Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-Scale
Improved Volume-Of-Solid Formulations for Micro-Continuum Simulation of Mineral Dissolution at the Pore-Scale
复制标题
DOI：
10.3389/feart.2022.917931
复制
发表时间：
2022-07-15
影响因子：
2.9
通讯作者：
Menke, Hannah P.
中科院分区：
文献类型：
--
作者：
Maes, Julien;Soulaine, Cyprien;Menke, Hannah P.
我们提出了两种新的体积的固体（VoS）配方的矿物溶解在孔隙尺度的微观连续模拟。传统的VoS公式（VoS-psi）使用扩散界面定位函数psi来确保稳定性并限制反应表面的扩散。这种提法的主要限制是，精度是强烈依赖于本地化功能的选择。我们的第一个新的改进配方（iVoS）使用的反应通量的发散本地化的反应在流体-固体界面，所以没有本地化功能是必需的。我们的第二个新配方（VoS-psi '）使用一个局部化函数的参数，是适合，以确保反应性表面积是保守的全球。这两种新的方法进行了验证，通过与实验，数值模拟使用的接口跟踪方法的基础上的任意欧拉拉格朗日（ALE）框架，和数值模拟使用的VoS-psi。所有的数值方法都在GeoChemFoam中实现，我们的反应性运输工具箱和三个基准测试案例在合成和真实的孔隙几何形状被认为是：1）在微通道中通过酸注入溶解方解石柱和实验比较，2）在不同溶解状态下的2D多分散圆盘微观模型中的溶解，以及3）Ketton碳酸盐岩样品中的溶解，并与原位微观模型进行比较。CT实验我们发现，iVoS的结果匹配准确的实验结果和模拟结果得到的ALE方法，而VoS-psi的方法导致的不准确，主要是纠正的VoS-psi的配方。此外，VoS方法明显快于ALE方法，加速因子在2到12之间。
We present two novel Volume-of-Solid (VoS) formulations for micro-continuum simulation of mineral dissolution at the pore-scale. The traditional VoS formulation (VoS-psi) uses a diffuse interface localization function psi to ensure stability and limit diffusion of the reactive surface. The main limitation of this formulation is that accuracy is strongly dependent on the choice of the localization function. Our first novel improved formulation (iVoS) uses the divergence of a reactive flux to localize the reaction at the fluid-solid interface, so no localization function is required. Our second novel formulation (VoS-psi') uses a localization function with a parameter that is fitted to ensure that the reactive surface area is conserved globally. Both novel methods are validated by comparison with experiments, numerical simulations using an interface tracking method based on the Arbitrary Eulerian Lagrangian (ALE) framework, and numerical simulations using the VoS-psi. All numerical methods are implemented in GeoChemFoam, our reactive transport toolbox and three benchmark test cases in both synthetic and real pore geometries are considered: 1) dissolution of a calcite post by acid injection in a microchannel and experimental comparison, 2) dissolution in a 2D polydisperse disc micromodel at different dissolution regimes and 3) dissolution in a Ketton carbonate rock sample and comparison to in-situ micro-CT experiments. We find that the iVoS results match accurately experimental results and simulation results obtained with the ALE method, while the VoS-psi method leads to inaccuracies that are mostly corrected by the VoS-psi' formulation. In addition, the VoS methods are significantly faster than the ALE method, with a speed-up factor of between 2 and 12.