Polanowski Piotr, Jeszka Jeremiasz K
Department of Molecular Physics, Technical University of Lodz, 90-924 Lodz, Poland.
Langmuir. 2007 Aug 14;23(17):8678-80. doi: 10.1021/la701167e. Epub 2007 Jul 24.
The results of Monte Carlo simulations of 2D polymer solutions are presented. The simulations were performed under athermal conditions for long chains (up to 1024 beads) over a full range of polymer concentration phi, explicitly taking into account the solvent molecules. The results obtained for short chains (N < or = 256) are in good agreement with previous simulations whereas for long chains microphase separation is observed below phi = 0.6. This phenomenon is attributed to strong excluded volume interactions in 2D systems. A sort of interpenetration of the coils is also observed.
本文给出了二维聚合物溶液的蒙特卡罗模拟结果。模拟是在无热条件下针对长链(多达1024个珠子)在整个聚合物浓度φ范围内进行的,明确考虑了溶剂分子。短链(N≤256)的模拟结果与先前的模拟结果吻合良好,而对于长链,在φ<0.6时观察到微相分离。这种现象归因于二维系统中强烈的排除体积相互作用。还观察到了一种线团的相互穿透现象。