This Small Business Innovation Research Phase I project is for development of lattice Boltzmann methods (LBM) for computational fluid dynamics (CFD) of multiphase and reaction. The proposed work will develop LBM for interface capturing based on phase-field models - an area at the cutting edge of current research. The LBM codes will be developed and validated with phasefield approaches for phase change, with a wide range of phase density contrasts, and mass transfer, with and without reactions.
The proposed developments, if successful, will bring within industry's reach high-fidelity simulations of a variety of multiphase reactors and separations equipment saving considerable time and money for design and scale up. The proposed developments would have impact far beyond the chemical sector, e.g. with wide applications to power systems and environmental simulations.