Kinetic Study and Microreactor Modeling for the Polycondensation of p-Phenylenediamine and Terephthaloyl Chloride

Kinetic experiments were conducted to investigate the solution polycondensation of p-phenylenediamine (PPD) and terephthaloyl chloride (TPC) in a batch reactor in a temperature range of 0–15 °C. The experimental results indicated a kinetic regime shift from initial chemical reaction control to subsequent external diffusion control, and the intrinsic rate constants were determined by fitting experimental data. The established kinetic model was then integrated into both the plug flow reactor (PFR) model and the axial dispersion model (ADM), and subsequent validation experiments conducted in microreactors illustrated that axial dispersion cannot be ignored in microreactors. Finally, simulations were conducted based on solving ADM to predict the effects of reactor parameters and process conditions on the monomer conversion, weight-average molecular weight ( M w ), and polymer dispersity index (PDI).