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Keywords = CO2–water–rock interaction

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39 pages, 13928 KB  
Article
Genesis of the Hadamengou Gold Deposit, Northern North China Craton: Constraints from Ore Geology, Fluid Inclusion, and Isotope Geochemistry
by Liang Wang, Liqiong Jia, Genhou Wang, Liangsheng Ge, Jiankun Kang and Bin Wang
Minerals 2026, 16(1), 99; https://doi.org/10.3390/min16010099 - 20 Jan 2026
Viewed by 328
Abstract
The Hadamengou gold deposit, hosted in the Precambrian metamorphic basement, is a super-large gold deposit occurring along the northern margin of the North China Craton. Despite extensive investigation, the genesis of the gold mineralization is poorly understood and remains highly debated. This study [...] Read more.
The Hadamengou gold deposit, hosted in the Precambrian metamorphic basement, is a super-large gold deposit occurring along the northern margin of the North China Craton. Despite extensive investigation, the genesis of the gold mineralization is poorly understood and remains highly debated. This study integrates a comprehensive dataset, including fluid inclusion microthermometry and C-H-O-S-Pb isotopes, to better constrain the genesis and ore-forming mechanism of the deposit. Hydrothermal mineralization can be divided into pyrite–potassium feldspar–quartz (Stage I), quartz–gold–pyrite–molybdenite (Stage II), quartz–gold–polymetallic sulfide (Stage III), and quartz–carbonate stages (Stage IV). Four types of primary fluid inclusions are identified, including pure CO2-type, composite CO2-H2O-type, aqueous-type, and solid-daughter mineral-bearing-type inclusions. Microthermometric and compositional data reveal that the fluids were mesothermal to hypothermal, H2O-dominated, and CO2-rich fluids containing significant N2 and low-to-moderate salinity, indicative of a magmatic–hydrothermal origin. Fluid inclusion assemblages further imply that the ore-forming fluids underwent fluid immiscibility, causing CO2 effusion and significant changes in physicochemical conditions that destabilized gold bisulfide complexes. The hydrogen–oxygen isotopic compositions, moreover, support a dominant magmatic water source, with increasing meteoric water input during later stages. The carbon–oxygen isotopes are also consistent with a magmatic carbon source. Sulfur and lead isotopes collectively imply that ore-forming materials were derived from a hybrid crust–mantle magmatic reservoir, with minor contribution from the country rocks. By synthesizing temporal–spatial relationships between magmatic activity and ore formation, and the regional tectonic evolution, we suggest that the Hadamengou is an intrusion-related magmatic–hydrothermal lode gold deposit. It is genetically associated with multi-stage magmatism induced by crust–mantle interaction, which developed within the extensional tectonic regimes. Full article
(This article belongs to the Section Mineral Deposits)
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18 pages, 5163 KB  
Article
CO2 Quasi-Dry Fracturing Technology and Field Application in the Lulehe Formation of the Qaidam Basin
by Hengli Zhai, Xing Yu, Xianbo Meng, Kai Sun, Xiaowei Zhang, Yaopu Xu, Haizhu Wang, Bin Wang and Yan Zheng
Processes 2026, 14(2), 216; https://doi.org/10.3390/pr14020216 - 7 Jan 2026
Viewed by 215
Abstract
Sensitive reservoirs with high clay content commonly suffer from severe water/salt sensitivity and water-lock damage during conventional water-based hydraulic fracturing, which reduces fracture conductivity and post-stimulation performance. To address this issue, we propose a CO2 quasi-dry fracturing approach that combines the low-damage [...] Read more.
Sensitive reservoirs with high clay content commonly suffer from severe water/salt sensitivity and water-lock damage during conventional water-based hydraulic fracturing, which reduces fracture conductivity and post-stimulation performance. To address this issue, we propose a CO2 quasi-dry fracturing approach that combines the low-damage feature of CO2 dry fracturing with the proppant-carrying capacity of a water-based system under atmospheric sand mixing conditions. Taking Well S in the Lulehe Formation (Qaidam Basin) as a case study, we conducted reservoir sensitivity evaluation, laboratory fluid/rock interaction tests, and a field trial with microseismic monitoring. The reservoir is dominated by water and salt sensitivity, indicating high risk of damage when using conventional fluids. Laboratory results show that the CO2 quasi-dry system improves swelling inhibition and enhances core structural stability compared with fresh water. Field implementation was operationally stable and generated an effective stimulated reservoir volume on the order of 105 m3; post-fracturing oil production increased relative to nearby offset wells with a high flowback ratio. The results demonstrate that CO2 quasi-dry fracturing provides an effective low-damage stimulation option for strongly sensitive reservoirs and can be transferred to similar formations. Full article
(This article belongs to the Section Energy Systems)
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19 pages, 4698 KB  
Article
The Variation Law of Mineral Composition and Pore Structure in the Shale Oil of Mabei Fengcheng Formation Under the Action of CO2
by Jianmin Li, Shicheng Zhang, Kaixin Liu, Mingxing Wang, Jingfeng Dong, Li Yang and Yushi Zou
Processes 2025, 13(12), 3985; https://doi.org/10.3390/pr13123985 - 9 Dec 2025
Viewed by 342
Abstract
This study investigates the effects of CO2–water–rock interactions on shale oil reservoirs, specifically focusing on the mineral dissolution and pore structure alterations in shale samples from the second section of the Permian Fengcheng Formation in the Mahu Depression, Junggar Basin. Core [...] Read more.
This study investigates the effects of CO2–water–rock interactions on shale oil reservoirs, specifically focusing on the mineral dissolution and pore structure alterations in shale samples from the second section of the Permian Fengcheng Formation in the Mahu Depression, Junggar Basin. Core soaking experiments were conducted under high-temperature and high-pressure conditions to simulate reservoir environments. Mineral evolution, ion migration, and microstructural changes were qualitatively and quantitatively analyzed using X-ray Diffraction (XRD), Inductively Coupled Plasma (ICP) spectroscopy, and Scanning Electron Microscopy (SEM). The findings indicate that CO2-induced mineral dissolution follows a distinct sequence: calcite > dolomite > potassium feldspar > sodium feldspar, which is directly reflected in the concentration of ions (Ca2+ > Mg2+ > K+ > Na+) in the solution. The dissolution rate and pore structure enhancement are significantly influenced by lamina density, with dolomitic rocks with high lamina density showing greater dissolution and porosity increase, and the lamina area greater than the matrix area. This study demonstrates that the dynamic changes of rock minerals are the core mechanism for controlling the pore structure of reservoirs, showing how CO2–water–rock reaction enhances the porosity and connectivity of shale reservoirs, thereby improving oil recovery potential. Full article
(This article belongs to the Section Petroleum and Low-Carbon Energy Process Engineering)
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23 pages, 5337 KB  
Article
Hydrogeochemical Characteristics of Hot Springs and Mud Volcanoes and Their Short-Term Seismic Precursor Anomalies Around the Muji Fault Zone, Northeastern Pamir Plateau
by Shihan Cui, Fenna Zhang, Xiaocheng Zhou, Jingchao Li, Jiao Tian, Zhaojun Zeng, Yuwen Wang, Bingyu Yao, Gaoyuan Xing, Jinyuan Dong, Miao He, Han Yan, Ruibin Li, Wan Zheng, Kayimu Saimaiernaji, Chengguo Wang, Wei Yan and Rong Ma
Water 2025, 17(22), 3241; https://doi.org/10.3390/w17223241 - 13 Nov 2025
Viewed by 835
Abstract
The Muji Fault Zone (MJF) in the northeastern Pamir Plateau hosts a well-developed non-volcanic geothermal system, characterized by widespread hot springs and mud volcanoes—where core processes of geothermal fluids, including atmospheric precipitation recharge, shallow crustal circulation, carbonate-driven water–rock interactions, and CO2-rich [...] Read more.
The Muji Fault Zone (MJF) in the northeastern Pamir Plateau hosts a well-developed non-volcanic geothermal system, characterized by widespread hot springs and mud volcanoes—where core processes of geothermal fluids, including atmospheric precipitation recharge, shallow crustal circulation, carbonate-driven water–rock interactions, and CO2-rich fluid discharge, are tightly coupled with regional intense crustal deformation and frequent seismic activity. We collected and analyzed 22 geothermal water samples and 8 bubbling gas samples from the MJF periphery, finding that the geothermal waters are predominantly of the HCO3-Ca·Mg hydrochemical type, with hydrogen (δD: −103.82‰ to −70.21‰) and oxygen (δ18O: −14.89‰ to −10.10‰) isotopes indicating atmospheric precipitation as the main recharge source. The Na-K-Mg ternary diagram classified the waters as immature, reflecting low-temperature water–rock interactions in the shallow crust (<3 km), while noble gas isotopes (3He/4He: 0.03–0.09 Ra, Ra = 1.43 × 10−6) and carbon isotopes (δ13C-CO2) confirmed fluid origin from crustal carbonate dissolution; SiO2 geothermometry estimated thermal reservoir temperatures at 67–155 °C. Long-term monitoring (May 2019–April 2024) of Tahman (THM) and Bulake (BLK) springs revealed significant pre-seismic anomalies: before the 2023 Tajikistan Ms7.2 and 2024 Wushi Ms7.1 earthquakes, Na+, Cl, and SO42− concentrations showed notable negative anomalies (exceeding 2σ of background values) with synchronous trends between the two springs. Integrating these findings, a “Fault-Spring-Mud Volcano-Earthquake” fluid response model was established, providing direct evidence of deep-shallow fluid coupling in mud volcano–geothermal fluid interactions. This study enhances understanding of the dynamic evolution of non-volcanic geothermal systems under tectonic stress and clarifies the mechanisms of hydrogeochemical variations in fault-controlled geothermal systems, offering a robust scientific basis for advancing research on tectonic–fluid interactions in active fault zones of the northeastern Pamir Plateau. Full article
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18 pages, 3007 KB  
Article
Characteristics of CO2–Formation Water–Rock Reaction and Simulation of CO2 Burial Efficiency in Tight Sandstone Reservoirs
by Junhong Jia, Wei Fan, Yao Lu and Ming Qu
Processes 2025, 13(11), 3644; https://doi.org/10.3390/pr13113644 - 11 Nov 2025
Viewed by 523
Abstract
To clarify the characteristics of CO2–formation water–rock reactions in tight sandstones and their effects on CO2-enhanced oil recovery (EOR) efficiency and storage efficiency, this study takes the tight oil reservoirs of the Changqing Jiyuan Oilfield as the research object. [...] Read more.
To clarify the characteristics of CO2–formation water–rock reactions in tight sandstones and their effects on CO2-enhanced oil recovery (EOR) efficiency and storage efficiency, this study takes the tight oil reservoirs of the Changqing Jiyuan Oilfield as the research object. A variety of experimental techniques, including ICP-OES elemental analysis, powder X-ray diffraction, and scanning electron microscopy, were employed to systematically investigate the mechanisms and main influencing factors of water–rock reactions during CO2 geological storage. The study focused on analyzing the roles of mineral composition, reservoir pore structure, and formation water chemistry in the reaction process. It explored the potential impacts of reaction products on reservoir properties. Furthermore, based on the experimental results, a coupled reservoir numerical simulation of CO2 injection for EOR and storage was conducted to comprehensively evaluate the influence of mineralization processes on CO2 EOR performance and long-term storage efficiency. Results show that the tight sandstone reservoirs in Jiyuan Oilfield are mainly composed of calcite, quartz, and feldspar. The dominant water–rock reactions during CO2 formation–water interactions are calcite dissolution and feldspar dissolution. Among these, calcite dissolution is considered the controlling reaction due to its significant effect on the chemical composition of formation water, and the temporal variation in other elements shows a clear correlation with the calcite dissolution process. Further analysis reveals that water–rock reactions lead to permeability reduction in natural fractures near injection wells, thereby effectively improving CO2 EOR efficiency, enhancing sweep volume, and increasing reservoir recovery. At the end of the EOR stage, mineralized CO2 storage accounts for only 0.53% of the total stored CO2. However, with the extension of time, mineralized storage gradually increases, reaching a substantial 31.08% after 500 years. The study also reveals the effects of reservoir temperature, pressure, and formation water salinity on mineralization rates, emphasizing the importance of mineral trapping for long-term CO2 storage. These findings provide a theoretical basis and practical guidance for the joint optimization of CO2 EOR and geological sequestration. Future research may further focus on the dynamic evolution of water–rock reactions under different geological conditions to enhance the applicability and economic viability of CO2 storage technologies. Full article
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17 pages, 3708 KB  
Article
Numerical Study of SC-CO2 Jet-Induced Rock Fracturing Using SPH-FEM and the RHT Model: Parameter Effects and Damage Evolution
by Yun Lin, Tianxing Ma, Chong Li, Liangxu Shen, Xionghuan Tan, Kun Luo and Kang Peng
Appl. Sci. 2025, 15(21), 11357; https://doi.org/10.3390/app152111357 - 23 Oct 2025
Viewed by 592
Abstract
Supercritical carbon dioxide (SC-CO2) jetting has emerged as a promising technique for rock fracturing due to its superior physical properties such as low viscosity, high diffusivity, and zero surface tension. However, the complex interaction mechanisms between SC-CO2 jets and heterogeneous [...] Read more.
Supercritical carbon dioxide (SC-CO2) jetting has emerged as a promising technique for rock fracturing due to its superior physical properties such as low viscosity, high diffusivity, and zero surface tension. However, the complex interaction mechanisms between SC-CO2 jets and heterogeneous rock media remain inadequately understood. In this study, a coupled Smooth Particle Hydrodynamics–Finite Element Method (SPH-FEM) framework is established to simulate the dynamic fracturing process of rocks under SC-CO2 jet impact. The Riedel–Hiermaier–Thoma (RHT) constitutive model is incorporated to describe the nonlinear damage evolution of brittle rocks, and key material parameters are calibrated via sensitivity analysis and SHPB experimental validation. A series of numerical simulations are performed to investigate the effects of jet standoff distance, jet velocity, and rock lithology (marble, granite, red sandstone) on fracturing efficiency. Damage area, damage volume, and a novel metric—block size distribution—are employed to quantify the fracturing quality from both macro and meso scales. The results indicate that SC-CO2 jets outperform conventional water jets in creating more extensive and homogeneous fracture networks. An optimal standoff distance of 1–2 cm and a velocity threshold of 0.2 cm/μs are identified for maximum fracturing efficiency in marble. Furthermore, smaller block sizes are achieved under higher velocities, indicating a more complete and efficient rock fragmentation process. This study provides a comprehensive numerical insight into SC-CO2 jet-induced rock failure and offers theoretical guidance for optimizing green and water-free rock fracturing techniques in complex geological environments. Full article
(This article belongs to the Special Issue Advanced Technology in Geotechnical Engineering)
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28 pages, 3042 KB  
Review
Experimental and Molecular Dynamics Simulation of Interfacial Tension Measurements in CO2–Brine/Oil Systems: A Literature Review
by Nadieh Salehi, Mohammad Kazemi, Mohammad Amin Esmaeilbeig, Abbas Helalizadeh and Mehdi Bahari Moghaddam
Gases 2025, 5(4), 23; https://doi.org/10.3390/gases5040023 - 16 Oct 2025
Cited by 1 | Viewed by 2404
Abstract
Carbon dioxide (CO2), a major greenhouse gas, contributes significantly to global warming and environmental degradation. Carbon Capture, Utilization, and Storage (CCUS) is a promising strategy to mitigate atmospheric CO2 levels. One widely applied utilization approach involves injecting captured CO2 [...] Read more.
Carbon dioxide (CO2), a major greenhouse gas, contributes significantly to global warming and environmental degradation. Carbon Capture, Utilization, and Storage (CCUS) is a promising strategy to mitigate atmospheric CO2 levels. One widely applied utilization approach involves injecting captured CO2 into depleted oil reservoirs to enhance oil recovery—a technique known as CO2-Enhanced Oil Recovery (CO2-EOR). The effectiveness of CO2-EOR largely depends on complex rock–fluid interactions, including mass transfer, wettability alteration, capillary pressure, and interfacial tension (IFT). Various factors, such as the presence of asphaltenes, salinity, pressure, temperature, and rock type, influence these interactions. This review explores the impact of these parameters on the IFT between CO2 and oil/water systems, drawing on findings from both experimental studies and molecular dynamics (MD) simulations. The literature indicates that increased temperature, reduced pressure, lower salinity, and the presence of asphaltenes tend to reduce IFT at the oil–water interface. Similarly, elevated temperature and pressure, along with asphaltene content, also lower the surface tension between CO2 and oil. Most MD simulations employ synthetic oil mixtures of various alkanes and use tools such as LAMMPS and GROMACS. Experimentally, the pendant drop method is most commonly used with crude oil and brine samples. Future research employing actual reservoir fluids and alternative measurement techniques may yield more accurate and representative IFT data, further advancing the application of CO2-EOR. Full article
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22 pages, 12373 KB  
Article
Groundwater Quality and Health Risk Assessment in Trenggalek Karst Springs and Underground Rivers as a Drinking Water Source
by Aminuddin, Nendaryono Madiutomo, Zulfahmi, Tedy Agung Cahyadi, Ilham Firmansyah, Rizka Maria, Heri Nurohman and Nopri Dwi Siswanto
Geosciences 2025, 15(10), 381; https://doi.org/10.3390/geosciences15100381 - 2 Oct 2025
Viewed by 1117
Abstract
The karst landscape of Trenggalek Regency, located in several sub-districts including Dongko, Kampak, and Watulimo, is shaped by the Wonosari Formation and is characterized by springs and underground rivers. Due to water scarcity in the region, local communities heavily depend on these natural [...] Read more.
The karst landscape of Trenggalek Regency, located in several sub-districts including Dongko, Kampak, and Watulimo, is shaped by the Wonosari Formation and is characterized by springs and underground rivers. Due to water scarcity in the region, local communities heavily depend on these natural water sources. This study assesses the groundwater quality of 16 springs and 20 underground rivers to evaluate their suitability for consumption and associated health risks. Using the groundwater quality index (GWQI), human health risk assessment (HHRA), and statistical methods, various physicochemical parameters were analyzed, including pH, total dissolved solids (TDS), electrical conductivity (EC), and concentrations of iron (Fe2+), manganese (Mn2+), calcium carbonate (CaCO3), and sulfate (SO4). Water generally meets the World Health Organization standards for safe drinking. However, correlation analysis reveals notable mineral dissolution and possible anthropogenic influence. TDS strongly correlates with EC (r = 0.97), while Fe2+ shows significant relationships with Mn and TDS. Conversely, CaCO3 shows a negative correlation with EC and TDS, suggesting alternative sources beyond rock weathering. The HHRA indicates higher non-carcinogenic health risks from Fe2+ contamination in underground rivers compared to springs. The study’s novelty comes in its integrated assessment of groundwater quality and health hazards in Trenggalek’s karst region, which uses GWQI, HHRA, and statistical analysis to show geochemical interactions and highlight iron-related health issues in underground rivers. Full article
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30 pages, 10855 KB  
Article
Hydrochemical Characteristics and Evolution Mechanisms of Shallow Groundwater in the Alluvial–Coastal Transition Zone of the Tangshan Plain, China
by Shiyin Wen, Shuang Liang, Guoxing Pang, Qiang Shan, Yingying Ye, Jianan Zhang, Mingqi Dong, Linping Fu and Meng Wen
Water 2025, 17(19), 2810; https://doi.org/10.3390/w17192810 - 24 Sep 2025
Cited by 1 | Viewed by 873
Abstract
To elucidate the hydrochemical characteristics and evolution mechanisms of shallow groundwater in the alluvial–coastal transitional zone of the Tangshan Plain, 76 groundwater samples were collected in July 2022. An integrated approach combining Piper and Gibbs diagrams, ionic ratio analysis, multivariate statistical methods (including [...] Read more.
To elucidate the hydrochemical characteristics and evolution mechanisms of shallow groundwater in the alluvial–coastal transitional zone of the Tangshan Plain, 76 groundwater samples were collected in July 2022. An integrated approach combining Piper and Gibbs diagrams, ionic ratio analysis, multivariate statistical methods (including Pearson correlation, hierarchical cluster analysis, and principal component analysis), and PHREEQC inverse modeling was employed to identify hydrochemical facies, dominant controlling factors, and geochemical reaction pathways. Results show that groundwater in the upstream alluvial plain is predominantly of the HCO3–Ca type with low mineralization, primarily controlled by carbonate weathering, water–rock interaction, and natural recharge. In contrast, groundwater in the downstream coastal plain is characterized by high-mineralized Cl–Na type water, mainly influenced by seawater intrusion, evaporation concentration, and dissolution of evaporite minerals. The spatial distribution of groundwater follows a pattern of “freshwater in the north and inland, saline water in the south and coastal,” reflecting the transitional nature from freshwater to saline water. Ionic ratio analysis reveals a concurrent increase in Na+, Cl, and SO42− in the coastal zone, indicating coupled processes of saline water mixing and cation exchange. Statistical analysis identifies mineralization processes, carbonate weathering, redox conditions, and anthropogenic inputs as the main controlling factors. PHREEQC simulations demonstrate that groundwater in the alluvial zone evolves along the flow path through CO2 degassing, dolomite precipitation, and sulfate mineral dissolution, whereas in the coastal zone, continuous dissolution of halite and gypsum leads to the formation of high-mineralized Na–Cl water. This study establishes a geochemical evolution framework from recharge to discharge zones in a typical alluvial–coastal transitional setting, providing theoretical guidance for salinization boundary identification and groundwater management. Full article
(This article belongs to the Section Hydrogeology)
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19 pages, 3668 KB  
Article
Coupled Evolution of Clay Minerals and Organic Matter During Diagenesis: Mechanisms of Smectite Illitization in Organic-Rich Shale
by Kun Ling, Ziyi Wang, Changhu Zhang and Lin Dong
Processes 2025, 13(9), 2966; https://doi.org/10.3390/pr13092966 - 17 Sep 2025
Cited by 2 | Viewed by 1135
Abstract
The transformation of smectite to illite documents multi-scale water–rock–hydrocarbon interaction dynamics. Current studies predominantly emphasize the influence of inorganic systems on this process, while overlooking the dynamic regulation by organic matter and the synergistic effects of multiple controlling factors under actual geological conditions. [...] Read more.
The transformation of smectite to illite documents multi-scale water–rock–hydrocarbon interaction dynamics. Current studies predominantly emphasize the influence of inorganic systems on this process, while overlooking the dynamic regulation by organic matter and the synergistic effects of multiple controlling factors under actual geological conditions. In this study, we conducted integrated semi-open pyrolysis experiments on natural samples from the Chang-7 Member and hydrothermal experiments using synthetic analogs. The illitization process of smectite was characterized through XRD analysis and SEM observations, while organic geochemical testing was employed to track the corresponding thermal evolution of organic matter. The semi-open pyrolysis results reveal that significant changes in illite–smectite (I/S) mixed layer minerals and illite content/morphology occur above 320 °C, which coincides with the critical threshold for extensive organic matter evolution. Thermal degradation of organic matter generates pore space, thereby enhancing water–rock interactions involving clay minerals. This demonstrates the co-evolution of organic matter and smectite, and indicates that temperature indirectly influences illitization by regulating organic matter thermal evolution. The hydrothermal simulation experiments demonstrate the early-stage characteristics of illitization. Unlike long-term geological evolution, K+ under experimental conditions primarily originates from the aqueous medium due to kinetic constraints on feldspar dissolution. Notably, organic matter regulates K+ partitioning dynamics—increased organic matter content hinders K+ incorporation into smectite interlayers, thereby suppressing the illitization process. Cross-system experimental analysis reveals that organic matter exhibits temporally dependent dual functionality, serving both mediating and modulating roles within inorganic diagenetic systems. This study delineates diagnostic-stage-dependent mechanisms governing smectite illitization through multifactorial synergistic interplay, establishing a predictive framework applicable to organic-rich systems exemplified by the Chang-7 Shale. Full article
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30 pages, 11585 KB  
Article
Multifractal Characterization of Marine Shale Pore Structure Alteration Induced by Supercritical CO2–Water–Rock Interaction
by Haonan Wei, Yi Du, Changqing Fu, Gaoqiang Fu, Yingfang Zhou, Jinfeng Ma, Zhenliang Wang, Zhejun Pan and Wei Gao
Fractal Fract. 2025, 9(9), 582; https://doi.org/10.3390/fractalfract9090582 - 2 Sep 2025
Viewed by 1102
Abstract
Supercritical CO2 (ScCO2) injection has emerged as a promising method to enhance shale gas recovery while simultaneously achieving CO2 sequestration. This research investigates how ScCO2 interacts with water and shale rock, altering the pore structure characteristics of shale [...] Read more.
Supercritical CO2 (ScCO2) injection has emerged as a promising method to enhance shale gas recovery while simultaneously achieving CO2 sequestration. This research investigates how ScCO2 interacts with water and shale rock, altering the pore structure characteristics of shale reservoirs. The study examines shale samples from three marine shale formations in southern China under varying thermal and pressure regimes simulating burial conditions at 1000 m (45 °C and 10 MPa) and 2000 m (80 °C and 20 MPa). The research employs multiple analytical techniques including XRD for mineral composition analysis, MICP, N2GA, and CO2GA for comprehensive pore characterization, FE–SEM for visual observation of mineral and pore changes, and multifractal theory to analyze pore structure heterogeneity and connectivity. Key findings indicate that ScCO2–water–shale interactions lead to dissolution of minerals such as kaolinite, calcite, dolomite, and chlorite, and as the reaction proceeds, substantial secondary mineral precipitation occurs, with these changes being more pronounced under 2000 m simulation conditions. Mineral dissolution and precipitation cause changes in pore structure parameters of different pore sizes, with macropores showing increased PV and decreased SSA, mesopores showing decreased PV and SSA, and micropores showing insignificant changes. Moreover, mineral precipitation effects are stronger than dissolution effects. These changes in pore structure parameters lead to alterations in multifractal parameters, with mineral precipitation reducing pore connectivity and consequently enhancing pore heterogeneity. Correlation analysis further revealed that H and D−10D10 exhibit a significant negative correlation, confirming that reduced connectivity corresponds to stronger heterogeneity, while mineral composition strongly controls the multifractal responses of macropores and mesopores, with micropores mainly undergoing morphological changes. However, these changes in micropores are mainly manifested as modifications of internal space. Siliceous shale samples exhibit stronger structural stability compared to argillaceous shale, which is attributed to the mechanical strength of the quartz framework. By integrating multifractal theory with multi–scale pore characterization, this study achieves a unified quantification of shale pore heterogeneity and connectivity under ScCO2–water interactions at reservoir–representative pressure–temperature conditions. This novelty not only advances the methodological framework but also provides critical support for understanding CO2–enhanced shale gas recovery mechanisms and CO2 geological sequestration in depleted shale gas reservoirs, highlighting the complex coupling between geochemical reactions and pore structure evolution. Full article
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22 pages, 5306 KB  
Article
Geochemical Signatures and Element Interactions of Volcanic-Hosted Agates: Insights from Interpretable Machine Learning
by Peng Zhang, Xi Xi and Bo-Chao Wang
Minerals 2025, 15(9), 923; https://doi.org/10.3390/min15090923 - 29 Aug 2025
Viewed by 844
Abstract
To unravel the link between agate geochemistry, host volcanic rocks, and ore-forming processes, this study integrated elemental correlation analysis, interaction interpretation, and interpretable machine learning (LightGBM-SHAP framework with SMOTE and 5-fold cross-validation) using 203 in-situ element datasets from 16 global deposits. The framework [...] Read more.
To unravel the link between agate geochemistry, host volcanic rocks, and ore-forming processes, this study integrated elemental correlation analysis, interaction interpretation, and interpretable machine learning (LightGBM-SHAP framework with SMOTE and 5-fold cross-validation) using 203 in-situ element datasets from 16 global deposits. The framework achieved 99.01% test accuracy and 97.4% independent prediction accuracy in discriminating host volcanic rock types. Key findings reveal divergence between statistical elemental correlations and geological interactions. Synergies reflect co-migration/co-precipitation, while antagonisms stem from source competition or precipitation inhibition, unraveling processes like stepwise crystallization. Rhyolite-hosted agates form via a “crust-derived magmatic hydrothermal fluid—medium-low salinity complexation—multi-stage precipitation” model, driven by high-silica fluids enriching Sb/Zn. Andesite-hosted agates follow a “contaminated fluid—hydrothermal alteration—precipitation window differentiation” model, controlled by crustal contamination. Basalt-hosted agates form through a “low-temperature hydrothermal fluid—basic alteration—progressive mineral decomposition” model, with meteoric water regulating Na-Zn relationships. Zn acts as a cross-lithology indicator, tracing crust-derived fluid processes in rhyolites, feldspar alteration intensity in andesites, and alteration timing in basalts. This work advances volcanic-agate genetic studies via “correlation—interaction—mineralization model” coupling, with future directions focusing on large-scale micro-area elemental analysis. Full article
(This article belongs to the Section Mineral Geochemistry and Geochronology)
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40 pages, 855 KB  
Article
Integrated Equilibrium-Transport Modeling for Optimizing Carbonated Low-Salinity Waterflooding in Carbonate Reservoirs
by Amaury C. Alvarez, Johannes Bruining and Dan Marchesin
Energies 2025, 18(17), 4525; https://doi.org/10.3390/en18174525 - 26 Aug 2025
Viewed by 734
Abstract
Low-salinity waterflooding (LSWF) enhances oil recovery at low cost in carbonate reservoirs, but its effectiveness requires the precise control of injected water chemistry and interaction with reservoir minerals. This study specifically investigates carbonated low-salinity waterflooding (CLSWF), where dissolved CO2 modulates geochemical processes. [...] Read more.
Low-salinity waterflooding (LSWF) enhances oil recovery at low cost in carbonate reservoirs, but its effectiveness requires the precise control of injected water chemistry and interaction with reservoir minerals. This study specifically investigates carbonated low-salinity waterflooding (CLSWF), where dissolved CO2 modulates geochemical processes. This study develops an integrated transport model coupling geochemical surface complexation modeling (SCM) with multiphase compositional dynamics to quantify wettability alteration during CLSWF. The framework combines PHREEQC-based equilibrium calculations of the Total Bond Product (TBP)—a wettability indicator derived from oil–calcite ionic bridging—with Corey-type relative permeability interpolation, resolved via COMSOL Multiphysics. Core flooding simulations, compared with experimental data from calcite systems at 100 C and 220 bar, reveal that magnesium ([Mg2+]) and sulfate ([SO42]) concentrations modulate the TBP, reducing oil–rock adhesion under controlled low-salinity conditions. Parametric analysis demonstrates that acidic crude oils (TAN higher than 1 mg KOH/g) exhibit TBP values approximately 2.5 times higher than those of sweet crudes, due to carboxylate–calcite bridging, while pH elevation (higher than 7.5) amplifies wettability shifts by promoting deprotonated -COO interactions. The model further identifies synergistic effects between ([Mg2+]) (ranging from 50 to 200 mmol/kgw) and ([SO42]) (higher than 500 mmol/kgw), which reduce (Ca2+)-mediated oil adhesion through competitive mineral surface binding. By correlating TBP with fractional flow dynamics, this framework could support the optimization of injection strategies in carbonate reservoirs, suggesting that ion-specific adjustments are more effective than bulk salinity reduction. Full article
(This article belongs to the Special Issue Enhanced Oil Recovery: Numerical Simulation and Deep Machine Learning)
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20 pages, 9096 KB  
Article
Microscopic Mechanism Study on Gas–Crude-Oil Interactions During the CO2 Flooding Process in Water-Bearing Reservoirs
by Wei Xia, Yu-Bo Wang, Jiang-Tao Wu, Tao Zhang, Liang Gong and Chuan-Yong Zhu
Int. J. Mol. Sci. 2025, 26(13), 6402; https://doi.org/10.3390/ijms26136402 - 3 Jul 2025
Cited by 1 | Viewed by 821
Abstract
The impact of water on CO2 sequestration and enhanced oil recovery processes is significant. In this study, a CO2–water-film–crude-oil–rock molecular system was established. Then, the influence of water-film thickness on the dissolution and dispersion of CO2 and crude oil [...] Read more.
The impact of water on CO2 sequestration and enhanced oil recovery processes is significant. In this study, a CO2–water-film–crude-oil–rock molecular system was established. Then, the influence of water-film thickness on the dissolution and dispersion of CO2 and crude oil under different temperature and pressure scenarios was examined through molecular dynamics simulations. The results indicate that water films hinder CO2 diffusion into the oil, reducing its ability to lower oil density. When the thickness of the water film increases from 0 nm to 3 nm, the oil density increases by 86.9%, and the average diffusion coefficient of oil decreases by 72.30%. Increasing the temperature enhances CO2–oil interactions, promoting CO2 and water diffusion into oil, thereby reducing oil density. Under conditions of a 2 nm water film and 10 MPa pressure, increasing the temperature from 100 °C to 300 °C results in a decrease of approximately 32.1% in the oil density. Pressure also promotes oil and water-film density reduction, but its effect is less significant compared to temperature. These results elucidate the function of the water film in CO2-EOR processes and its impact on CO2 dissolution and diffusion in water-bearing reservoirs. Full article
(This article belongs to the Section Biochemistry)
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32 pages, 7693 KB  
Article
Genesis and Evolution of the Qieliekeqi Siderite Deposit in the West Kunlun Orogen: Constraints from Geochemistry, Zircon U–Pb Geochronology, and Carbon–Oxygen Isotopes
by Yue Song, Liang Li, Yuan Gao and Yang Luo
Minerals 2025, 15(7), 699; https://doi.org/10.3390/min15070699 - 30 Jun 2025
Viewed by 931
Abstract
The Qieliekeqi siderite deposit, located in the Tashkurgan block of western Kunlun, is a carbonate-hosted iron deposit with hydrothermal sedimentary features. This study integrates whole-rock geochemistry, stable isotopes, and zircon U–Pb–Hf data to investigate its metallogenic evolution. Coarse-grained siderite samples, formed in deeper [...] Read more.
The Qieliekeqi siderite deposit, located in the Tashkurgan block of western Kunlun, is a carbonate-hosted iron deposit with hydrothermal sedimentary features. This study integrates whole-rock geochemistry, stable isotopes, and zircon U–Pb–Hf data to investigate its metallogenic evolution. Coarse-grained siderite samples, formed in deeper water, exhibit average Al2O3/TiO2 ratios of 29.14, δEu of 2.69, and δCe of 0.83, indicating hydrothermal fluid dominance with limited seawater mixing. Banded samples from shallower settings show an average Al2O3/TiO2 of 17.07, δEu of 3.18, and δCe of 0.94, suggesting stronger seawater interaction under oxidizing conditions. Both types are enriched in Mn, Co, and Ba, with low Ti and Al contents. Stable isotope results (δ13CPDB = −6.0‰ to −4.6‰; δ18OSMOW = 16.0‰ to 16.9‰) point to seawater-dominated fluids with minor magmatic and meteoric contributions, formed under open-system conditions at avg. temperatures of 53 to 58 °C. Zircon U–Pb dating yields an age of 211.01 ± 0.82 Ma, with an average εHf(t) of −3.94, indicating derivation from the partially melted ancient crust. These results support a two-stage model involving Late Cambrian hydrothermal sedimentation and Late Triassic magmatic overprinting. Full article
(This article belongs to the Special Issue Selected Papers from the 7th National Youth Geological Congress)
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