Lu Rong-Xing, Zhou Yun, Yang Qing-Hui, Huang Jian-Hua
Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou 310018, China.
Department of Physics, Hangzhou Dianzi University, Hangzhou 310018, China.
Soft Matter. 2022 Aug 17;18(32):5989-5998. doi: 10.1039/d2sm00553k.
Adsorption of polymer chains on a solid surface is a universal interfacial behavior. Loops in the adsorbed chains are considered to exert a significant effect on the overall properties of a substrate-supported polymer film entanglement with non-adsorbed chains in the film. In this work, the size and stability of loops formed by adsorbed homopolymer chains on an attractive substrate were studied by Langevin dynamics simulations. The size of loops decreases while the stability increases with increasing attraction strength of the substrate. In contrast, with an increase in the polymer concentration, the size of loops increases but the stability decreases. However, both the size and stability of loops increase with increasing chain length. Simulation results show that the optimal conditions for forming large and stable loops are long homopolymer chains, substrates with moderate attraction strength, and moderate polymer concentration.
聚合物链在固体表面的吸附是一种普遍的界面行为。吸附链中的环被认为对基底支撑聚合物膜与膜中非吸附链的缠结的整体性质有显著影响。在这项工作中，通过朗之万动力学模拟研究了在吸引性基底上吸附的均聚物链形成的环的尺寸和稳定性。随着基底吸引力强度的增加，环的尺寸减小而稳定性增加。相反，随着聚合物浓度的增加，环的尺寸增加但稳定性降低。然而，环的尺寸和稳定性都随着链长的增加而增加。模拟结果表明，形成大而稳定的环的最佳条件是长的均聚物链、具有中等吸引力强度的基底和中等聚合物浓度。
