论文标题
改善了固定量的制剂，用于在孔隙尺度上对矿物质溶解的微核模拟
Improved Volume-of-Solid formulations for micro-continuum simulation of mineral dissolution at the pore-scale
论文作者
论文摘要
我们提出了两个新型的固定量（VOS）制剂，用于在孔隙尺度上对矿物质溶解的微颈模拟。传统的VOS公式（VOS-PSI）使用弥散界面定位功能PSI来确保稳定性并限制反应性表面的扩散。该公式的主要局限性是准确性很大程度上取决于定位函数的选择。我们的第一个小说改进的配方（IVO）使用反应通量的差异将反应定位在流体固定界面处，因此不需要定位函数。我们的第二个新颖配方（VOS-PSI'）使用具有拟合参数的定位函数，以确保反应表面积在全球范围内保存。通过与实验进行比较，使用基于任意Eulerian Lagrangian（ALE）框架的接口跟踪方法的数值模拟以及使用VOS-PSI的数值模拟来验证这两种新颖方法。 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 \ textit {intu} micro-ct实验。我们发现，IVOS结果与ALE方法获得了准确的实验结果和模拟结果匹配，而VOS-PSI方法会导致不准确性，这些不准确性主要通过VOS-PSI的配方来纠正。另外，VOS方法的速度明显快于ALE方法，其加速系数在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 \textit{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.
