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- Title
Advanced Kinetic Parameter Fit Applied to Radical Copolymerizations.
- Authors
Hosemann, Benjamin; Drache, Marco; Beuermann, Sabine
- Abstract
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.
- Subjects
COPOLYMERIZATION kinetics; MARKOV chain Monte Carlo; RADIUS of gyration; DIFLUOROETHYLENE; ORDINARY differential equations
- Publication
Macromolecular Symposia, 2016, Vol 370, Issue 1, p17
- ISSN
1022-1360
- Publication type
Academic Journal
- DOI
10.1002/masy.201600095