Pore-scale modeling of multiphase reactive transport with phase transitions and dissolution-precipitation processes in closed systems

L Chen, Q Kang, BA Robinson, YL He, WQ Tao - Physical Review E—Statistical …, 2013 - APS
L Chen, Q Kang, BA Robinson, YL He, WQ Tao
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics, 2013APS
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) PLEEE8 1063-651X 10.1103/PhysRevE. 47.1815], the mass
transport LB model [SP Sullivan, Chem. Eng. Sci. 60, 3405 (2005) CESCAC 0009-2509
10.1016/j. ces. 2005.01. 038], and the dissolution-precipitation model [Q. Kang, J. Geophys …
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)PLEEE81063-651X10.1103/PhysRevE.47.1815], the mass transport LB model [S. P. Sullivan , Chem. Eng. Sci. 60, 3405 (2005)CESCAC0009-250910.1016/j.ces.2005.01.038], and the dissolution-precipitation model [Q. Kang , J. Geophys. Res. 111, B05203 (2006)JGREA20148-022710.1029/2005JB003951]. 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.
American Physical Society
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