Polanowski Piotr, Sikorski Andrzej
Department of Molecular Physics, Faculty of Chemistry, Lodz University of Technology, Zeromskiego 116, 90-543 Lodz, Poland.
Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.
Entropy (Basel). 2024 Dec 12;26(12):1086. doi: 10.3390/e26121086.
A coarse-grained model of a two-dimensional colloidal suspension was designed. The model was athermal and, in addition, a lattice approximation was introduced. It consisted of solvent (monomer) molecules, dimer molecules, and immobile impenetrable obstacles that introduced additional heterogeneity into the system. Dynamic properties were determined by a Monte Carlo simulation using the dynamic lattice liquid simulation algorithm. It is shown that there is a range of obstacle concentrations in which different diffusion characteristics were observed for dimers and solvents. In the system studied, it is possible to define the ranges of concentrations of individual components (solvent, dimers, and obstacles), in which the nature of the movement of dimers and solvents is different (normal diffusion vs. subdiffusion). The ratio of diffusion coefficients of solvent molecules and dimers for short times does not depend on the concentration of obstacles, while for long times, the ratio increases but remains independent of the concentration of the dimer.
设计了一种二维胶体悬浮液的粗粒度模型。该模型是无热的，此外，还引入了晶格近似。它由溶剂（单体）分子、二聚体分子和固定的不可穿透障碍物组成，这些障碍物给系统引入了额外的不均匀性。通过使用动态晶格液体模拟算法的蒙特卡罗模拟来确定动力学性质。结果表明，在一定的障碍物浓度范围内，观察到二聚体和溶剂具有不同的扩散特性。在所研究的系统中，可以确定各个组分（溶剂、二聚体和障碍物）的浓度范围，在这些范围内二聚体和溶剂的运动性质不同（正常扩散与亚扩散）。短时间内溶剂分子和二聚体的扩散系数之比不依赖于障碍物的浓度，而长时间时，该比值增加但仍与二聚体的浓度无关。
