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Kinetic investigations of polymerization of methyl methacrylate with zirconocenes
Author(s) -
Bandermann Friedhelm,
Ferenz Michael,
Sustmann Reiner,
Sicking Willi
Publication year - 2000
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/1521-3900(200010)161:1<127::aid-masy127>3.0.co;2-4
Subject(s) - methyl methacrylate , polymerization , kinetic energy , monomer , polymer chemistry , polymer , toluene , ab initio , reaction mechanism , materials science , methacrylate , thermodynamics , chemistry , organic chemistry , catalysis , physics , quantum mechanics
The polymerization of methyl methacrylate (MMA) in toluene with Cp 2 ZrMe 2 ( 1 ) – Ph 3 C + B(C 6 F 5 ) 4 − ( 4 ) as initiating system was kinetically investigated. This system can be regarded as a combination of the systems described by Collins and Soga. Only if the ratio of 1/4 was larger than 1, monomer conversions of more than 99% and polymers with number‐average molecular weights higher than 200 000 and polydispersities 1.5–1.6 were obtained. From a kinetic analysis of time‐conversion curves using the software package Predici, it can be deduced that the mechanism is consistent with that proposed by Collins et al. However, the mechanism has to be extended by incorporating a first‐order termination reaction of the active species. Rate coefficients of all elementary reactions were determined from time‐conversion curves. The kinetic investigations were accompanied by ab initio calculations, which support the assumed kinetic model.