1521-3919/asset/olbannerleft.gif?v=1&s=f2dcf0d484f9949d19695ca050fc0be8c84e276f)
1521-3919/asset/olbannerright.gif?v=1&s=440aab5822bc3024b84ea4fb0f6803262d323bb1)
Full Paper
A Novel Approach to Population Balance Modeling of Reactive Polymer Modification Leading to Branching
Article first published online: 13 DEC 2012
DOI: 10.1002/mats.201200048
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Kryven, I. and Iedema, P. D. (2013), A Novel Approach to Population Balance Modeling of Reactive Polymer Modification Leading to Branching. Macromol. Theory Simul., 22: 89–106. doi: 10.1002/mats.201200048
Publication History
- Issue published online: 19 FEB 2013
- Article first published online: 13 DEC 2012
- Manuscript Revised: 25 SEP 2012
- Manuscript Received: 26 JUL 2012
- Abstract
- Article
- References
- Cited By
Keywords:
- convolution;
- Gaussian basis function;
- molecular weight distribution;
- population balance equation
Abstract
The mathematical treatment of polymer modification systems, described by population balances containing convolution is discussed. The two-dimensional case (molecular weight vs. number of branch points) was considered by utilizing approximations of distributions, expanding them in terms of Gaussian basis functions. Three branching reactions were addressed: chain backbone to chain end point coupling; three-functional coupling of chain ends; and crosslinking. The results were compared to those of Monte Carlo (MC) simulations. Good agreement was observed, although the quality of a distribution as generated by the numerical approach is much better in view of the strong scatter in the MC data.