高等学校化学学报2023，Vol.44Issue(12)：18-25,8.DOI:10.7503/cjcu20230279
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
摘要
Abstract
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Key words
Polyzwitterionic brush/Electrostatic interaction strength/Surface morphology/Molecular dynamics simulation分类
化学化工引用本文复制引用
郝清海,杨帆,卿澈,谭红革..静电强度和反离子价态诱导的聚两性离子刷表面形貌[J].高等学校化学学报,2023,44(12):18-25,8.基金项目
中央高校科研基本业务费重点项目(批准号:3122020080)资助.Supported by the Key Program of Fundamental Research Funds for the Central Universities,China(No.3122020080). （批准号:3122020080）
