Batch Crystallization of Active Pharmaceutical Ingredient: Kinetics and Equilibrium Modelling

Abstract

Development of a mathematical model for batch crystallization of fesoterodine fumarate, an active pharmaceutical ingredient, in 2-butanone is presented. The model is based on population, mass and energy balances, and takes into account nucleation, crystal growth and agglomeration. Equilibrium solubility was determined experimentally by ATR-FTIR spectroscopy. Kinetic parameters were determined by fitting of experimental and simulated concentration curves and particle size distributions for six crystallization experiments, performed under different operating conditions. The model was validated and the results show good agreement with experimental data.