title: Pore-scale modeling of multiphase reactive transport with phase transitions and dissolution-precipitation processes in closed systems.
abstract: A pore-scale model based on the lattice Boltzmann (LB) method is developed for multiphase reactive transport with phase transitions and dissolution-precipitation processes. The model combines the single-component multiphase Shan-Chen LB model [X. Shan and H. Chen, Phys. Rev. E 47, 1815 (1993)], the mass transport LB model [S. P. Sullivan et al., Chem. Eng. Sci. 60, 3405 (2005)], and the dissolution-precipitation model [Q. Kang et al., J. Geophys. Res. 111, B05203 (2006)]. Care is taken to handle information on computational nodes undergoing solid-liquid or liquid-vapor phase changes to guarantee mass and momentum conservation. A general LB concentration boundary condition is proposed that can handle various concentration boundaries including reactive and moving boundaries with complex geometries. The pore-scale model can capture coupled nonlinear multiple physicochemical processes including multiphase flow with phase separations, mass transport, chemical reactions, dissolution-precipitation processes, and dynamic evolution of the pore geometries. The model is validated using several multiphase flow and reactive transport problems and then used to study the thermal migration of a brine inclusion in a salt crystal. Multiphase reactive transport phenomena with phase transitions between liquid-vapor phases and dissolution-precipitation processes of the salt in the closed inclusion are simulated and the effects of the initial inclusion size and temperature gradient on the thermal migration are investigated.
authors.affiliation: Key Laboratory of Thermo-Fluid Science and Engineering of MOE, School of Energy and Power Engineering, Xi'an Jiaotong University, Xi'an, Shaanxi 710049, China.
authors.forename: Li
authors.initials: L
authors.lastname: Chen
authors.forename: Qinjun
authors.initials: Q
authors.lastname: Kang
authors.forename: Bruce A
authors.initials: BA
authors.lastname: Robinson
authors.forename: Ya-Ling
authors.initials: YL
authors.lastname: He
authors.forename: Wen-Quan
authors.initials: WQ
authors.lastname: Tao