B Schmittmann et al 2005 J. Phys.: Condens. Matter 17 S1817 doi:10.1088/0953-8984/17/20/011
Gas permeation through a polymer network
B Schmittmann1, Manoj Gopalakrishnan2 and R K P Zia1
Show affiliationsWe study the diffusion of gas molecules through a two-dimensional network of polymers with the help of Monte Carlo simulations. The polymers are modelled as non-interacting random walks on the bonds of a two-dimensional square lattice, while the gas particles occupy the lattice cells. When a particle attempts to jump to a nearest-neighbour empty cell, it has to overcome an energy barrier which is determined by the number of polymer segments on the bond separating the two cells. We investigate the gas current J as a function of the mean segment density ρ, the polymer length 
and the probability qm for hopping across m segments. Whereas J decreases monotonically with ρ for fixed , its behaviour for fixed ρ and increasing depends strongly on q. For small, non-zero q, J appears to increase slowly with . In contrast, for q = 0, it is dominated by the underlying percolation problem and can be non-monotonic. We provide heuristic arguments to put these interesting phenomena into context.
- PACS
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66.30.Dn Theory of diffusion and ionic conduction in solids
05.50.+q Lattice theory and statistics (Ising, Potts, etc.)
- Subjects
- Dates
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Issue 20 (25 May 2005)
Received 10 January 2005, in final form 10 February 2005
Published 6 May 2005
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Gas permeation through a polymer network
B Schmittmann et al 2005 J. Phys.: Condens. Matter 17 S1817
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