A comparative study on transport and interfacial physics of H2/CO2/CH4 interacting with H2O and/or silica by molecular dynamics simulation

Chen, Cheng; Xia, Jun

doi:10.1063/5.0184754

Cited by 3 publications

(1 citation statement)

References 84 publications

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“…In addition to T , P, and brine salinity, an important role is played by the mineral or rock, whose tension with brine or gas is not measured but can be evaluated indirectly. [70][71][72][73] As a rule, H 2 does not significantly alter the water-wet character (i.e., contact angles remain low) of most minerals, even at high P, 56,73,74 whereas pressurized CO 2 may induce a significant increase in contact angles -up to values close to 90 • (neutral-wet) at high P, 75,76 especially when some (minute amount of) organic acid is present. 77 CO 2 added to H 2 alters the water-wet character of minerals or rock substrates more than N 2 and CH 4 .…”

Section: Relevant Interfacial Propertiesmentioning

confidence: 94%

Synergies of storing hydrogen at the crest of CO2${\rm CO}_{2}$ or other gas storage

Rhouma,

Chabab,

Broseta

2024

Greenhouse Gases

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There are mutual benefits in storing in sedimentary reservoirs jointly with another gas serving as a cushion gas, such as the of a carbon capture and storage (CCS) operation or the natural gas of seasonal storage or left in a depleted hydrocarbon reservoir. When occupies the crest of the reservoir, the presence of either gas is beneficial to the other. reinforces the sealing efficiency of the caprock due to its very favorable interfacial properties with respect to brine and rock‐forming minerals. storage safety and capacity are also increased with cushion gases such as , which alleviate the buoyancy pressure at the top of the gas column. The potential drawback of this storage scheme is gas/gas mixing, which can, however, be strongly reduced if, by an appropriate choice of well completion and placement, is positioned in the upper zones of the reservoir, and its injection rate is kept below a critical value corresponding to the incipient fingering instability of the gas mixing zone. This value, which depends on reservoir permeability, the dip angle of the mixing front, and how density varies with viscosity in the mixing front, turns out to be well above practical injection rates. Therefore, dispersive mixing is the only cause of front spreading, which is acceptable for not‐too‐heterogeneous reservoirs. The mutual benefits identified in this study are the strongest when the cushion is made up of dense , which suggests that the crest of offshore storage reservoirs is a good candidate for storage. © 2024 The Authors. Greenhouse Gases: Science and Technology published by Society of Chemical Industry and John Wiley & Sons Ltd.

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Section: Relevant Interfacial Propertiesmentioning

confidence: 94%

Synergies of storing hydrogen at the crest of CO2${\rm CO}_{2}$ or other gas storage

Rhouma,

Chabab,

Broseta

2024

Greenhouse Gases

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Microscopic insights into water wetting behaviors and physical origin on α-quartz exposed to varying underground gas species

Huang,

Yang,

Kang

et al. 2024

Chemical Engineering Journal

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Using Molecular Dynamics Simulation to Estimate Storage Capacity in Depleted Gas Reservoirs for Underground Hydrogen Storage

Doan,

Keshavarz,

Behrenbruch

et al. 2024

Apogce 2024

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The Underground Hydrogen Storage (UHS) project, a significant potential solution, not only offers clean fuel but also holds the promise of replacing traditional fossil fuels, thereby significantly reducing CO2 emissions. Subsurface geologic formations, particularly depleted gas reservoirs, have been identified as crucial geological targets for injecting and storing H2 into underground formations for CCS and UHS projects. Accurate storage capacity assessment requires estimating the amount of H2 that can be safely stored in underground formations is essential. Because H2 injection in depleted gas reservoirs can escape through caprock as the breakthrough pressure of injected gas is above the capillary entry pressure, which is described as a function of contact angles (θ) and interfacial tensions (γ) and effectively capillary (or pore) radius. While experimental measurement of γ and θ can be challenging and inaccurate under reservoir conditions, especially in high pressure, high temperature or the presence of toxic gas (H2S) or flammable gas (CH4 or H2), Molecular dynamics (MD) simulations have been conducted to accurately determine the γ and θ under extreme conditions without safety concerns. This study presents an approach of Molecular Dynamics (MD) simulations to predict interfacial tension and contact angle and investigate the effects of an H2-CH4 mixture to assess gas column height. The study indicates that the difference between MD and experimental outcomes is less than 5%. Furthermore, in the case of shale as caprock, the gas column height in depleted reservoirs reduces with increasing H2 concentration in an H2-CH4 mixture. It offers a solution to quickly evaluate the impacts of risk and uncertainty of key parameters (such as interfacial tension, contact angle or density difference) in assessing H2 column heights in depleted gas reservoirs. The advancements made in this study significantly contribute to the de-risking and safety of large-scale UHS projects, thereby instilling confidence in the successful decarbonization of the energy supply.

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A comparative study on transport and interfacial physics of H2/CO2/CH4 interacting with H2O and/or silica by molecular dynamics simulation

Cited by 3 publications

References 84 publications

Synergies of storing hydrogen at the crest of CO2${\rm CO}_{2}$ or other gas storage

Synergies of storing hydrogen at the crest of CO2${\rm CO}_{2}$ or other gas storage

Microscopic insights into water wetting behaviors and physical origin on α-quartz exposed to varying underground gas species

Using Molecular Dynamics Simulation to Estimate Storage Capacity in Depleted Gas Reservoirs for Underground Hydrogen Storage

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