- Advanced Monte Carlo Model for Arborescent Polyisobutylene Production in Batch Reactor
- Macromolecular Theory and Simulations
- Volume | Issue number
- 23 | 6
- Pages (from-to)
- Document type
- Faculty of Science (FNWI)
- Van 't Hoff Institute for Molecular Sciences (HIMS)
An advanced Monte Carlo (MC) model is developed to predict the molecular weight distribution and branching level for arborescent polyisobutylene produced in a batch reactor via carbocationic copolymerization of isobutylene and an inimer. This new MC model uses differential equations and random numbers to determine the detailed structure of dendritic polymer molecules. Results agree with those from a traditional MC model for the same system, but the proposed model requires considerably less computational effort. The proposed MC model is also used to obtain information about polymer segments between branch points and dangling polymer segments.
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