An improved lattice Boltzmann model for multicomponent reactive transport in porous media at the pore scale
An improved lattice Boltzmann model for multicomponent reactive transport in porous media at the pore scale
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DOI：
10.1029/2006wr005551
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发表时间：
2007-11-29
影响因子：
5.4
通讯作者：
Zhang, Dongxiao
中科院分区：
文献类型：
--
作者：
Kang, Qinjun;Lichtner, Peter C.;Zhang, Dongxiao
在本文中，我们改进了格子玻尔兹曼孔隙尺度模型的多组分反应输运在多孔介质中的发展在以前的研究。而不是应用热边界条件的溶质运移，我们严格推导出的总溶质浓度的分布函数边界条件。这首先通过根据相应的浓度及其梯度校正颗粒分布函数的表达式来实现，然后通过推导和使用分布函数的非平衡部分在相反方向上具有相反符号的关系来实现。我们实现了新的边界条件在二维九速（D2Q9）和四速（D2Q4）晶格。在各种化学和几何系统中，使用不同的模型进行反应性运输的模拟，结果进行了比较，解析表达式或二维FLOTRAN模拟。结果发现，与此新的边界条件，溶质质量是严格保守的非均相反应，是不是使用热边界条件的情况下。与D2Q9模型相比，D2Q4模型具有相当的精度和更好的计算效率。
In this paper, we improve the lattice Boltzmann pore-scale model for multicomponent reactive transport in porous media developed in a previous study. Instead of applying a thermal boundary condition to solute transport, we rigorously derive the distribution function boundary condition for the total solute concentration. This is achieved first by correcting an expression of the particle distribution function in terms of the corresponding concentration and its gradient and then by deriving and using the relation that the nonequilibrium portion of the distribution function in opposite directions takes on opposite signs. We implement the new boundary condition in both the two-dimensional nine-speed (D2Q9) and four-speed (D2Q4) lattices. Simulations of reactive transport in various chemical and geometrical systems using different models are carried out, and results are compared to analytic expressions or two-dimensional FLOTRAN simulations. It is found that with this new boundary condition, the solute mass is strictly conserved by heterogeneous reactions, as was not the case using the thermal boundary condition. It is also found that compared with the D2Q9 model, the D2Q4 model has comparable accuracy and better computational efficiency.