Advanced Kinetic Parameter Fit Applied to Radical Copolymerizations.

Hosemann, Benjamin; Drache, Marco; Beuermann, Sabine

The approach used for fitting kinetic coefficients to experimental polymerization data is of minor importance as long as the simulation of the quantities to be compared is sufficiently fast. Whenever the simulation is slowed down, for example due to transfer to polymer reactions involved, the fit has to be performed using as few iteration steps as possible. In this work, the simulation aims for the relation between branching and radius of gyration, therefore the kinetic simulation is coupled with a random walk approach, enlarging the computational demands further. A Markov Chain fit is used, enabling an optimal usage of the resources.

COPOLYMERIZATION kinetics; MARKOV chain Monte Carlo; RADIUS of gyration; DIFLUOROETHYLENE; ORDINARY differential equations

Macromolecular Symposia, 2016, Vol 370, Issue 1, p17

1022-1360

Academic Journal

10.1002/masy.201600095