Formation of perfluoropolyether coatings by the rapid expansion of supercritical solutions (RESS) process. Part 2: Numerical modeling

The rapid expansion of supercritical solutions (RESS) process is a promising method for the production of ultrafine powders and aerosols of narrow size distribution for coatings and other applications. In this article, part 2 of a two-part study, the nucleation and subsequent growth of 2500 M-w perfluoropolyether diamide (PFD) from supercritical carbon dioxide (CO2) by expansion through a small-diameter nozzle is modeled in a three-stage, multidimensional fashion. The stages include a hydrodynamic solution, solvent-solute phase equilibria analyses, and an aerosol transport model. The hydrodynamics model successfully captures the vapor-liquid transition that occurs as carbon dioxide is expanded to ambient conditions. Cloud-point pressures and equilibrium compositions of the separated solvent-solute system are determined and are used in a multidimensional aerosol transport model. This model incorporates various mechanisms influencing droplet growth. Parametric studies are conducted to investigate the influences of the interfacial tension, the equilibrium addition of carbon dioxide, and the diffusion coefficient on the predicted droplet diameter. Turbulent coagulation in the ambient region downstream of the expansion nozzle is found to be the dominant mechanism responsible for the production of micron-sized droplets observed in companion experiments.