Simulation studies of permeation through two-dimensional ideal polymer networks

TL;DR

This paper investigates how molecules diffuse through a two-dimensional ideal polymer network using numerical simulations, revealing complex dependencies on polymer length, density, and temperature.

Contribution

It introduces a numerical model of diffusion in 2D polymer networks with insights into how physical parameters affect permeation.

Findings

Steady-state current depends non-trivially on polymer length, density, and temperature.

Qualitative explanations for the observed dependencies are provided.

The model offers a framework for understanding diffusion in ideal polymer networks.

Abstract

We study the diffusion process through an ideal polymer network, using numerical methods. Polymers are modeled by random walks on the bonds of a two-dimensional square lattice. Molecules occupy the lattice cells and may jump to the nearest-neighbor cells, with probability determined by the occupation of the bond separating the two cells. Subjected to a concentration gradient across the system, a constant average current flows in the steady state. Its behavior appears to be a non-trivial function of polymer length, mass density and temperature, for which we offer qualitative explanations.