Parisa Asadi, Md Fahim Salek and Lauren E. Beckingham*,
{"title":"异质矿物学断裂系统时空演化建模","authors":"Parisa Asadi, Md Fahim Salek and Lauren E. Beckingham*, ","doi":"10.1021/acsearthspacechem.3c00322","DOIUrl":null,"url":null,"abstract":"<p >Reactive transport modeling is a critical tool for elucidating the coupling among geochemical reactions, transport processes, and fracture permeability. This study explores the implications of preferential clay-rich regions near fracture surfaces of a Mancos shale sample on the reactive evolution of the fracture by using reactive transport simulations. These simulations utilized heterogeneous mineralogy data obtained from an in-depth analysis of a clay-rich region near the fracture surface, sourced from a mechanically induced fracture. We compared these simulations with counterparts assuming homogeneous mineral distributions based on bulk X-ray diffraction (XRD) data and prior imaging of the sample matrix. The results consistently show increased reactivity in cells near the inlet and fracture surface across all scenarios. The most significant changes in the porosity, mineral composition, and ion concentration occur in cells adjacent to the fracture at the system inlet. Comparative analysis reveals variations in mineral and porosity evolutions among the three systems. Over longer simulation periods, dissolution and porosity increase occur more rapidly in simulations, reflecting mineral heterogeneity, particularly within the clay-rich region near the fracture. A sensitivity analysis of mineral surface area (SA) values shows consistent trends using both low and high Brunauer–Emmett–Teller (BET) SA values over short time scales (days) but substantial disparities over longer time scales (years). These findings hold promise for improving our ability to predict the evolution of reactive fractures, with implications for subsurface CO<sub>2</sub> sequestration and oil recovery. In summary, this study advances our understanding of reactive transport in fractured systems, offering new avenues for predictive modeling.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":null,"pages":null},"PeriodicalIF":2.9000,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Modeling the Spatial and Temporal Evolution of Fractured Systems with a Heterogenous Mineralogy\",\"authors\":\"Parisa Asadi, Md Fahim Salek and Lauren E. Beckingham*, \",\"doi\":\"10.1021/acsearthspacechem.3c00322\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Reactive transport modeling is a critical tool for elucidating the coupling among geochemical reactions, transport processes, and fracture permeability. This study explores the implications of preferential clay-rich regions near fracture surfaces of a Mancos shale sample on the reactive evolution of the fracture by using reactive transport simulations. These simulations utilized heterogeneous mineralogy data obtained from an in-depth analysis of a clay-rich region near the fracture surface, sourced from a mechanically induced fracture. We compared these simulations with counterparts assuming homogeneous mineral distributions based on bulk X-ray diffraction (XRD) data and prior imaging of the sample matrix. The results consistently show increased reactivity in cells near the inlet and fracture surface across all scenarios. The most significant changes in the porosity, mineral composition, and ion concentration occur in cells adjacent to the fracture at the system inlet. Comparative analysis reveals variations in mineral and porosity evolutions among the three systems. Over longer simulation periods, dissolution and porosity increase occur more rapidly in simulations, reflecting mineral heterogeneity, particularly within the clay-rich region near the fracture. A sensitivity analysis of mineral surface area (SA) values shows consistent trends using both low and high Brunauer–Emmett–Teller (BET) SA values over short time scales (days) but substantial disparities over longer time scales (years). These findings hold promise for improving our ability to predict the evolution of reactive fractures, with implications for subsurface CO<sub>2</sub> sequestration and oil recovery. In summary, this study advances our understanding of reactive transport in fractured systems, offering new avenues for predictive modeling.</p>\",\"PeriodicalId\":15,\"journal\":{\"name\":\"ACS Earth and Space Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2024-06-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Earth and Space Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acsearthspacechem.3c00322\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Earth and Space Chemistry","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acsearthspacechem.3c00322","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
反应迁移模型是阐明地球化学反应、迁移过程和断裂渗透性之间耦合关系的重要工具。本研究通过反应迁移模拟,探讨了曼科斯页岩样本断裂面附近富含粘土区域对断裂反应演化的影响。这些模拟利用了对断裂表面附近富含粘土区域进行深入分析后获得的异质矿物学数据,这些数据来自机械诱导断裂。我们将这些模拟结果与基于大块 X 射线衍射 (XRD) 数据和样品基质的事先成像而假设的同质矿物分布进行了比较。结果一致显示,在所有情况下,入口和断裂面附近的细胞反应性都有所提高。孔隙率、矿物成分和离子浓度的最明显变化发生在系统入口处断裂附近的细胞中。对比分析表明,三种系统的矿物和孔隙度变化各不相同。在较长的模拟周期内,模拟中的溶解和孔隙度增加更快,这反映了矿物的异质性,尤其是在断裂附近富含粘土的区域。对矿物表面积(SA)值的敏感性分析表明,在较短的时间尺度(天)内,使用较低和较高的布鲁瑙尔-艾美特-泰勒(BET)SA 值的趋势是一致的,但在较长的时间尺度(年)内则存在很大差异。这些发现有望提高我们预测反应性裂缝演变的能力,并对地下二氧化碳封存和石油采收产生影响。总之,这项研究加深了我们对断裂系统中反应性迁移的理解,为预测建模提供了新的途径。
Modeling the Spatial and Temporal Evolution of Fractured Systems with a Heterogenous Mineralogy
Reactive transport modeling is a critical tool for elucidating the coupling among geochemical reactions, transport processes, and fracture permeability. This study explores the implications of preferential clay-rich regions near fracture surfaces of a Mancos shale sample on the reactive evolution of the fracture by using reactive transport simulations. These simulations utilized heterogeneous mineralogy data obtained from an in-depth analysis of a clay-rich region near the fracture surface, sourced from a mechanically induced fracture. We compared these simulations with counterparts assuming homogeneous mineral distributions based on bulk X-ray diffraction (XRD) data and prior imaging of the sample matrix. The results consistently show increased reactivity in cells near the inlet and fracture surface across all scenarios. The most significant changes in the porosity, mineral composition, and ion concentration occur in cells adjacent to the fracture at the system inlet. Comparative analysis reveals variations in mineral and porosity evolutions among the three systems. Over longer simulation periods, dissolution and porosity increase occur more rapidly in simulations, reflecting mineral heterogeneity, particularly within the clay-rich region near the fracture. A sensitivity analysis of mineral surface area (SA) values shows consistent trends using both low and high Brunauer–Emmett–Teller (BET) SA values over short time scales (days) but substantial disparities over longer time scales (years). These findings hold promise for improving our ability to predict the evolution of reactive fractures, with implications for subsurface CO2 sequestration and oil recovery. In summary, this study advances our understanding of reactive transport in fractured systems, offering new avenues for predictive modeling.
期刊介绍:
The scope of ACS Earth and Space Chemistry includes the application of analytical, experimental and theoretical chemistry to investigate research questions relevant to the Earth and Space. The journal encompasses the highly interdisciplinary nature of research in this area, while emphasizing chemistry and chemical research tools as the unifying theme. The journal publishes broadly in the domains of high- and low-temperature geochemistry, atmospheric chemistry, marine chemistry, planetary chemistry, astrochemistry, and analytical geochemistry. ACS Earth and Space Chemistry publishes Articles, Letters, Reviews, and Features to provide flexible formats to readily communicate all aspects of research in these fields.