A sequential approach for numerical simulation of two-phase multicomponent flow with reactive transport in porous media
A sequential approach for numerical simulation of two-phase multicomponent flow with reactive transport in porous media
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DOI：
10.1016/j.matcom.2016.11.007
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发表时间：
2017-07
期刊：
影响因子：
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通讯作者：
E. Ahusborde;M. E. Ossmani
中科院分区：
文献类型：
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作者：
E. Ahusborde;M. E. Ossmani
提出了一种新的含地球化学孔隙介质可压两相流数值解格式。这个问题是仿照质量平衡法为每个阶段，达西-马斯卡特定律，和毛细管压力法。与化学的耦合通过反应速率发生。这些速率在动力学化学反应中可以是浓度的非线性函数，在平衡化学反应中可以是未知的。每个动力学反应产生一个常微分方程，而每个平衡反应产生一个质量作用定律，这是一个代数关系，联系有关物种的活动。采用隐式有限体积法求解两相流方程，然后将其与求解反应输运问题的方法相耦合。更准确地说，我们首先使用并行开源模拟器DuMu X中实现的模块2 p 2 c来求解具有两个主导物种的简化两相两组分流动，而没有化学。其次，我们已经开发并集成了一个反应性运输模块的DuMu X框架处理其他物种使用顺序迭代方法（SIA），其中运输，平衡化学反应和动力学化学反应顺序解决。一个新的模块的运输和代码使用GSL库的化学问题已经耦合。最后，我们的方法已经通过解决几个测试案例进行了验证。在这里，我们将提出两个基准测试，以证明我们的方法的能力，近似解决方案的单相和两相流与反应输运在非均质多孔介质。
We develop a new scheme for numerical solution of immiscible compressible two-phase flow in porous media with geochemistry. The problem is modelled by the mass balance law for each phase, Darcy–Muskat’s law, and the capillary pressure law. Coupling with chemistry occurs through reactions rates. These rates can be either given nonlinear functions of concentrations in the case of kinetic chemical reactions or unknown for equilibrium chemical reactions. Each kinetic reaction produces an ordinary differential equation while each equilibrium reaction gives rise to a mass action law that is an algebraic relation that links the activities of concerned species. An implicit finite volume scheme is applied to solve the two-phase flow equations, which is then sequentially coupled to a method for solving the reactive transport problem. More precisely, we used firstly the module 2 p 2 c implemented in the parallel open-source simulator DuMu X to solve a simplified two-phase two-component flow with two dominant species without chemistry. Secondly, we have developed and integrated a reactive transport module in the DuMu X framework to deal with the other species using a sequential iterative approach (SIA) where transport, equilibrium chemical reactions and kinetic chemical reactions are solved sequentially. A new module for transport and a code using the GSL library for the chemical problem have been coupled. Finally, our approach has been validated by solving several test cases. Here we will present two benchmark tests to demonstrate the ability of our method to approximate solutions of single and two-phase flows with reactive transport in heterogeneous porous media.