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The Behavior of Amphiphile at Oil-Water Interface by Monte Carlo Simulation 被引量:1

The Behavior of Amphiphile at Oil-Water Interface by Monte Carlo Simulation
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摘要 A novel simple two-dimensional square-lattice model of amphiphile at oil-water interface is developed,in which oil and water act as solvent and occupy empty sites and amphiphile occupies chains of sites. In this model, the oil-water interface is fixed, And amphiphile molecules will be enriched at the oil-water interface. The interfacial concentration of amphiphile calculated by Monte Carlo method shows that it is easier for the hydrophilic-hydrophobic balanced amphiphile to stay at the interface. And the adsorption of amphiphile increases with the increase of amphiphile concentration and the decrease with temperature. A novel simple two-dimensional square-lattice model of amphiphile at oil-water interface is developed, in which oil and water act as solvent and occupy empty sites and amphiphile occupies chains of sites. In this model, the oil-water interface is fixed, And amphiphile molecules will be enriched at the oil-water interface. The interfacial concentration of amphiphile calculated by Monte Carlo method shows that it is easier for the hydrophilic-hydrophobic balanced amphiphile to stay at the interface. And the adsorption of amphiphile increases with the increase of amphiphile concentration and the decrease with temperature.
出处 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2003年第4期446-451,共6页 中国化学工程学报(英文版)
基金 Supported by the National Natural Science Foundation of China (No. 29736170)and the Natural Science Foundation of Zhejiang Province(No. RC01051).
关键词 双亲分子 油水界面 吸附行为 蒙特卡洛模拟 温度 amphiphile, adsorption, oil-water interface, Monte Carlo simulation
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