Optimum Batch-Reactor Operation for the Synthesis of Biomass-Derived Renewable Polyesters

For the first time, we present the process simulation and multiobjective optimization of the batch-reactor polyesterification of a library of biomass-derived renewable polyesters: poly(1,5-pentylene 2,5-furandicarboxylate) (PTF), poly(1,5-pentylene succinate) (PTS), and poly(1,5-pentylene 2,5-furandicarboxylate- co -1,5-pentylene succinate (PTFTS). The simulation environment was implemented in Aspen Plus, and the ε-constraint method was employed for the optimization problem, considering two objective functions that maximize the number-average degree of polymerization (DPN) and minimize the heat duty Q . The performance of the biobased polyesters was compared to that of poly(ethylene terephthalate) (PET). The kinetic rate expressions were defined following the functional-group approach, and the parameters were estimated by fitting a polyesterification model found in the literature to the experimental data. The present work provides comprehensive fundamental information toward a feasible process design and scale-up of the esterification of biomass-derived products.