Computer simulation of solutions of telechelic polymers with associating end‐groups
Computer simulation of solutions of telechelic polymers with associating end‐groups
复制标题
DOI：
10.1002/mats.1996.040050507
复制
发表时间：
1996-09
影响因子：
1.4
通讯作者：
P. Khalatur;A. Khokhlov
中科院分区：
文献类型：
--
作者：
P. Khalatur;A. Khokhlov
我们提出了具有强烈吸引端基的遥爪链解的数值蒙特卡罗模拟结果。详细研究了胶束（聚集体）的形成、其结构以及整个系统的结构特征。计算机实验中揭示的特征在质量上与最近的理论预测相似。特别是，我们表明，即使溶剂有利于形成胶束壳的可溶性嵌段，由遥爪链形成的胶束也会相互吸引。结果，形成了具有许多连接胶束的链“桥”的“胶束凝胶”结构。事实证明，桥接链被显着拉长。此外，我们观察到缔合末端单元的静态结构因子的波矢量依赖性明显最大，这是由致密胶束核和膨胀的可溶链块组成的交替微域的准周期模式的表现。
We present the results of numerical Monte Carlo simulations of solutions of telechelic chains with strongly attracting end-groups. Formation of micelles (aggregates), their structure and structural characteristics of the system as a whole are studied in detail. The features revealed in computer experiments are qualitatively similar to the recent theoretical predictions. In particular, we show that micelles formed by telechelic chains attract each other even if the solvent is good for the soluble blocks forming micellar shells. As a result, A “micellar gel” structure with a number of chain “bridges” connecting micelles is formed. The bridging chains turn out to be significantly stretched. Furthermore, we observe a pronounced maximum in the wave-vector dependence of the static structure factor for the associating end-units which is a manifestation of a quasiperiodic pattern of alternating microdomains consisting of dense micellar cores and the swollen soluble chain blocks.