抗衡离子对硫酸盐表面活性剂气/液界面性质影响的分子动力学模拟

doi:10.3866/PKU.WHXB201411191

Abstract

Abstract:

Molecular dynamics (MD) simulations have been carried out to study the micro-interfaces between counterions (Li⁺, Na⁺, K⁺, Rb⁺, Cs⁺) and dodecyl sulfate surfactant at the air/liquid interface. The morphology of the monolayer was analyzed by the density profile of the surfactant components, and the interactions between the polar head groups of the surfactants and the counterions were analyzed using the radial distribution function (RDF). The results showed that the interfacial thickness and thicknesses of the Stern and diffusion layers increased as the radius of counterion increased, whereas the surface tension and the degree of counterion association at the adsorbed layer decreased as the radius increased. These results indicated that the different counterions had a significant effect on the adsorption behavior of the dodecyl sulfate surfactants at the interface.

Key words: Dodecyl sulfate, Counterion, Air/liquid interface, Electrical double layer, Molecular dynamics

HU Song-Qing, JI Xian-Jing, FAN Zhong-Yu, ZHANG Tian-Tian, SUN Shuang-Qing. Counterion Effects on the Properties of Sulfate Surfactants at the Air/Liquid Interface by Molecular Dynamics Simulation[J].Acta Phys. -Chim. Sin., 2015, 31(1): 83-89.

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Counterion Effects on the Properties of Sulfate Surfactants at the Air/Liquid Interface by Molecular Dynamics Simulation

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