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Modeling and simulation of urethane acrylates synthesis. I. Kinetics of uncatalyzed reaction of toluene diisocyanate with a monoalcohol
Author(s) -
Grepinet B.,
Pla F.,
Hobbes Ph.,
Swaels Ph.,
Monge Th.
Publication year - 2000
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/(sici)1097-4628(20000131)75:5<705::aid-app13>3.0.co;2-h
Subject(s) - isocyanate , acrylate , toluene diisocyanate , toluene , polymer chemistry , chemistry , polyurethane , reaction rate constant , polymerization , kinetics , titration , materials science , organic chemistry , polymer , copolymer , physics , quantum mechanics
Toluene diisocyanate (TDI) reacts with 2‐hydroxyethyl acrylate (HEA) during the synthesis of some urethane acrylate oligomers. The present work deals with kinetic studies of the uncatalyzed bulk reaction of TDI with this monoalcohol. Back‐titration and 1 H ‐NMR in combination with HPLC are used to follow the reaction and allow a complete description of the system. The global reaction rate as well as those of each individual isocyanate group are well described by a second‐order equation. Kinetic constants were calculated using the software SIMULBATCH®. The rates of the different isocyanate groups, which characterize their selectivity, are compared and the model developed in the present study allows for a good prediction of the product structure and a better control of the polymerization process and the end‐use properties as well. © 2000 John Wiley & Sons, Inc. J Appl Polym Sci 75: 705–712, 2000