Mathematical Modeling of PolyetherProduction from 1,3-Propanediol: Accountingfor Linear Oligomers

摘要

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 accounting for the effects of cyclic oligomers, are suggested.