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.
Copyright Owner
American Physical Society
Copyright Date
2009
Language
en
File Format
application/pdf
Recommended Citation
Liu, Da-Jiang; Chen, Hung-Ting; Lin, Victor S.-Y.; and Evans, James W., "Statistical mechanical modeling of catalytic polymerization within surface-functionalized mesoporous materials" (2009). Physics and Astronomy Publications. 196.
https://lib.dr.iastate.edu/physastro_pubs/196
Comments
This article is from Physical Review E 80 (2009): 011801, doi: 10.1103/PhysRevE.80.011801. Posted with permission.