Interfacial properties of the hydrogen+brine system in the presence of hydrophilic silica

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 101, P. 741 - 749

Published: Jan. 5, 2025

Language: Английский

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Investigation of Wettability and IFT Alteration during Hydrogen Storage Using Machine Learning

Heliyon, Journal Year: 2024, Volume and Issue: 10(19), P. e38679 - e38679

Published: Sept. 30, 2024

Language: Английский

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The Influence of CH₄ and CO₂ on the Interfacial Tension of H₂–Brine, Water–H₂–Rock Wettability, and Their Implications on Geological Hydrogen Storage

Energy & Fuels, Journal Year: 2024, Volume and Issue: 38(16), P. 15834 - 15847

Published: Aug. 2, 2024

Underground porous formations provide significant storage capacity for H2 and CO2, making them a promising solution to aid energy needs mitigate CO2 emissions. The interfacial tension (IFT) of H2–brine within the underground formations, along with H2–H2O–rock wettability, is crucial factor in determining efficiency hydrogen (UHS). Cushion gas normally preinjected maintain reservoir pressure, prevent migration into rock matrix, control both injectivity productivity. Hereby, we examined influence CH4 as cushion gases at different temperatures, pressures, salinity conditions on IFT water–H2–rock wettability. We employed molecular dynamics (MD) simulations confronted our results against experimentally reported data literature. In addition, have assessed interfaces confined slit nanopore relevant calcite silica formations. Our reveal that brine–H2 interface not significantly sensitive pressure. However, increasing temperature reduced H2–brine, contrast increases IFT. (CH4 CO2) reduce when mixed hydrogen, having more pronounced effect than across all salinities. Such an impact due strong water–CO2 interactions compared water–CH4 water–H2 interactions. Both (CO2 CH4) could perturb surface hydrations maintaining zero-contact angle except low pH sandstone Calcite their water-wet state temperature, salinity. sandstone, predicted intermediate very good agreement experimental data. capillary pressure maps are built visualize wettability flow, mechanism, caprock sealing efficiency. pointed out be potential while (at acidic pH), using might lead loss matrix. Furthermore, investigation required confirm such these

Language: Английский

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Hydrogen storage in depleted gas reservoirs using methane cushion gas: An interfacial tension and pore scale study

Journal of Energy Storage, Journal Year: 2024, Volume and Issue: 98, P. 113110 - 113110

Published: July 26, 2024

Language: Английский

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A Novel Algorithm for Modelling Gas–Oil Dynamic Interfacial Tension (IFT) and Component Exchange Mechanisms

Research Square (Research Square), Journal Year: 2025, Volume and Issue: unknown

Published: April 24, 2025

Interfacial tension (IFT) between two immiscible phases is a key parameter in various oil and gas industries, especially enhanced recovery (EOR) Carbon dioxide capture storage (CCS). There are several laboratory methods for measuring IFT, of which the pendant drop method one most commonly used. This can be used both thermodynamic equilibrium dynamic approaches. For more complete study modeling to investigate process component exchange determine mechanism equilibrium. this purpose, novel computational algorithm presented that calculates IFT under (non-thermodynamic equilibrium) conditions at different time intervals, where each step separately considered Vapor–liquid (VLE) calculations were performed using Peng-Robinson equation state (PR-EOS), was calculated Parachor model. The power proposed model also matching fit experimental data. Over time, increases, thereby reducing IFT. decreasing continues until it reaches constant (thermodynamic value. In step, exchangeable components calculated, their transfer directions determined. results show rate differed any time. However, intermediate intense beginning experiment, but gradually, as passed exchanged phases, decreased. ultimately reduces average molecular weight viscosity over goals injecting into reservoirs. Therefore, changes composition gas, well properties oil, reach two-phase paper, decreased by an approximately 31% compared first contact due exchange. mass about 39% 23%, respectively. These justify use rich injection because increase mobility during process. Thus, effectively studies reservoirs accurately identify mechanisms reservoir conditions.

Language: Английский

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Atomic-Scale Insights into the Phase Behavior of Carbon Dioxide and Water from 313 to 573 K and 8 to 30 MPa

ACS Omega, Journal Year: 2024, Volume and Issue: 9(19), P. 20976 - 20987

Published: May 3, 2024

We performed molecular dynamics (MD) simulations of CO2 + H2O systems by employing widely used force fields (EPM2, TraPPE, and PPL models for CO2; SPC/E TIP4P/2005 H2O). The phase behavior observed in our MD is consistent with the coexistence lines obtained from previous experiments SAFT-based theoretical equations state. Our structural analysis reveals a pronounced correlation between transitions orderliness. Specifically, coordination number Ow (oxygen H2O) around other significantly correlates changes. In contrast, numbers pertaining to molecules show less sensitivity thermodynamic state system. Furthermore, data indicate that predominant exist as monomers without forming hydrogen bonds, particularly CO2-rich mixture, signaling breakdown bond network's orderliness, evidenced marked decrease tetrahedrality. These insights are crucial deeper atomic-level understanding behaviors, contributing well-grounded design injection under high-pressure high-temperature conditions, where an atomic-scale perspective still lacking.

Language: Английский

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The Effect of Impurities (H₂O, O₂, SO₂, NO, and NO₂) on Supercritical CO₂ Structures in Relation to CO₂ Pipeline Transport

Energy & Fuels, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 25, 2024

Supercritical CO2 (s-CO2) pipeline transport is a critical component of the carbon capture and storage system. One primary safety concern structural integrity corrosion stress cracking induced by presence aggressive impurities in transported high-pressure s-CO2 streams. Although considerable number studies have been conducted to address corrosion, fundamental knowledge gaps, particularly influence these corrosive on s-CO2, remain be addressed. This study employs molecular dynamics simulations investigate effects representative (H2O, O2, SO2, NO, NO2) structures under designed transportation conditions. The results indicate that self-interactions among molecules shall enhanced with introduction trace amounts impurities, reaching plateau value, then weaken further increases impurity concentrations. For investigated, exhibits an affinity order NO > NO2> SO2 O2> H2O. In H2O tend aggregate locally, while other are uniformly distributed. Similar pure scenario, can still form T-shapes neighboring impurities. Besides, show tendency T-shape all examined except There no preferential structure presented between due aggregation. These findings advance understanding how affect consequently lead different damage steels.

Language: Английский

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Modeling interfacial tension in hydrogen-water/brine systems for optimizing underground hydrogen storage

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 100, P. 1385 - 1401

Published: Dec. 31, 2024

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