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

Li Chen1,2, Qinjun Kang2,*, Bruce A. Robinson3, Ya-Ling He1, and Wen-Quan Tao1

  • 1Key Laboratory of Thermo-Fluid Science and Engineering of MOE, School of Energy and Power Engineering, Xi'an Jiaotong University, Xi'an, Shaanxi 710049, China
  • 2Computational Earth Science Group (EES-16), Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
  • 3Civilian Nuclear Programs, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

  • *qkang@lanl.gov
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Phys. Rev. E 87, 043306 – Published 11 April, 2013

DOI: https://doi.org/10.1103/PhysRevE.87.043306

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.

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Phys. Rev. E 87, 043306– Published 11 April, 2013
  • Received 21 November 2012

©2013 American Physical Society

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