Mathematical Modeling of Arborescent Polyisobutylene Production in Batch Reactors

Mathematical Modeling of Arborescent Polyisobutylene Production in Batch Reactors

A novel model describes copolymerization of isobutylene and inimer (initiator‐monomer) via living carbocationic polymerization. Six different propagation rate constants and two types of equilibrium reactions are considered. Simplifying assumptions are made to enable implementation in PREDICI, so tha...

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Veröffentlicht in:Macromolecular theory and simulations 2013-03, Vol.22 (3), p.155-173
Hauptverfasser: Zhao, Yutian R., McAuley, Kimberley B., Puskas, Judit E., Dos Santos, Lucas M., Alvarez, Alejandra
Format: Artikel
Sprache:eng
Schlagworte:
carbocationic polymerizations
Computer simulation
Copolymerization
hyperbranched
Mathematical models
Molecular weight distribution
molecular weight distributions
polyisobutylene
Polyisobutylenes
Polymers
Rate constants
Reactors
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Beschreibung
Zusammenfassung:A novel model describes copolymerization of isobutylene and inimer (initiator‐monomer) via living carbocationic polymerization. Six different propagation rate constants and two types of equilibrium reactions are considered. Simplifying assumptions are made to enable implementation in PREDICI, so that the molecular weight distribution (MWD) could be predicted for molecules with different branching levels. Four apparent rate constants were estimated from experimental data with
ISSN:1022-1344
1521-3919
DOI:10.1002/mats.201200058