Sarah Perez, Jean-Matthieu Etancelin, Philippe Poncet
{"title":"A semi-Lagrangian method for the direct numerical simulation of crystallization and precipitation at the pore scale","authors":"Sarah Perez, Jean-Matthieu Etancelin, Philippe Poncet","doi":"arxiv-2409.05449","DOIUrl":null,"url":null,"abstract":"This article introduces a new efficient particle method for the numerical\nsimulation of crystallization and precipitation at the pore scale of real rock\ngeometries extracted by X-Ray tomography. It is based on the coupling between\nsuperficial velocity models of porous media, Lagrangian description of\nchemistry using Transition-State-Theory, involving underlying grids. Its\nability to successfully compute dissolution process has been established in the\npast and is presently generalized to precipitation and crystallization by means\nof adsorption modeling. Numerical simulations of mineral CO2 trapping are\nprovided, showing evidence of clogging/non-clogging regimes, and one of the\nmain results is the introduction of a new non-dimensional number needed for\nthis characterization.","PeriodicalId":501162,"journal":{"name":"arXiv - MATH - Numerical Analysis","volume":"10 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv - MATH - Numerical Analysis","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2409.05449","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
This article introduces a new efficient particle method for the numerical
simulation of crystallization and precipitation at the pore scale of real rock
geometries extracted by X-Ray tomography. It is based on the coupling between
superficial velocity models of porous media, Lagrangian description of
chemistry using Transition-State-Theory, involving underlying grids. Its
ability to successfully compute dissolution process has been established in the
past and is presently generalized to precipitation and crystallization by means
of adsorption modeling. Numerical simulations of mineral CO2 trapping are
provided, showing evidence of clogging/non-clogging regimes, and one of the
main results is the introduction of a new non-dimensional number needed for
this characterization.
本文介绍了一种新的高效粒子方法,用于对通过 X 射线断层扫描提取的真实岩石几何结构的孔隙尺度上的结晶和沉淀进行数值模拟。该方法基于多孔介质表层速度模型和使用过渡态理论的拉格朗日化学描述之间的耦合,涉及底层网格。该模型成功计算溶解过程的能力已在过去得到证实,目前正通过吸附建模将其推广到沉淀和结晶。提供了矿物二氧化碳捕集的数值模拟,显示了堵塞/非堵塞机制的证据,主要成果之一是引入了表征该特征所需的新的非维数。