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Acta Phys. -Chim. Sin.  2017, Vol. 33 Issue (6): 1214-1222    DOI: 10.3866/PKU.WHXB201704075
Article     
Aggregation Behavior of Double-Chained Anionic Surfactant 1-Cm-C9-SO3Na at Air/Liquid Interface: Molecular Dynamics Simulation
CHEN Yi-Jian1, ZHOU Hong-Tao1, GE Ji-Jiang1, XU Gui-Ying2
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
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Abstract  

The aggregation behavior of the double-chained anionic surfactant 1-alkyl-decyl sodium sulfonate (1-Cm-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.



Key wordsMolecular dynamics simulation      1-Alkyl-decyl sodium sulfonate      Air/liquid interface      Aggregation behavior     
Received: 13 October 2016      Published: 07 April 2017
MSC2000:  O641  
Fund:  

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

Corresponding Authors: CHEN Yi-Jian     E-mail: chenyijiancs@126.com
Cite this article:

CHEN Yi-Jian, ZHOU Hong-Tao, GE Ji-Jiang, XU Gui-Ying. Aggregation Behavior of Double-Chained Anionic Surfactant 1-Cm-C9-SO3Na at Air/Liquid Interface: Molecular Dynamics Simulation. Acta Phys. -Chim. Sin., 2017, 33(6): 1214-1222.

URL:

http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/10.3866/PKU.WHXB201704075     OR     http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/Y2017/V33/I6/1214

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