Jeremy T. First , Yuliana Zapata , Srivatsa Mudumba Ramana , Glen L. Gettemy , Jonathan Hodgkinson
{"title":"孔隙尺度反应输运评估CO2捕获和储存的渗透率变化","authors":"Jeremy T. First , Yuliana Zapata , Srivatsa Mudumba Ramana , Glen L. Gettemy , Jonathan Hodgkinson","doi":"10.1016/j.apgeochem.2026.106728","DOIUrl":null,"url":null,"abstract":"<div><div>Reactive transport modeling has increasingly become a key simulation capability in the risk management of subsurface operations, particularly when dealing with reactive fluids, such as monitoring of CO<sub>2</sub> plume migration in carbon capture and storage (CCS) operations. The pore-scale complexities and mineral distribution play a fundamental role in the dynamic porosity and permeability exhibited by a rock upon invasion of a reactive fluid. Here, we present an implementation of pore-scale reactive transport (PSRT) – using a generalized rate law that can be extended to any mineral – for simulating the evolving pore geometry of a digital rock due to dissolution and precipitation reactions within the rock. We validate our implementation against a well-known single-mineral benchmark simulation case and previously published microfluidics experiments, before applying the framework to a realistic CCS scenario with multiple minerals using a <span><math><mrow><mi>μ</mi><mi>CT</mi></mrow></math></span> image from an appraisal well in Texas. For our sandstone comprising calcite, quartz, clay, and feldspar, we show total dissolution of calcite and delayed, nominal dissolution of anorthite over a 2-hour time frame, resulting in a 41.1% relative increase in porosity and a 242% relative increase in permeability in the absence of grain compaction effects. We demonstrate the importance of 3D PSRT simulations for CCS scenarios by investigating the heterogeneity of mineral reaction rates. Our approach reveals relationships between porosity–permeability and porosity–tortuosity that would not be captured by lower-dimensional methods. We show that these relationships can be directly observed from PSRT simulations and interpreted via a streamline analysis of the evolving flow fields.</div></div>","PeriodicalId":8064,"journal":{"name":"Applied Geochemistry","volume":"200 ","pages":"Article 106728"},"PeriodicalIF":3.5000,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Pore-scale reactive transport for assessing permeability changes on CO2 capture and storage\",\"authors\":\"Jeremy T. First , Yuliana Zapata , Srivatsa Mudumba Ramana , Glen L. Gettemy , Jonathan Hodgkinson\",\"doi\":\"10.1016/j.apgeochem.2026.106728\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Reactive transport modeling has increasingly become a key simulation capability in the risk management of subsurface operations, particularly when dealing with reactive fluids, such as monitoring of CO<sub>2</sub> plume migration in carbon capture and storage (CCS) operations. The pore-scale complexities and mineral distribution play a fundamental role in the dynamic porosity and permeability exhibited by a rock upon invasion of a reactive fluid. Here, we present an implementation of pore-scale reactive transport (PSRT) – using a generalized rate law that can be extended to any mineral – for simulating the evolving pore geometry of a digital rock due to dissolution and precipitation reactions within the rock. We validate our implementation against a well-known single-mineral benchmark simulation case and previously published microfluidics experiments, before applying the framework to a realistic CCS scenario with multiple minerals using a <span><math><mrow><mi>μ</mi><mi>CT</mi></mrow></math></span> image from an appraisal well in Texas. For our sandstone comprising calcite, quartz, clay, and feldspar, we show total dissolution of calcite and delayed, nominal dissolution of anorthite over a 2-hour time frame, resulting in a 41.1% relative increase in porosity and a 242% relative increase in permeability in the absence of grain compaction effects. We demonstrate the importance of 3D PSRT simulations for CCS scenarios by investigating the heterogeneity of mineral reaction rates. Our approach reveals relationships between porosity–permeability and porosity–tortuosity that would not be captured by lower-dimensional methods. We show that these relationships can be directly observed from PSRT simulations and interpreted via a streamline analysis of the evolving flow fields.</div></div>\",\"PeriodicalId\":8064,\"journal\":{\"name\":\"Applied Geochemistry\",\"volume\":\"200 \",\"pages\":\"Article 106728\"},\"PeriodicalIF\":3.5000,\"publicationDate\":\"2026-03-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Applied Geochemistry\",\"FirstCategoryId\":\"89\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0883292726000521\",\"RegionNum\":3,\"RegionCategory\":\"地球科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2026/2/10 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q1\",\"JCRName\":\"GEOCHEMISTRY & GEOPHYSICS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Geochemistry","FirstCategoryId":"89","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0883292726000521","RegionNum":3,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2026/2/10 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"GEOCHEMISTRY & GEOPHYSICS","Score":null,"Total":0}
Pore-scale reactive transport for assessing permeability changes on CO2 capture and storage
Reactive transport modeling has increasingly become a key simulation capability in the risk management of subsurface operations, particularly when dealing with reactive fluids, such as monitoring of CO2 plume migration in carbon capture and storage (CCS) operations. The pore-scale complexities and mineral distribution play a fundamental role in the dynamic porosity and permeability exhibited by a rock upon invasion of a reactive fluid. Here, we present an implementation of pore-scale reactive transport (PSRT) – using a generalized rate law that can be extended to any mineral – for simulating the evolving pore geometry of a digital rock due to dissolution and precipitation reactions within the rock. We validate our implementation against a well-known single-mineral benchmark simulation case and previously published microfluidics experiments, before applying the framework to a realistic CCS scenario with multiple minerals using a image from an appraisal well in Texas. For our sandstone comprising calcite, quartz, clay, and feldspar, we show total dissolution of calcite and delayed, nominal dissolution of anorthite over a 2-hour time frame, resulting in a 41.1% relative increase in porosity and a 242% relative increase in permeability in the absence of grain compaction effects. We demonstrate the importance of 3D PSRT simulations for CCS scenarios by investigating the heterogeneity of mineral reaction rates. Our approach reveals relationships between porosity–permeability and porosity–tortuosity that would not be captured by lower-dimensional methods. We show that these relationships can be directly observed from PSRT simulations and interpreted via a streamline analysis of the evolving flow fields.
期刊介绍:
Applied Geochemistry is an international journal devoted to publication of original research papers, rapid research communications and selected review papers in geochemistry and urban geochemistry which have some practical application to an aspect of human endeavour, such as the preservation of the environment, health, waste disposal and the search for resources. Papers on applications of inorganic, organic and isotope geochemistry and geochemical processes are therefore welcome provided they meet the main criterion. Spatial and temporal monitoring case studies are only of interest to our international readership if they present new ideas of broad application.
Topics covered include: (1) Environmental geochemistry (including natural and anthropogenic aspects, and protection and remediation strategies); (2) Hydrogeochemistry (surface and groundwater); (3) Medical (urban) geochemistry; (4) The search for energy resources (in particular unconventional oil and gas or emerging metal resources); (5) Energy exploitation (in particular geothermal energy and CCS); (6) Upgrading of energy and mineral resources where there is a direct geochemical application; and (7) Waste disposal, including nuclear waste disposal.