Pore-Scaled investigation on dynamic carbonation mechanism of calcium oxide particles

Carbonation of high-temperature calcium oxide is one of the main means of calcium looping thermochemical heat storage and it has unique advantages in carbon capture and energy conversion and utilization. This work is the first to construct the carbonation process of a single calcium oxide particle from pore size by using the lattice Boltzmann method. At the same time, considering the diffusion of gas in the solid, the reaction source term is optimized to a volume source term to be closer to the real situation. The results show that the establishment of the method can better reflect the micro-flow diffusion mass transfer and heat release process inside the pores. The multi-field coupling method can be extended to many areas of the porous microstructure of gas–solid reaction, which guides significance for macro-reactor design and optimization of the particle structure, and produces far-reaching value in carbon neutrality and new energy exploitation.