当前位置: X-MOL 学术Chinese. J. Polym. Sci. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Computer Simulation Study on Adsorption and Conformation of Polymer Chains Driven by External Force
Chinese Journal of Polymer Science ( IF 4.3 ) Pub Date : 2020-10-07 , DOI: 10.1007/s10118-020-2491-x
He-Bei Gao , Hong Li , Xiao-Qin Zhang , Xiang-Hong Wang , Chao-Yang Li , Meng-Bo Luo

In this work, Monte Carlo simulations are used to study the critical adsorption behaviors of flexible polymer chains under the action of an external driving force F parallel to an attractive flat surface. The critical adsorption temperature Tc decreases linearly with increasing F, indicating that the driving force suppresses the adsorption of polymer. The conformation of polymer is also affected by the driving force. However, the effect of F is dependent on the competition between the driving force and temperature. Under strong force or at low temperature, the polymer is stretched along the direction of the force, while under weak force or at high temperature, the polymer is not stretched. When the force is comparable to the temperature, the polymer may be stretched perpendicular to the driving force, and below Tc, we observe conformational transitions from parallel to perpendicular and again to parallel by decreasing the temperature. We found that the perpendicular stretched conformation leads the polymer chain to synchronously move along the direction of the driving force. Moreover, the conformational transitions are attributed to the competition and cooperation between the driving force and the temperature.



中文翻译:

外力驱动聚合物链吸附和构象的计算机模拟研究

在这项工作中,使用蒙特卡罗模拟研究柔性聚合物链在平行于有吸引力的平坦表面的外部驱动力F作用下的临界吸附行为。临界吸附温度T c随着F的增加而线性降低,表明驱动力抑制了聚合物的吸附。聚合物的构象也受到驱动力的影响。但是,F的效果取决于驱动力和温度之间的竞争。在强力或低温下,聚合物沿力的方向拉伸,而在弱力或高温下,聚合物不拉伸。当力与温度相当时,聚合物可能垂直于驱动力拉伸,并且在T c以下,我们观察到通过降低温度从平行构型到垂直构型过渡,再到平行构型。我们发现垂直拉伸构象导致聚合物链沿驱动力方向同步移动。此外,构象转变归因于驱动力与温度之间的竞争与配合。

更新日期:2020-10-11
down
wechat
bug