Kinetic Simulation of Carbocationic Polymerizations. I: Simulation of Living Isobutylene Polymerization
The kinetic behaviour of living isobutylene polymerization initiated by TMPCI/TiCI4 at −80 °C in Hx/MeCl solvent mixture was simulated using the PREDICI® polymerization simulation software. The basis of the simulation was the newly developed comprehensive mechanistic scheme, involving a series of consecutive and competitive reactions. This scheme accounts for the interesting phenomenon that living isobutylene polymerization may display either first or second order dependence on [TiCl4]0, depending on reaction conditions. The complex mechanism of the system was simplified and the kinetics was described using composite rate constants. The simulation results showed good agreement with experimental data.
Polymer Reaction Engineering
Puskas, Judit and Peng, Haihong, "Kinetic Simulation of Carbocationic Polymerizations. I: Simulation of Living Isobutylene Polymerization" (1999). Chemical and Biomolecular Engineering Faculty Research. 521.