Open-Source Software for the Multiscale Modeling of Combined Antisolvent and Cooling Crystallization in Turbulent Flow Using OpenFOAM

The software implements a multiscale model, capable of predicting macro to micro-mixing scales, as well as the full crystal size distribution (CSD) and energy conservation, including non-ideal mixing rules. The Reynolds-averaged Navier-Stokes equation with variable properties is coupled with a three-environment presumed probability density function (PDF) micro-mixing model, the spatially varying population balance equation semi-discretized using a high-resolution finite-volume method, and energy balance and scalar transport equations.

Copyright (C) 2018 Cezar A. da Rosa and Richard D. Braatz

This file is part of openCrys. openCrys is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. openCrys is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with openCrys. If not, see <https://www.gnu.org/licenses/>. 

OpenFOAM 5.x is required to compile the software.

Please refer to the following articles for more information:

1 - Cezar A. da Rosa, and Richard D. Braatz. Multiscale Modeling and Simulation of Macromixing, Micromixing, and Crystal Size Distribution in Radial Mixers/Crystallizers. Ind. Eng. Chem. Res., 2018, 57 (15), pp 5433–5441

2 - Cezar A. da Rosa, and Richard D. Braatz. openCrys: Open-Source Software for the Multiscale Modeling of Combined Antisolvent and Cooling Crystallization in Turbulent Flow Using OpenFOAM. Ind. Eng. Chem. Res. (Revision submission).