Citation: LIU Zi-Yu, LIAO Qi, JIN Zhi-Qiang, ZHANG Lei, ZHANG Lu. Effect of Electrolytes on the Interfacial Behavior of Nonionic-Anionic Surfactant Solutions Using Molecular Dynamics Simulations[J]. Acta Physico-Chimica Sinica, ;2016, 32(5): 1168-1174. doi: 10.3866/PKU.WHXB201602186 shu

Effect of Electrolytes on the Interfacial Behavior of Nonionic-Anionic Surfactant Solutions Using Molecular Dynamics Simulations

LIU Zi-Yu ^1,, ,
LIAO Qi ² ,
JIN Zhi-Qiang ¹ ,
ZHANG Lei ¹ ,
ZHANG Lu ^1,,

1.
1 Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China;
2.
2 Technical Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China

Corresponding author: LIU Zi-Yu, ZHANG Lu,
Received Date: 12 January 2016
Available Online: 15 February 2016

The effect of electrolytes on the interfacial behavior of nonionic-anionic surfactant solutions is studied using molecular dynamics (MD) simulations. The z-dependent surfactant density, radial distribution, coordination number, spatial distribution function, and mean-squared displacement are used to analyze the interaction of electrolytes and surfactants. Based on our simulated results, the three counter ions Na⁺, Ca²⁺, and Mg²⁺ have an effect on the hydration shell structure. On a micro level, the binding strength of the Na²⁺ counter ion is less than Ca²⁺, which is less than Mg²⁺, and this simulated result is consistent with the experimental results. The diffusion results can explain the interfacial tension (IFT) equilibrium time and have a significant effect on the optimal mixture method.
- Molecular dynamics simulation,
- Electrolyte,
- Nonionic-anionic surfactant,
- Hydration shell,
- Interaction
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