静电强度和反离子价态诱导的聚两性离子刷表面形貌  

Surface Morphologies of Polyzwitterionic Brushes Induced by Electrostatic Strength and Counterion Valence

作　　者：郝清海[1] 杨帆 卿澈 谭红革[1] HAO Qinghai;YANG Fan;QING Che;TAN Hongge(College of Science,Civil Aviation University of China,Tianjin 300300,China)

机构地区：[1]中国民航大学理学院,天津300300

出　　处：《高等学校化学学报》2023年第12期183-190,共8页Chemical Journal of Chinese Universities

基　　金：中央高校科研基本业务费重点项目(批准号:3122020080)资助.

摘　　要：采用分子动力学方法研究了平板聚两性离子刷的表面相行为.考察了不同价态反离子存在时,聚两性离子刷表面形貌随静电相互作用强度的演化.当静电作用逐渐增强时,3种模拟系列下两性离子刷都发生微相分离形成了钉扎状胶束结构.结合刷高、密度分布函数和主链单体对关联函数,分析了胶束尺寸和胶束内粒子堆积状态的变化.通过统计反离子在刷内的4种状态,揭示了单价和多价反离子在诱导聚两性离子刷相结构上的差异.The surface phase behavior of planar polyzwitterionic brushes was studied by molecular dynamics simulations.The evolution of the surface morphologies of polyzwitterionic brushes with the strength of electrostatic interaction in the presence of counterions with different valences was investigated.When the electrostatic interaction was gradually enhanced,the microphase separation of the polyzwitterionic brush occurred in all three cases to form a pinned micelle structure.Combining brush height,density distribution function,and backbone monomer pair correla⁃tion functions,the changes of micelle size and particle stacking state in micelles were analyzed.The difference between monovalent and multivalent counterions in inducing the phase structure of polyzwitterionic brushes was revealed by calculating the fractions of four states of positive counterions in the brushes.

关 键 词：聚两性离子刷 静电作用强度 表面形貌 分子动力学模拟 

分 类 号：O631.2[理学—高分子化学]