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The Behavior of Amphiphile at Oil-Water Interface by Monte Carlo Simulation

PAN Haihua; LI Xiaofeng; LI Haoran; LIU Dixia; HAN Shijun   

  1. Department of Chemistry, Zhejiang University, Hangzhou 310027, China
  • Received:1900-01-01 Revised:1900-01-01 Online:2003-08-28 Published:2003-08-28
  • Contact: PAN Haihua

双亲分子在油水界面的行为研究

潘海华; 李啸风; 李浩然; 刘迪霞; 韩世钧   

  1. Department of Chemistry, Zhejiang University, Hangzhou 310027, China
  • 通讯作者: 潘海华

Abstract: 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 thismodel, the oil-water interface is fixed, And amphiphile
molecules will be enriched at the oil-water interface. Theinterfacial 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 theincrease of amphiphile concentration and the decrease with temperature.

Key words: amphiphile, adsorption, oil-water interface, Monte Carlo simulation

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 thismodel, the oil-water interface is fixed, And amphiphile
molecules will be enriched at the oil-water interface. Theinterfacial 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 theincrease of amphiphile concentration and the decrease with temperature.

关键词: amphiphile;adsorption;oil-water interface;Monte Carlo simulation