CAJ | 학술논문

采用分子动力学方法研究了两性表面活性剂十二烷基二甲基磺丙基甜菜碱在气－液界面的聚集结构，分析了影响液膜稳定性的因素。结果表明，界面生成能对界面膜的稳定有重要作用，增加表面活性剂在液膜上的浓度利于界面膜的稳定。通过表面活性剂头基与水分子之间的径向分布函数，可把表面活性剂周围的水分子分为3种类型：结合水、捕获水和自由水。其中表面活性剂通过氢键、静电作用等束缚结合水和捕获水的能力与液膜稳定性密切相关，模拟发现磺基甜菜碱对水分子具有强烈的结合作用，是泡沫稳定的重要影响因素。
채용분자동역학방법연구료량성표면활성제십이완기이갑기광병기첨채감재기－액계면적취집결구，분석료영향액막은정성적인소。결과표명，계면생성능대계면막적은정유중요작용，증가표면활성제재액막상적농도리우계면막적은정。통과표면활성제두기여수분자지간적경향분포함수，가파표면활성제주위적수분자분위3충류형：결합수、포획수화자유수。기중표면활성제통과경건、정전작용등속박결합수화포획수적능력여액막은정성밀절상관，모의발현광기첨채감대수분자구유강렬적결합작용，시포말은정적중요영향인소。
The aggregation morphology of zwitterionic surfactant dodecyl hydroxy-propyl sulfobetaine at the vapor-liquid interface was investigated using molecular dynamics method,and the effect of film stability was discussed.Depending on the interface formation energy,the increasing number of surfactant molecules at the interface helped the stability of liquid membrane.Through the radial distribution functions between the head groups of surfactant and water molecules, the water molecules around surfactant molecules were divided into three types,bound water,trapped water and free wa-ter.There were important relationships between the stability of foam and the ability of surfactant binding with water molecules through hydrogen bonding and electrostatic interaction.The results showed that this zwitterionic surfactant had strong binding effect to water molecules in the stability of foam.