星形梳状聚合物在稀溶液中的链构象
Chain Conformation of Star Comb-like Polymers in Dilute Solutions
刘丹枫 1唐增贤 1丁明明2
作者信息
- 1. 伊犁师范大学物理科学与技术学院 新疆凝聚态相变与微结构实验室,伊宁 835000
- 2. 伊犁师范大学物理科学与技术学院 新疆凝聚态相变与微结构实验室,伊宁 835000;广东工业大学轻工化工学院,广州 510006
- 折叠
摘要
利用布朗动力学模拟研究了星形梳状聚合物链在稀溶液中的构象变化.研究结果表明,当星形梳状链的接枝密度小于0.2时,构象表现为星形,而随着接枝密度的增加,其构象逐渐变为球形.此外,拉伸因子也能较好地反映出链从星形向球形的构象转变.星形梳状链主干链的刚性受侧链长度的影响较小,但其受其接枝密度的影响较大.随着侧链长度的增加,侧链的持续长度也相应增加,但相对刚性强度随着侧链长度的增加而减弱.本文揭示了星形梳状聚合物在稀溶液中构象与分子参数的关系,有助于促进相关的表征研究.
Abstract
The conformation of star comb-like polymer chains in dilute solutions was investigated using Brownian dynamics simulations.The results show that when the grafting density of the star comb-like chains is less than 0.2,the conformation is star-shaped.With the increase of the grafting density,the conformation gradually changes to spherical.In addition,the stretching factor can also reflect the conformational transition from star to spherical shape.The stiffness of the star comb-like chain backbone is less affected by the length of the side chains,but more affected by its grafting density.As the length of side chains increases,the persistence length of side chains increases accordingly,but the relative rigidity strength decreases with the increase in side chain length.This study reveals the relationship between conformation and molecular parameters of star comb-like polymers in dilute solutions,which helps to facilitate relevant characterization studies.
关键词
星形梳状聚合物/链构象/布朗动力学Key words
Star comb-like polymers/Chain Conformation/Brownian dynamics引用本文复制引用
基金项目
伊犁师范大学校级科研项目(2022YSYB012)
自治区级大学生创新创业训练计划(2022)(S202210764021)
出版年
2024
NETL
NSTL
万方数据