Random‐Walk Modeling of Reactive Transport in Porous Media With a Reduced‐Order Chemical Basis of Conservative Components
Random‐Walk Modeling of Reactive Transport in Porous Media With a Reduced‐Order Chemical Basis of Conservative Components
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基于保守组分降阶化学基础的多孔介质中反应输运的随机游走模型
DOI：
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发表时间：
2021
影响因子：
5.4
通讯作者：
D. Fernàndez‐Garcia
中科院分区：
文献类型：
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作者：
G. Sole‐Mari;Michael J. Schmidt;D. Bolster;D. Fernàndez‐Garcia
在这项工作中，我们采用保守化学组分的降阶基，使用拉格朗日（粒子跟踪）方法模拟反应性输运。虽然这种做法在欧拉（基于网格）的背景下得到了很好的理解，但其适应拉格朗日背景需要对粒子输运性质进行新的重新表述。由于保守粒子的数量在模拟过程中不需要改变，空间分辨率在时间上保持恒定，并且不会因产品粒子数量的增加而增加计算费用。此外，这种处理简化了平衡和动力学反应之间的相互作用，并允许同时使用依赖于物种的传输算子。我们应用这种方法来模拟一套简单的测试问题，包括平衡和动力学反应，结果显示出良好的匹配与基本情况下的欧拉结果。最后，我们应用新的方法来模拟一个二维问题，关于镉的动员二氧化碳泄漏，显示所提出的方法的潜在适用性。
In this work we employ a reduced‐order basis of conservative chemical components to model reactive transport using a Lagrangian (particle tracking) method. While this practice is well‐understood in the Eulerian (grid‐based) context, its adaptation to a Lagrangian context requires a novel reformulation of particle transport properties. Because the number of conservative‐species particles need not change during simulation, spatial resolution stays constant in time, and there is no increase in computational expense due to increasing numbers of product particles. Additionally, this treatment simplifies the interaction between equilibrium and kinetic reactions and allows the use of species‐dependent transport operators at the same time. We apply this method to model a suite of simple test problems that include equilibrium and kinetic reactions, and results exhibit excellent match with base‐case Eulerian results. Finally, we apply the new method to model a 2D problem concerning the mobilization of cadmium by a CO2 leak, showing the potential applicability of the proposed methodology.
熵：（1）粒子跟踪模拟的前一个麻烦，以及（2）计算信息损失的度量
影响因子：
4.7
作者：
Benson, David A.;Pankavich, Stephen;Schmidt, Michael J.;Sole-Mari, Guillem
通讯作者：
Sole-Mari, Guillem
一种模拟不连续扩散系数输运的传质粒子跟踪方法
影响因子：
4.7
作者：
Schmidt, Michael J.;Engdahl, Nicholas B.;Pankavich, Stephen D.;Bolster, Diogo
通讯作者：
Bolster, Diogo