We present the reactor simulation,
multiobjective optimization, and the process intensification of biomass-derived
polyesters: poly(1,5 pentylene 2,5-furan dicarboxylate) (PPeF), poly(1,5-pentylene
2,5-furandicarboxylate-co-1,5-pentylene succinate)
(PPeFS), and poly(1,5-pentylene succinate) (PPeS). A plug flow reactor
(PFR) was the first configuration considered, and the intensification
of the polyesterification was done considering a reactive distillation
(RD) and a divided wall column (DW) configuration. The process simulations
along with the ε-constraint optimization methodology and sensitivity
analyses were implemented in Aspen Plus for a step-growth polymerization
mechanism, where the segment concentration profiles, number molecular
weight (M
n), and degree of polymerization
(DPN) were estimated for each polyester, using poly(ethylene terephthalate)
(PET) as the reference polyester. The M
n values obtained were in the range of 2300–4800 Da, suitable
for coil coating applications, and the optimum operation temperatures
were between 205 and 230 °C. The configurations were compared
in terms of common sustainability indicators: CO2 emissions
(GWP), energy intensity (R
SEI), and mass
efficiency (ME). It was determined that the GWP for PPeF was the lowest
of all the polymers, and approximately 50% lower than that for PET
in the PFR synthesis. The synthesis of PPeF represented the lowest
net energy consumption, followed by PPeFS 30/70, regardless of the
reactor configuration. In all cases, reactive distillation was the
most energy efficient configuration, as the R
SEI indicator was below those corresponding to PFR and divided
wall, which proves the effect of the intensification in an industrial
polyesterification reaction.