Experimentally-validated micromixing-based CFD model for fed-batch stirred-tank reactors

A model was developed to predict the final product distribution in fed-batch, stirredtank reactors carrying out fast, parallel, chemical reactions, and the predictions were compared with experimental data. The following reaction system was chosen: k(1) A+B-->P+R k(2) A+C-->Q+S Comparison between the experimentally determined flow field inside the reactor, obtained with a laser-doppler velocimeter (LDV), and the predictions from computational fluid dynamics (CFD) simulations was favorable. A model was developed to predict the yield, X-S, of forming S from A, using CFD to describe the velocity distribution inside the reactor, two micromixing models to represent the interaction between turbulence effects and chemical reactions, and a multiphase model (Volume of Fluid (VOF) model) to track the reacting zone in a Lagrangian fashion. Model predictions for XS were compared with experimental data. The agreement between the experiments and the results of the simulations was good. (C) 2004 American Institute of Chemical Engineers.