Nonequilibrium Processes in Polymers Undergoing Interchange Reactions .2. Reaction Diffusion Processes
Chemistry and Biochemistry
Mathematics and Natural Sciences
A reaction-diffusion 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-dimensional 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.
Journal of Physical Chemistry
Pojman, J. A.,
Garcia, A. L.,
Kondepudi, D. K.,
Van den Broeck, C.
(1991). Nonequilibrium Processes in Polymers Undergoing Interchange Reactions .2. Reaction Diffusion Processes. Journal of Physical Chemistry, 95(14), 5655-5660.
Available at: https://aquila.usm.edu/fac_pubs/7041