Modeling and Parameter Estimation of Step‐Growth Polymerization of Ethylene Glycol and 2,5‐Furandicarboxylic Acid (FDCA) Using the Method of Moments

Abstract

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.