Acta Phys. -Chim. Sin. ›› 2009, Vol. 25 ›› Issue (01): 30-34.doi: 10.3866/PKU.WHXB20090106

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Synthesis, Structure and Hydration of Sodium Dioleyl Sulfosuccinate

YU Yan-Chun; XIAO He-Ming   

  1. Molecule and Material Computing Institution, Institute of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China; Institute of Chemical Engineering, Huaihai Institute of Technology, Lianyungang 222005, Jiangsu Province, P. R. China
  • Received:2008-07-01 Revised:2008-10-10 Published:2008-12-31
  • Contact: YU Yan-Chun; XIAO He-Ming;

Abstract: The reaction yield of sodiumdioleyl sulfosuccinate (SDSS) was greatly improved by increasing the sulfonation reaction time, by replenishing NaHSO3 during the reaction and by purifying the product using extraction instead of recrystallization. The geometry and electronic structure of the anionic surfactant SDSS were fully optimized with density functional theory at B3LYP/6-31G* level. The trans isomer was more steady than the cis isomer. This was explained by protein extraction with reversed micelles of SDSS. The interaction between the anionic SDSS with H2O was also calculated at B3LYP/6-31G* level. The geometry, electronic structure and hydration energy of this interaction is also reported. The hydrophilic mechanismof the anionic SDSS was also determined.

Key words: Surfactants, Sodiumdioleyl sulfosuccinate, Synthesis, Density functional theory, Hydration


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