Comparative investigation of a lattice Boltzmann boundary treatment of multiphase mass transport with heterogeneous chemical reactions.

Abstract

Multiphase reactive transport in porous media is an important component of many natural and engineering processes. In the present study, boundary schemes for the continuum species transport-lattice Boltzmann (CST-LB) mass transport model and the multicomponent pseudopotential model are proposed to simulate heterogeneous chemical reactions in a multiphase system. For the CST-LB model, a lattice-interface-tracking scheme for the heterogeneous chemical reaction boundary is provided. Meanwhile, a local-average virtual density boundary scheme for the multicomponent pseudopotential model is formulated based on the work of Li et al. [Li, Yu, and Luo, Phys. Rev. E 100, 053313 (2019)10.1103/PhysRevE.100.053313]. With these boundary treatments, a numerical implementation is put forward that couples the multiphase fluid flow, interfacial species transport, heterogeneous chemical reactions, and porous matrix structural evolution. A series of comparison benchmark cases are investigated to evaluate the numerical performance for different pseudopotential wetting boundary treatments, and an application case of multiphase dissolution in porous media is conducted to validate the present models' ability to solve complex problems. By applying the present LB models with reasonable boundary treatments, multiphase reactive transport in various natural or engineering scenarios can be simulated accurately.