Campus Units

Chemistry, Mathematics, Physics and Astronomy, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

1984

Journal or Book Title

The Journal of Chemical Physics

Volume

80

Issue

2

First Page

936

Last Page

943

DOI

10.1063/1.446751

Abstract

We analyze model processes involving competition between several irreversible reactions at the sites of a 1D, infinite, uniform polymer chain. These reactionscan be cooperative, i.e., the corresponding rates depend on the state of the surrounding sites. An infinite hierarchy of rate equations is readily derived for the probabilities of various subconfigurations. By exploiting a shielding property of suitable blocks of unreacted sites, we show how exact hierarchy truncation and solution is sometimes possible. The behavior of solutions is illustrated in several cases by plotting families of ‘‘reaction trajectories’’ for varying ratios of reactant concentrations. As a specific application, we consider competition between coordination of ZnCl2 to pairs of oxygen atoms and to single oxygen atoms in poly(propylene oxide). The observed glass transition temperature behavior is eludicated.

Comments

This article is published as Evans, J. W., D. K. Hoffman, and D. R. Burgess. "Competing irreversible cooperative reactions on polymer chains." The Journal of chemical physics80, no. 2 (1984): 936-943, doi:10.1063/1.446751. Posted with permission.

Copyright Owner

American Institute of Physics

Language

en

File Format

application/pdf

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