Department of Molecular Physics, Łódź University of Technology, 90-924 Łódź, Poland.
Soft Matter. 2019 Dec 11;15(48):10045-10054. doi: 10.1039/c9sm01876j.
We studied the movement of particles in crowded environments by means of extensive Monte Carlo simulations. The dynamic lattice liquid model was employed for this purpose. It is based on the cooperative movement concept and allows the study of systems at high densities. The cooperative model of molecular transport is assumed: the motion of all moving particles is highly correlated. The model is supposed to mimic lateral motion in a membrane and therefore the system is two-dimensional with moving objects and traps placed on a triangular lattice. In our study the interaction (binding) of traps with moving particles was assumed. The conditions in which subdiffusive motion appeared in the system were analysed. The influence of the strength of binding on the dynamic percolation threshold was also shown. The differences in the dynamics compared to systems with impenetrable obstacles and with systems without correlation in motion were presented and discussed. It was shown that in the case of correlated motion the influence of deep traps is similar to that of impenetrable obstacles. If the traps are shallow a recovery to normal diffusion was observed for longer time periods.
我们通过广泛的蒙特卡罗模拟研究了粒子在拥挤环境中的运动。为此目的，采用了动态格子液体模型。它基于协同运动的概念，允许在高密度下研究系统。假设分子输运的协同模型：所有移动粒子的运动高度相关。该模型旨在模拟膜中的横向运动，因此系统是二维的，移动物体和陷阱放置在三角形格子上。在我们的研究中，假设了陷阱与移动粒子的相互作用（结合）。分析了系统中出现亚扩散运动的条件。还显示了结合强度对动态渗流阈值的影响。与不可穿透障碍物的系统和运动无相关性的系统相比，展示并讨论了动力学方面的差异。结果表明，在相关运动的情况下，深阱的影响类似于不可穿透障碍物的影响。如果陷阱较浅，则在较长时间内观察到恢复到正常扩散。
