Mathematical Models of Polyether Production From Bio-Based 1,3-Propanediol
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This research develops mathematical models to simulate PO3G productions using super-acid catalyst in a batch reactor, to predict super-acid catalyst effects on the polymerization rates and product qualities. The models describe dynamic changes in concentrations of monomer, water, propanal, linear and cyclic oligomers, hydroxyl ends and unsaturated ends. The models also predict degree of polymerization and the rates of mass-transfer of linear and cyclic oligomers from the liquid to the nitrogen gas bubbles. The PO3G model¬s¬¬ will be useful to understand the kinetics of acid-induced condensation polymerization, the designs of advanced batch reactors, and optimization of operating conditions in large-scale industrial reactors.