Mathematical modeling to predict the size and nucleation rate of micro and nanoparticles using the scale-up process with supercritical CO2

Abstract

This paper presents a mathematical methodology capable of predicting the size and nucleation rate of micro and nano particles using the curtet number as a proposal for increasing the scale in laboratory processes. Using a computational model of fluid dynamics, which takes into account the hydrodynamic behavior of the flow and the dispersion of the jet of organic solutions in pressurized carbon dioxide to the Supercritical Antisolvent (SAS) process, it is possible to accurately predict particle size and nucleation rate at different scales for different mixtures with varying operating conditions. In general, the proposal to increase the scale in processes involving the precipitation of micro and nanoparticles is very versatile and computationally efficient, since in addition to combining a computational fluid dynamics approach with population equilibrium, it solves its equations independently, negating excessive computational demand and guaranteeing a shorter simulation time.