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A mathematical model is developed to simulate the production of bio-based polytrimethylene ether glycol (PO3G) using 1,3-propanediol. The effect of super-acid catalyst is accounted for in the model, as is mass transfer of small species (water, monomer, and propanal) and linear oligomers (dimer to heptamer). This model correctly predicts dynamic trends in concentrations of linear oligomers, but the predicted maxima in these concentrations appear slightly earlier than in the experimental data. Predictions of the degree of polymerization (DP) are improved compared with those from a previous model, where evaporation of linear oligomers was not considered. Additional model improvements, including account

A mathematical model is developed to simulate condensation polymerization of 1,3propanediol to produce polytrimethylene glycol (PO3G) polyether. The model includes improved mass-transfer expressions that account for nonzero concentrations of water and monomer inside nitrogen bubbles and for increasing overall bubble surface area due to increases in bubble residence time. An objective function that accounts for the mole fractions of evaporated monomer, water and propanal is considered for parameter estimation.