Comparison of different models of motion in a crowded environment: a Monte Carlo study

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 corre...

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Bibliographic Details
Published inSoft matter Vol. 13; no. 8; pp. 1693 - 171
Main Authors Polanowski, P, Sikorski, A
Format Journal Article
LanguageEnglish
Published England 22.02.2017
Subjects
Computer simulation
Correlation
Dynamical systems
Dynamics
Lattices
Obstacles
Transport
Transportation models
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Summary: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. A model of molecular transport (dynamic lattice liquid vs. single agent model) has an impact on the dynamics of the system.
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ISSN:1744-683X
1744-6848
DOI:10.1039/c6sm02308h