Yang Jun-Yu, Dai Xiao-Ye, Xu Qiang-Hui, Liu Zhi-Ying, Shi Lin
Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Energy and Power Engineering, Tsinghua University, Beijing 100084, China.
Phys Rev E. 2022 May;105(5-2):055302. doi: 10.1103/PhysRevE.105.055302.
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.
多孔介质中的多相反应输运是许多自然和工程过程的重要组成部分。在本研究中，提出了连续介质物种输运-格子玻尔兹曼（CST-LB）质量输运模型和多组分伪势模型的边界方案，以模拟多相系统中的非均相化学反应。对于CST-LB模型，提供了一种用于非均相化学反应边界的格子界面跟踪方案。同时，基于Li等人的工作[Li, Yu, and Luo, Phys. Rev. E 100, 053313 (2019)10.1103/PhysRevE.100.053313]，制定了多组分伪势模型的局部平均虚拟密度边界方案。通过这些边界处理，提出了一种数值实现方法，该方法将多相流体流动、界面物种输运、非均相化学反应和多孔基质结构演化耦合在一起。研究了一系列比较基准案例，以评估不同伪势润湿边界处理的数值性能，并进行了多孔介质中多相溶解的应用案例，以验证本模型解决复杂问题的能力。通过应用具有合理边界处理的当前LB模型，可以准确模拟各种自然或工程场景中的多相反应输运。
