Department of Molecular Physics, Technical University of Łódź, 90-924 Łódź, Poland.
Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.
Soft Matter. 2017 Feb 22;13(8):1693-1701. doi: 10.1039/c6sm02308h.
In this paper we investigate the motion of molecules in crowded environments for two dramatically different types of molecular transport. The first type is realized by the dynamic lattice liquid model, which is based on a cooperative movement concept and thus, the motion of molecules is highly correlated. The second one corresponds to a so-called motion of a single agent where the motion of molecules is considered as a random walk without any correlation with other moving elements. The crowded environments are modeled as a two-dimensional triangular lattice with fixed impenetrable obstacles. Our simulation results indicate that the type of transport has an impact on the dynamics of the system, the percolation threshold, critical exponents, and on molecules' trajectories.
在本文中，我们研究了两种截然不同的分子输运方式在拥挤环境中的分子运动。第一种是通过动态晶格液体模型来实现的，该模型基于协同运动的概念，因此分子的运动高度相关。第二种则对应于所谓的单个分子的运动，其中分子的运动被认为是一种没有与其他运动元素任何相关性的随机漫步。拥挤的环境被建模为一个二维三角形晶格，其中存在固定的不可穿透障碍物。我们的模拟结果表明，输运类型对系统的动力学、渗流阈值、临界指数以及分子轨迹都有影响。
