinimidesSurface active agentsHydrationDensity functionalsPreprint Article