Chen Li, Kang Qinjun, Robinson Bruce A, He Ya-Ling, Tao Wen-Quan
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.
Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Apr;87(4):043306. doi: 10.1103/PhysRevE.87.043306. Epub 2013 Apr 11.
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.
基于格子玻尔兹曼（LB）方法开发了一种孔隙尺度模型，用于研究包含相变和溶解 - 沉淀过程的多相反应输运。该模型结合了单组分多相的 Shan - Chen LB 模型[X. Shan 和 H. Chen，《物理评论 E》47，1815（1993）]、质量输运 LB 模型[S. P. Sullivan 等人，《化学工程科学》60，3405（2005）]以及溶解 - 沉淀模型[Q. Kang 等人，《地球物理研究杂志》111，B05203（2006）]。在处理经历固 - 液或液 - 气相变的计算节点上的信息时十分小心，以确保质量和动量守恒。提出了一种通用的 LB 浓度边界条件，该条件可以处理各种浓度边界，包括具有复杂几何形状的反应性边界和移动边界。该孔隙尺度模型能够捕捉耦合的非线性多个物理化学过程，包括伴有相分离的多相流、质量输运、化学反应、溶解 - 沉淀过程以及孔隙几何形状的动态演化。该模型通过几个多相流和反应输运问题进行了验证，然后用于研究盐晶体中盐水包裹体的热迁移。模拟了封闭包裹体中液 - 气相之间的相变以及盐的溶解 - 沉淀过程中的多相反应输运现象，并研究了初始包裹体尺寸和温度梯度对热迁移的影响。
