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Modeling and Parameter Estimation of Step‐Growth Polymerization of Ethylene Glycol and 2,5‐Furandicarboxylic Acid (FDCA) Using the Method of Moments
Author(s) -
Lima Rafael C.,
Brandão Amanda L. T.,
Oechsler Bruno F.,
Gomes Frederico W.,
Nele Márcio,
Pinto José C.
Publication year - 2020
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/masy.202000105
Subject(s) - ethylene glycol , polymerization , transesterification , molar mass distribution , ethylene , materials science , mass transfer , kinetic energy , polymer chemistry , kinetics , chemistry , chemical engineering , organic chemistry , chromatography , polymer , catalysis , physics , quantum mechanics , engineering
The present work investigates the modeling of bulk step‐growth polymerization of ethylene glycol (EG) and 2,5‐furandicarboxylic acid (FDCA) for production of poly(ethylene‐2,5‐furandicarboxylate) (PEF), using the method of moments. The kinetic model is validated with experiments performed at distinct reaction temperatures and nitrogen flowrates. The polymerization process followed the well‐known two step procedure, where the direct esterification of EG and FDCA under continuous nitrogen flow is performed first, and the transesterification of produced oligomers is performed in sequence under vacuum. Kinetic and mass transfer rate parameters are estimated to describe the available experimental data. The obtained results confirmed that this polymerization can be highly limited by mass transfer constraints.