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Citation: CHEN Yi-Jian, ZHOU Hong-Tao, GE Ji-Jiang, XU Gui-Ying. Aggregation Behavior of Double-Chained Anionic Surfactant 1-C_m-C₉-SO₃Na at Air/Liquid Interface: Molecular Dynamics Simulation[J]. Acta Physico-Chimica Sinica, ;2017, 33(6): 1214-1222. doi: 10.3866/PKU.WHXB201704075 shu

Aggregation Behavior of Double-Chained Anionic Surfactant 1-C_m-C₉-SO₃Na at Air/Liquid Interface: Molecular Dynamics Simulation

1.
College of Petroleum Engineering, China University of Petroleum(Huadong), Qingdao 266580, Shandong Province, P. R. China;
2.
Key Laboratory of Colloid and Interface Chemistry, Shandong University, Ministry of Education, Jinan 250100, P. R. China

Received Date: 13 October 2016
Revised Date: 28 February 2017

Fund Project: The project was supported by the Shandong Provincial Natural Science Foundation, China (ZR2014EZ002) and National Natural Science Foundation of China (51574266).

The aggregation behavior of the double-chained anionic surfactant 1-alkyl-decyl sodium sulfonate (1-C_m-C₉-SO₃-Na) at the air/liquid interface was investigated using molecular dynamics simulation. The influences of the m value on the interfacial properties of the surfactant were compared using density profile and radial distribution function (RDF). The results showed that the hydrophobic ability of the surfactant increase and the slant angles of hydrophobic carbon chains decrease with increasing m. For m=4, the 1-C₄-C₉-SO₃Na form aggregates by lying on the interface; the S-S and S-Na⁺ interactions are the highest for m=4 among all systems studied, while the hydration ability of its polar head is the weakest. The simulation and experimental results show that the interfacial performance is the best for 1-C₄-C₉-SO₃Na.
- Molecular dynamics simulation,
- 1-Alkyl-decyl sodium sulfonate
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Aggregation Behavior of Double-Chained Anionic Surfactant 1-Cm-C9-SO3Na at Air/Liquid Interface: Molecular Dynamics Simulation

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通讯作者: 陈斌, bchen63@163.com

Aggregation Behavior of Double-Chained Anionic Surfactant 1-C_m-C₉-SO₃Na at Air/Liquid Interface: Molecular Dynamics Simulation