Search Results (112)

Underground production and injection operations result in mechanical compaction and mineral chemical reactions that alter porosity and permeability. These changes impact the flow and, eventually, the long-term sustainability of reservoirs utilized for CO₂ sequestration and geothermal energy. Even though mechanical and chemical deformations in rocks take place at the pore scale, it is important to investigate their impact at the continuum scale. Rock deformation can be examined using intergranular pressure solution (IPS) models, primarily for uniaxial compaction. Because the reaction rate parameters are estimated using empirical methods and the assumption of constant mineral saturation indices, these models frequently overestimate the rates of compaction and strain by several orders of magnitude. This study presents a new THMC algorithm by combining thermo-mechanical computation with a fractal approach and hydrochemical computations using PHREEQC to evaluate the pressure solution. Thermal stress and strain under axisymmetric conditions are calculated analytically by combining a derived hollow circle mechanical structure with a thermal resistance model. Based on the pore scale, porosity and its impact on the overall excessive stress and strain rate in a domain are estimated by applying the fractal scaling law. Relevant datasets from CO₂ core flooding experiments are used to validate the proposed approach. The comparison is consistent with experimental findings, and the novel analytical method allows for faster inspection compared to numerical simulations. Full article

This study systematically unravels the hydrochemical evolution mechanisms and driving forces in multi-aquifer systems of Qingdao, a coastal economic hub. Integrated hydrochemical analysis of porous, fissured, and karst water, combined with PHREEQC modeling and Positive Matrix Factorization (PMF), deciphers water–rock interactions and anthropogenic perturbations. Groundwater exhibits weak alkalinity (pH 7.2–8.4), with porous aquifers showing markedly higher TDS (161.1–8203.5 mg/L) than fissured (147.7–1224.8 mg/L) and karst systems (361.1–4551.5 mg/L). Spatial heterogeneity reveals progressive hydrochemical transitions (HCO₃-Ca → SO₄-Ca·Mg → Cl-Na) in porous aquifers across the Dagu River Basin. While carbonate (calcite) and silicate weathering govern natural hydrochemistry, evaporite dissolution and seawater intrusion drive severe groundwater salinization in the western Pingdu City and the Dagu River Estuary (localized TDS up to 8203.5 mg/L). PMF source apportionment identifies acid deposition-enhanced dissolution of carbonate/silicate minerals, with nitrate contamination predominantly sourced from agricultural runoff and domestic sewage. Landfill leachate exerts pronounced impacts in Laixi and adjacent regions. This study offering actionable strategies for salinity mitigation and contaminant source regulation, thereby providing a scientific framework for sustainable groundwater management in rapidly urbanizing coastal zones. Full article

The use of recycled glass powder (RCGP) is investigated as a partial replacement for ground granulated blast furnace slag in blended CEM II/A-LL cements using thermodynamic modelling to simulate cement paste hydration at a water-to-cement (w/c) ratio of 0.5. This study allows a rapid means of examining the likely evolution of these materials over the first two to three years, allowing experimental work to focus on promising formulations. A comparison is made between the evolving solid phase and solution chemistries of four materials: a standard Portland-limestone (CEM II/A-LL), a ‘control’ blend, comprising equal quantities of CEM II/A-LL with GGBS and two novel blended cements containing RCGP. These represent 15% replacement (by mass) of GGBS by RCGP blended with either 40% or 60% CEM II/A-LL. The simulations were performed using the code HYDCEM, a cement hydration simulator, which calls on the thermodynamic model PHREEQC to sequentially simulate the evolution of the four cements. The results suggest that partial replacement of GGBS by 15% RCGP results in no significant change in system chemistry. The partial replacement of cementitious slag by waste container glass provides a route by which this material can be diverted from the landfill inventory, and the mass-balance and energy balance implications will be reported elsewhere. Full article

A thorough understanding of the chemistry involved in reinjecting heat-depleted geothermal water into poorly consolidated sandstone is vital for the effective design of treatments targeting subsurface rock formations. The intricate chemical interactions occurring within sandstone systems can result in the dissolution of certain minerals and the subsequent precipitation of others, which may significantly contribute to damage within the formation. This process can alter the physical properties of the rock, potentially leading to reduced permeability and other challenges in resource extraction. Thus, it is imperative to monitor not only the concentration of various chemical species present in the geothermal water and sandstone, but also the spatial distribution of these geochemical reactions. By doing so, we can better predict and mitigate their potential adverse effects on rock formations, ensuring the long-term success and efficiency of geothermal energy extraction and other subsurface activities. In this study, we conducted laboratory experiments using both model and natural formation waters, as well as rock samples, to investigate water–rock interactions in a sandstone reservoir in the Szentes area of Hungary. Geochemical models were run with two different thermodynamic databases to simulate laboratory experiments, predict the effects of heat-depleted geothermal water reinjection into the reservoir, and assess predictions of different geochemical databases. Our study shows that calcite dissolves while quartz, kaolinite, and dolomite form. Other mineral reactions, however, remain less certain. The PHREEQC database indicates chlorite dissolution along with the formation of small amounts of feldspars and hematite, whereas the Thermoddem database predicts montmorillonite dissolution and chlorite precipitation. The reservoir porosity and permeability are expected to change over time as a result of mineral reactions. Modeling results, however, indicate negligible porosity changes as the reservoir reaches equilibrium state. The general concept proposed here, which focuses on the geochemical properties of the reinjected water and reservoir, provides a framework for detailed analysis of the geothermal system—a critical step for ensuring sustainable geothermal operations. Full article

Ensuring long-term wellbore integrity is critical for CO₂ injection and storage operations. Conventional cement degrades in CO₂-rich environments, compromising zonal isolation and increasing leakage risks. This study presents a novel self-healing cement formulation incorporating Barite, Pozzolan, and Chalcedony, optimized using a Design of Experiment (DOE) approach. Geochemical simulations were conducted using PHREEQC and Python to evaluate porosity evolution, mineral stability, and self-sealing efficiency under CO₂ exposure. The results demonstrate that the optimized formulations significantly reduce porosity (within 7–14 days) through the formation of calcium silicate hydrate (C-S-H) gels, enhancing crack sealing and mechanical resilience. Saturation index and phase volume analyses confirm the long-term stability of ECSH2 and Calcite, reinforcing the cement matrix. Compared to conventional cement, the self-healing formulations exhibit improved durability, lower permeability, and superior resistance to CO₂-induced degradation. These findings support the use of self-healing cement in carbon capture and storage (CCS), geothermal energy, and deep-well applications, offering a cost-effective and durable solution for long-term wellbore integrity. However, further experimental validation and field-scale evaluation are needed to confirm the practical performance of these formulations under real-world reservoir conditions. Full article

Leaching from cement can lead to a loss in performance and durability and can also have an environmental impact. Therefore, it is an important aspect to consider when new cements are being developed and where concrete is to be placed that could lead to the contamination of groundwater. Calibrated thermodynamic models can provide very useful predictions in a matter of seconds for any cement-based material. However, such models need to include accurate representations of the solid-solution nature of the C-S-H gels that are included for the incongruent dissolution of calcium and silica. This study presents the calibration of a thermodynamic model employing the pH-REdox-Equilibrium geochemical software 3.8.7, written in C (PHREEQC 3.8.7), to model the change in the pH and the leaching of calcium (Ca) and silica (Si) from cement against the Ca/Si ratio and over time. The predicted concentrations of Ca and Si and the pH in the leachate were calculated using three solid-solution C-S-H gel models that were taken from the cemdata18 database, namely, CSHQ, CSH3T, and tobermorite–jennite, which have not been analysed before and show good agreement. The calibrated model was used to predict leaching from a CEM II/A-L cement and a blended CEM I + fly-ash with a cement replacement level of 35%. The effect of a sulphate environment (Na₂SO₄) was also analysed. Full article

Groundwater plays a leading role in ecological environment protection in semi-arid regions. The Huangshui River Basin is located in the Tibetan Plateau and Loess Plateau transition zone of semi-arid areas. Its ecological environment is relatively fragile, and there is an urgent need for systematic study of the basin to develop a groundwater environment and realize the rational and efficient development of water resources. In this study, methodologically, we combined the following: 1. Field sampling (271 groundwater samples across the basin’s hydrogeological units); 2. Comprehensive laboratory analysis of major ions and physicochemical parameters; 3. Multivariate statistical analysis (Pearson correlation, descriptive statistics); 4. Geospatial techniques (ArcGIS kriging interpolation); 5. Hydrochemical modeling (Piper diagrams, Gibbs plots, PHREEQC simulations). Key findings reveal the following: 1. Groundwater is generally weakly alkaline (pH 6.94–8.91) with TDS ranging 155–10,387 mg/L; 2. Clear spatial trends: TDS and major ions (Na⁺, Ca²⁺, Mg²⁺, Cl⁻, SO₄²⁻) increase along flow paths; 3. Water types evolve from Ca-HCO₃-dominant (upper reaches) to complex Ca-SO₄/Ca-Cl mixtures (lower reaches); 4. Water–rock interactions dominate hydrochemical evolution, with secondary cation exchange effects; 5. PHREEQC modeling identifies dominant carbonate dissolution (mean SIcalcite = −0.32) with localized evaporite influences (SIgypsum up to 0.12). By combining theoretical calculations and experimental results, this study reveals distinct hydrochemical patterns and evolution mechanisms. The groundwater transitions from Ca-HCO₃-type in upstream areas to complex Ca-SO₄/Cl mixtures downstream, driven primarily by dissolution of gypsum and carbonate minerals. Total dissolved solids increase dramatically along flow paths (155–10,387 mg/L), with Na⁺ and SO₄²⁻ showing the strongest correlation to mineralization (r > 0.9). Cation exchange processes and anthropogenic inputs further modify water chemistry in midstream regions. These findings establish a baseline for sustainable groundwater management in this ecologically vulnerable basin. Full article

Many countries employ mining and ore processing techniques to concentrate and extract precious natural resources. However, the slow leaching of numerous dissolved elements and compounds from large quantities of waste rock and mine tailings can significantly threaten groundwater quality in the affected region. When exposed to oxygen and water, sulfide minerals in mine tailing oxidize, potentially forming acid mine drainage (AMD). Various reclamation techniques can inhibit AMD generation, including monolayer cover combined with an elevated water table (EWT), hydraulic barrier, and cover with capillary barrier effect (CCBE). Selecting the most suitable technique requires consideration of site-specific hydrogeological conditions (e.g., water table depth) and available cover materials. Numerical modeling tools such as PHT3D and MT3D can help identify optimal reclamation methods during preliminary planning stages. The 119-hectare Quémont 2 mine site near Rouyn-Noranda city will undergo reclamation following the closure of its tailings storage facilities (TSF). A three-dimensional numerical groundwater and solute-transport model were constructed and calibrated to simulate the site’s hydrogeological behavior post-closure, enabling selection of the most effective AMD control technique. Subsequently, a three-dimensional multicomponent reactive transport model incorporating various cover designs was developed, with simulations considering climate change impacts. The PHT3D model code, which integrates the PHREEQC geochemical model with the MT3D three-dimensional transport simulator, was employed to evaluate cover performance on the Quémont 2 TSF. Four reclamation configurations were tested: Cell #1 (80 cm single-layer clay cover), Cell #2 (60 cm single-layer clay-sand cover), Cell #3 (60 cm single-layer clay-silt cover), and Cell #4 (120 cm multilayer clay-sand-clay sequence). Simulations were conducted under various climate change scenarios (Representative Concentration Pathways—RCPs 2.6, 4.5, and 8.5). This paper describes the numerical model, cover materials, and modeling results both with and without covers. Results indicate that Cells #1 and #4, completely reduced sulfate in groundwater, suggesting these configurations would provide the most effective reclamation solutions for the Quémont 2 mine site. Full article

The degradation of groundwater quality due to mining activities is a major public concern globally. This study employed a combination of methods (multivariate statistics, Self-organizing mapping, and PHREEQC hydrogeochemical simulation) to uncover the hydrochemical characteristics and processes of mine water in the Kailuan mining area. Self-organizing mapping (SOM) clustering divided the mine water into three groups, TDS values gradually increased from the first to the third group, and the hydrogeochemical type of mine water gradually changed from Na-HCO₃ and CaMg-HCO₃ to CaMg-SO₄, Na-Cl, and mixed types. Principal component analysis (PCA) revealed that water–rock action and evaporation concentration were major ion concentration factors. According to the molar ion concentration ratio method, the main ions in mine water in Kailuan mining area originate from silicate and sulfate, and a small amount from carbonate rock weathering, and they are influenced by cation exchange. As a result of the PHReactor EQuilibrium Code (PHREEQC) simulation results, it can be concluded that better hydrodynamic conditions in mines are primarily controlled by carbonate dissolution. Mine water with poorer hydrodynamic conditions is mainly controlled by sulfate and carbonate dissolution, with sulfate dissolution having a greater effect. The results of this study provide an important scientific basis for the safe mining of mines and the protection of groundwater resources. Full article

Acid mine drainage (AMD) generated during the exploitation and utilization of mineral resources poses a severe environmental problem globally within the mining industry. The Xiaomixi Stream in Ziyang County, Shaanxi Province, is a primary tributary of the Han River, which is surrounded by historically concentrated mining areas for stone coal and vanadium ores. Rainwater erosion of abandoned mine tunnels and waste rock piles has led to the leaching of acidic substances and heavy metals, which then enter the Haoping River and its tributaries through surface runoff. This results in acidic water, posing a significant threat to the water quality of the South-to-North Water Diversion Middle Route within the Han River basin. According to this study’s investigation, Xiaomixi’s acidic water exhibits yellow and white precipitates upstream and downstream of the river, respectively. These precipitates stem from the oxidation of iron-bearing minerals and aluminum-bearing minerals. The precipitation process is controlled by factors such as the pH and temperature, exhibiting seasonal variations. Taking the Xiaomixi Stream in Ziyang County, Shaanxi Province, as the study area, this paper conducts field investigations, systematic sampling of water bodies and river sediments, testing for iron and aluminum pollutants in water, and micro-area observations using field emission scanning electron microscopy (FESEM) on sediments, along with analyzing the iron and aluminum content. The deposition is analyzed using handheld X-ray fluorescence (XRF) analyzers, X-ray diffraction (XRD), and visible–near-infrared spectroscopy data, and a geochemical model is established using PHREEQC software. This paper summarizes the migration and transformation mechanisms of iron and aluminum pollutants in acidic water and proposes appropriate prevention and control measures. Full article

Copper flotation tailings (FTs), resulting from the separation and beneficiation processes of ores, are a significant source of environmental pollution (acid mine drainage, toxic elements leaching, and dust generation). The most common disposal method for this industrial waste is dumping. However, due to their favorable physical and chemical properties—the high content of aluminosilicate minerals (60–90%)—flotation tailings can be effectively treated and reused through geopolymerization technology, thereby adding value to this waste. The objective of this study was to evaluate the potential of utilizing the geopolymerization of FTs to produce sustainable materials. Geopolymers based on natural zeolite (NZ), sodium-modified natural zeolite (NaZ), and fly ash (FA) were prepared using 20%, 35%, and 50% of FTs, activated with a 10 M NaOH solution. The study investigated the influence of Ca/Si, Si/Al, and Na/Al molar ratios on the structural, thermal, and mechanical properties (XRD, TG/DTG and unconfined compressive strength, UCS), and contaminant immobilization (TCLP method) of geopolymers. Geochemical modeling via the PHREEQC program was employed to interpret the results. The findings indicated that the UCS value decreased in zeolite-based geopolymers as the content of FT increased due to the inertness of the tailings and the low calcium content in the system (Ca/Si ≤ 0.3), in contrast to the FA-based geopolymer. The highest UCS of 44.3 MPa was recorded in an FA-based geopolymer containing 50% flotation tailings, with optimal molar ratios of 0.4 for Ca/Si, 3.0 for Si/Al, and 1.1 for Na/Al. In conclusion, the geopolymerization process has been determined to be a suitable technological approach for the sustainable treatment and reuse of FTs. Full article

This paper presents an in-depth investigation of the biogeochemical modeling approaches applied to underground hydrogen storage. It delves into the intricate dynamics of hydrogen in the subsurface, focusing on small (pore-lab scale) and reservoir-scale models, highlighting the importance of capturing microbial, geochemical, and fluid flow dynamic interactions in porous media to simulate storage performance accurately. Small-scale models offer detailed insights into localized phenomena, such as microbial hydrogen consumption and mineral reactions, and can be verified and calibrated against laboratory data. Conversely, large-scale models are essential to assess the feasibility of a project and forecast the storage performance, but cannot be proven by real data yet. This work addresses the challenge of transitioning from fine-scale to reservoir models, integrating spatial heterogeneity and long-term dynamics while retaining biogeochemical complexity. Through the use of several simulation tools, like PHREEQC, Comsol, DuMuX, Eclipse, CMG-GEM, and others, this study explores how modeling approaches are evolving to incorporate multiphysics processes and biochemical feedback loops, which are essential for predicting hydrogen retention, flow, and potential risks. The findings highlight the strengths and limitations of current modeling techniques and suggest a workflow for exploiting at best existing modeling capabilities and developing reservoir models to support hydrogen storage appraisal and management. Full article

This study aimed to investigate the shallow groundwater status around the Sheba Leather Tannery area, Wikro, North Ethiopia, through geophysical and hydrochemical methods. Seventeen Vertical Electrical Soundings (VESs) acquisitions, 4 upstream and 13 downstream, of the leather tannery area were conducted. Using the data, four geoelectric profiles were generated. The aquifers’ geoelectrical layers, depth, and lateral extent were delineated. The VES curves depicted three to four resistivity layers. These alternating layers of low, moderate, and high resistivity values, traced at different VES points, were attributed to the formations’ composition and the groundwater quality status. Besides the geophysical survey, 32 water samples were collected from the area. Parameters such as electrical conductivity (EC), total dissolved solids (TDSs), pH, major ions, and heavy metals were analyzed. Moreover, PHREEQC was used to determine the groundwater mineral saturation indices where most minerals, except halite, were found supersaturated. The quality status for drinking purposes was also evaluated using the water quality index (WQI), and the water was classified as good (56.3%), poor (37.5%), and very poor (6.2%). The sodium adsorption ratio (SAR) and the percentage of sodium (Na⁺%) were calculated, and the results indicated that the water is suitable for direct use in irrigation. Full article

Currently, the demand for heat production by geothermal energy is increasingly strong amid the controversy surrounding non-renewable forms of energy. In France, the Dogger aquifer in the Paris Basin (DAPB) produces saline geothermal waters (GWs) that are hot (70–85 °C), anaerobic, and slightly acidic (pH 6.1–6.4), and are characterized mainly by the presence of Cl⁻, SO₄²⁻, CO₂/HCO₃⁻, and H₂S/HS. These GWs are corrosive, while the well casings used are carbon steel. GWs have been continuously treated since the 1990s by corrosion inhibitors at the bottom of production wells to reduce water–steel interactions and scaling issues. Electrochemical experiments to optimize inhibitors were carried out on site, protected from the ambient atmosphere, with actual geothermal water, using water tapping at the wellhead. Currently, carbon steel corrosion/scaling, corrosion inhibition phenomenology, and kinetics evaluation remain important challenges. These issues are, of course, linked to the durability of installations. The novelty of our work consists of our validation of a modus operandi that properly reproduces, at the laboratory scale, operating conditions similar to those encountered on the types of geothermal installations. Particular attention was paid to characterizing waters and gases from 13 production wellheads that were modelled with PhreeqC^® Version 3 hydrogeochemical software and the Thermoddem thermodynamic database for implementing standardized reconstituted geothermal water (SRGW), a well-balanced water representative of the major elements and dissolved gases of actual DAPB geothermal waters. The developed electrochemical setup enabled us to analyze corrosion mechanisms such as those observed on site and to investigate corrosion inhibition using petrosourced and biosourced inhibitors. The modus operandi constitutes a reference for further investigations, at the laboratory scale, of corrosion inhibition. These investigations may include screening and optimizing the formulas of petrosourced and biosourced inhibitors for use in DAPB waters. Full article

Zuogong County is located in the southeast of Tibet, which is rich in hot spring geothermal resources, but its development and utilization degree are low, and the genetic mechanism of the geothermal system is not clear. Hydrogeochemical characteristics of geothermal water are of great significance in elucidating the genesis and evolution of geothermal systems, as well as the sustainable development and utilization of geothermal resources. The hydrogeochemical characteristics and genesis of the geothermal water in Zuogong County were investigated using hydrogeochemical analysis, a stable isotope (δD, δ¹⁸O) approach, and an inverse simulation model for water–rock reactions using the PHREEQC. The results indicated that the Zuogong geothermal system is a deep circulation heating type without a magmatic heat source. The chemical types present in the geothermal water from the Zuogong area are HCO₃ and HCO₃·SO₄, and the main cations are Na⁺ and Ca²⁺. The groundwater is replenished by atmospheric precipitation and glacier meltwater. The salt content of geothermal water mainly comes from the interaction between water and surrounding rocks during the deep circulation process. The reservoir temperature of geothermal water in Zuogong is 120–176 °C before mixing with non-geothermal water and drops to 62–98 °C after mixing with 58 to 79% of non-geothermal water. According to the proposed conceptual model, geothermal water mainly produces water–rock interaction with aluminosilicate minerals in the deep formation, while in shallow areas it interacts mainly with sulfate minerals. These findings contribute to a better understanding of the geothermal system in Zuogong County, Tibet. Full article