Micronization of Phenanthrene Using the Gas TAntisolvent Process: Part 2. Theoretical Study

In the second part of our study, a rigorous mathematical model was developed and simulated using Parsival for the gas antisolvent recrystallization process using phenanthrene-toluene-carbon dioxide as a model system, This model accounts for the governing physical phenomena, i.e., the thermodynamics of near-critical solutions, and the particle formation process controlled by primary and secondary nucleation, and crystal growth. Simulations were performed for changes in the main operating parameters, i.e., the antisolvent addition rate and saturation level. The simulations were performed at a process temperature of 25 (degree)C, while the antisolvent addition rate (QA) was varied between 1 and 100 mL/min, and the initial solute concentration was varied between 25% and 100% of the concentration ratio. The model was successfully able to predict/represent the experimental observations phenomenologically. It was shown that the simulation findings were consistent with the experimental results, and good quantitative agreement was achieved.