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Article
Nonequilibrium processes in Polymers undergoing Interchange Reactions. Part 2: Reaction-Diffusion Processes
Journal of Physical Chemistry (1991)
  • Alejandro Garcia, San Jose State University
  • J. Pojman, University of Southern Mississippi
  • D. Kondepudi, Wake Forest University
  • C. Van de Broeck
Abstract

A reactiodffusion system of polymers undergoing interchange reactions is studied. The equation that describes the dynamics of the system is similar to the Boltzmann equation for a gas of hard spheres. We consider a one-dimensionsl system in which the average length and the concentrations at the boundaries are fixed. The resulting steady states are obtained analytically and with numerical integration of equations obtained by using a local equilibrium approximation. Monte Carlo simulations of experimentally realizable conditions were performed and compared. The results reveal a nonlinear distribution of molecular concentration and mass. The entropy of the polymer distributions is calculated as function of position and shown to be less than the entropy for the distributions without interchange reactions. The diffusion of a square pulse is also considered.

Keywords
  • polymers,
  • nonequilibrium,
  • reactions,
  • diffusion,
  • processes
Publication Date
1991
Publisher Statement
Copyright © 1991 American Chemical Society. The definitive version is available online at http://dx.doi.org/10.1021/j100167a051.
Citation Information
Alejandro Garcia, J. Pojman, D. Kondepudi and C. Van de Broeck. "Nonequilibrium processes in Polymers undergoing Interchange Reactions. Part 2: Reaction-Diffusion Processes" Journal of Physical Chemistry Vol. 95 (1991)
Available at: http://works.bepress.com/alejandro_garcia1/67/