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Monte Carlo模拟亲水性对ABC三嵌段共聚物自组装行为的影响 被引量:1

Monte Carlo Simulation of Effect of Hydrophilicity on the Self-assembly of ABC Amphiphilic Triblock Copolymer in a Selective Solvent
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摘要 采用Monte Carlo模拟方法研究了线性ABC三嵌段共聚物在B嵌段的选择性溶剂中的自组装行为。模拟结果表明,改变B嵌段的亲水性,体系可以自组装得到多种形貌各异的胶束。随着亲水性的减弱,胶束发生了从Janus球状多核胶束到多间隔胶束再到圆盘状多核胶束的转变。通过进一步分析胶束中聚合物的链构象等微观结构信息,我们发现随着亲水程度的减弱,聚合物链构象发生了从伸展状态到伸展、折叠状态并存,最终再到伸展状态的一系列转变。 The self-assembly behavior of linear ABC triblock copolymer in selective solvent of B blocks was studied by means of Monte Carlo simulation.The simulation results show that various micelles with different morphologies can be formed by adjusting the hydrophilicity of B blocks.By reducing the hydrophilicity of B blocks,self-assembly micelles can transform from Janus-spherical multicore micelles to multicompartment micelles and then to disk-shaped multicore micelles.Via further investigation on the chain conformations in typical micelles,it is found that the polymer chains change from the extended state to the coexistence of extended and folded state,and eventually to the extended state with the decrease of hydrophilicity.
作者 樊娟娟 韩媛媛 崔杰 FAN Juanjuan;HAN Yuanyuan;CUI Jie(College of Information Technology,Jilin Agricultural University,Changchun 130118,China;School of Petrochemical Engineering,Liaoning Shihua University,Fushun 113001,China)
出处 《大学物理实验》 2021年第3期1-5,共5页 Physical Experiment of College
基金 吉林省教育厅“十三五”科学技术项目(JJKH20170292KJ) 国家自然科学基金面上项目(21674115) 辽宁省“兴辽英才计划”项目(XLYC1907188) 辽宁石油化工大学引进人才科研启动基金(2019XJJL-014、2019XJJL-015)。
关键词 两亲性嵌段共聚物 Monte Carlo模拟 自组装 amphiphilic block copolymer Monte Carlo simulation self-assembly
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