Molecular Dynamics Simulation of Sulfobetaine-Type Zwitterionic Surfactants at the Decane/Water Interface: Structure, Interfacial Properties

作者：Qu, Guangmiao^*; Xue, Chunlong; Zhang, Mingzhe; Liang, Shuang; Han, Ying; Ding, Wei

来源：Journal of Dispersion Science and Technology, 2016, 37(12): 1710-1717.

DOI：10.1080/01932691.2015.1135400

• Hydrophilicity
• molecular dynamics simulation
• salt tolerance
• sulfobetaine-type zwitterionic surfactant
• temperature sensitivity

Molecular dynamics simulations of interfacial properties of new sulfobetaine-type zwitterionic surfactants were performed using a united atomistic model, and a detailed analysis of hydrophilicity, temperature sensitivity, and salt resistance of surfactants was carried out. The new model was parameterized to reproduce the density and showed good agreement with experimental values. The results showed that the surfactant will not cease to be effective with the increase of the temperature from 300 to 373K but as it rises, the interfacial tension will have a reduction. This kind of surfactant can be proved to remain an activity at high concentration of monovalent and divalent cations. It has commendable salt tolerance.

• 出版日期2016
• 单位东北石油大学