- A Novel Approach to Population Balance Modeling of Reactive Polymer Modification Leading to Branching
- Macromolecular Theory and Simulations
- Volume | Issue number
- 22 | 2
- Pages (from-to)
- Document type
- Faculty of Science (FNWI)
- Van 't Hoff Institute for Molecular Sciences (HIMS)
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.
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