物理化学学报 >> 2009, Vol. 25 >> Issue (01): 30-34.doi: 10.3866/PKU.WHXB20090106

研究论文 上一篇    下一篇

琥珀酸二油脂磺酸钠的合成、结构及水合作用

于艳春; 肖鹤鸣   

  1. 南京理工大学化工学院分子与材料计算研究所, 南京 210094; 淮海工学院化工学院, 江苏 连云港 222005
  • 收稿日期:2008-07-01 修回日期:2008-10-10 发布日期:2008-12-31
  • 通讯作者: 于艳春; 肖鹤鸣 E-mail:xiao@mail.njust.edu.cn;yuyanchun111@163.com

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 E-mail:xiao@mail.njust.edu.cn;yuyanchun111@163.com

摘要: 通过增加磺化反应时间, 补加NaHSO3, 以液液萃取法代替重结晶法提纯产品, 大幅度提高了合成琥珀酸二油酯磺酸钠(SDSS)的产品得率. 用量子化学密度泛函理论以及B3LYP/6-31G*方法全优化计算了SDSS阴离子的几何和电子结构, 确证其反反-异构体较为稳定, 解释了以相关反胶束提取蛋白质的实验事实. 还在B3LYP/6-31G*水平上研究了SDSS阴离子的水合作用, 报道了SDSS阴离子水合物的几何、电子结构和水合能, 阐述了SDSS阴离子的亲水机理.

关键词: 表面活性剂, 琥珀酸二油酯磺酸钠, 合成, 密度泛函理论, 水合作用

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

MSC2000: 

  • O648