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Nonequilibrium Processes In Polymers Undergoing Interchange Reactions. Part 2: Reaction-Diffusion Processes, Alejandro Garcia, J. Pojman, D. Kondepudi, C. Van De Broeck Jan 1991

Nonequilibrium Processes In Polymers Undergoing Interchange Reactions. Part 2: Reaction-Diffusion Processes, Alejandro Garcia, J. Pojman, D. Kondepudi, C. Van De Broeck

Faculty Publications

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 …


Determination Of Rate Distributions From Kinetic Experiments, Todd B. Sauke, P. J. Steinback, K. Chu, H. Frauenfelder, J. B. Johnson, D. C. Lamb, G. U. Nienhaus, R. D. Young Jan 1991

Determination Of Rate Distributions From Kinetic Experiments, Todd B. Sauke, P. J. Steinback, K. Chu, H. Frauenfelder, J. B. Johnson, D. C. Lamb, G. U. Nienhaus, R. D. Young

Faculty Publications

Rate processes in proteins are often not adequately described by simple exponential kinetics. Instead of modeling the kinetics in the time domain, it can be advantageous to perform a numerical inversion leading to a rate distribution function f(lambda). The features observed in f(lambda) (number, positions, and shapes of peaks) can then be interpreted. We discuss different numerical techniques for obtaining rate distribution functions, with special emphasis on the maximum entropy method. Examples are given for the application of these techniques to flash photolysis data of heme proteins.


Nonequilibrium Processes In Polymers Undergoing Interchange Reactions. Part 2: Reaction-Diffusion Processes, Alejandro Garcia, J. Pojman, D. Kondepudi, C. Van De Broeck Jan 1991

Nonequilibrium Processes In Polymers Undergoing Interchange Reactions. Part 2: Reaction-Diffusion Processes, Alejandro Garcia, J. Pojman, D. Kondepudi, C. Van De Broeck

Alejandro Garcia

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 …