Campus Units

Chemistry, Mathematics, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

7-2009

Journal or Book Title

Physical Review E

Volume

80

Issue

1

First Page

011801-1

Last Page

011801-9

DOI

10.1103/PhysRevE.80.011801

Abstract

A discrete lattice model is developed to describe diffusion-mediated polymerization occurring within mesopores, where reaction is enhanced at catalytic sites distributed within the interior of the pores. Diffusive transport of monomers and polymers is one-dimensional, diffusion coefficients for the latter decreasing with polymer length. Kinetic Monte Carlo simulation is utilized to analyze model behavior focusing on a "clogging" regime, where the amount of polymer within the pores grows. We characterize the evolution of the overall and mean length of polymers, the mean number of polymers, as well as the polymer spatial and length distributions.

Comments

This article is from Physical Review E 80 (2009): 011801, doi: 10.1103/PhysRevE.80.011801. Posted with permission.

Copyright Owner

American Physical Society

Language

en

File Format

application/pdf

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