...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Macromolecular theory and simulations >Understanding the multiple length scales describing the structure of bottle-brush polymers by Monte Carlo simulation methods
【24h】

Understanding the multiple length scales describing the structure of bottle-brush polymers by Monte Carlo simulation methods

机译：通过蒙特卡洛模拟方法了解描述瓶刷聚合物结构的多个长度尺度

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Bottle-brush polymers contain a long flexible macromolecule as a backbone to which flexible side chains are grafted. Through the choice of the grafting density and the length of the side chains the local stiffness of this cylindrical molecular brush can be controlled, but a quantitative understanding of these phenomena is lacking. Monte Carlo simulation results are presented and discussed which address this issue, extracting mesoscopic length scales (such as the cross-sectional radius, persistence length, and contour length of these objects). Large-scale simulations of the bond fluctuation model are combined with simulations of the simple self-avoiding walk (SAW) model with flexibility controlled by a bond-angle potential, using the pruned-enriched Rosenbluth algorithm. It is shown that under good solvent conditions the bottle-brush polymers never display a pre-asymptotic Gaussian regime that would be described by the Kratky-Porod worm-like chain model, unlike the semiflexible SAW model. Implications of these results for the proper interpretation of experiments are discussed.
机译：瓶刷聚合物包含一个长的柔性大分子作为主链，在该主链上接枝了柔性侧链。通过选择接枝密度和侧链长度，可以控制这种圆柱形分子刷的局部刚度，但对这些现象缺乏定量的了解。提出并讨论了解决此问题的蒙特卡洛模拟结果，并提取了介观长度尺度（例如这些对象的横截面半径，持续长度和轮廓长度）。使用修剪丰富的Rosenbluth算法，将键波动模型的大规模仿真与具有由键角势控制的灵活性的简单自回避行走（SAW）模型的仿真相结合。结果表明，在良好的溶剂条件下，与半柔韧性的SAW模型不同，瓶刷聚合物永远不会表现出用Kratky-Porod蠕虫状链模型描述的前渐近高斯态。讨论了这些结果对实验正确解释的意义。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号