Prediction and analysis of carbamazepine polymorphs, in the ASAIS Process, using Computational Fluid Dynamics

Abstract

The Atomization of Supercritical Antisolvent-Induced Suspensions (ASAIS) process is used to generate crystalline carbamazepine samples, using a methanol solvent and supercritical CO2 antisolvent. The carbamazepine/methanol solution flowrate into the ASAIS nozzle is varied to generate different polymorphic forms of carbamazepine. A Computational Fluid Dynamics model for each flowrate is created to examine fluid behaviour within the ASAIS nozzle where mixing fluids, and subsequent nucleation, occurs. Two polymorphs of carbamazepine are identified through Powder X-Ray Diffraction, with traces of a third form. Using post-processing tools within the CFD model, key fluid phenomena are identified and related to each crystal polymorph formed.

Date of Award	21 Jan 2020
Original language	English (Ireland)
Awarding Institution	University of Limerick
Supervisor	Luis Padrela (Supervisor)