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Mathematical Modeling of Nylon 6/6,6 Copolymerization: Beneficial Influence of Comonomers on Degree of Polymerization in Batch Reactor
Author(s) -
Liu Fei F.,
Hurley James M.,
Khare Neeraj P.,
McAuley Kim B.
Publication year - 2017
Publication title -
macromolecular reaction engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 32
eISSN - 1862-8338
pISSN - 1862-832X
DOI - 10.1002/mren.201700002
Subject(s) - caprolactam , copolymer , adipic acid , polymer chemistry , hydrolysis , nylon 6 , polymerization , monomer , condensation polymer , materials science , polymer , chemistry , chemical engineering , organic chemistry , engineering
A model is developed for hydrolytic copolymerization of caprolactam with hexamethylene diamine (HMD) and adipic acid (ADA) in a batch reactor to produce nylon 6/6,6 copolymer. The reaction mechanism includes hydrolysis of caprolactam and cyclic dimer, polycondensation, polyaddition, transamidation, and ring formation via end biting and back biting. The catalyzing effect of carboxyl groups is accounted for using kinetic parameters from the literature. Model predictions are compared with low‐temperature literature data before simulating reactor conditions of industrial interest. The model predicts a higher degree of polymerization (DP) for nylon 6/6,6 copolymer compared to nylon 6 and 6,6 homopolymers produced using the same reactor conditions. Dynamic changes in concentrations of water, caprolactam, HMD, ADA, and end groups are tracked and used to explain the positive influence of comonomers on reaction rates and DP. Insights gained from this model will form a useful basis to build future models of continuous industrial reactors.