A Study on the Surface Wettability of Clastic Rocks with Potential Application for CO2 Storage Sites

Umar, Bappah Adamu; Gholami, Raoof; Raza, Arshad; Downey, W. S.; Sarmadivaleh, Mohammad; Shah, Afroz Ahmad; Nayak, Prasant

doi:10.1007/s11053-019-09553-x

Cited by 16 publications

(6 citation statements)

References 25 publications

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“…This presents compelling evidence of the reliability of the applied simulation methods. Furthermore, the observed positive correlation between water contact angle and pressure in a CO 2 environment is consistent with previously reported results for shale, , illite, mica, , quartz, , and other systems …”

Section: Resultsmentioning

confidence: 99%

“…Furthermore, the observed positive correlation between water contact angle and pressure in a CO 2 environment is consistent with previously reported results for shale, 10,85 illite, 86 mica, 14,33 quartz, 87,88 and other systems. 89 Effect of Temperature on the Wettability of Illite. The wettability of illite was assessed at two different temperatures, specifically 333 and 353 K, under a pressure of 5 MPa.…”

Section: ■ Simulation Process Detailsmentioning

confidence: 99%

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Molecular Dynamics Perspective of Illite Wettability in Induced Acidic Conditions during Supercritical and Subcritical Carbon Dioxide Sequestration in Deep Saline Aquifers

Ali,

Negash,

Ridha

et al. 2024

Energy Fuels

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Wettability plays a vital role in evaluating the structural integrity of caprock, typically shale, during the implementation of geological carbon storage (GCS). There have been limited investigations of the wettability of clay minerals, which is common in shale formations, especially concerning carbon dioxide (CO 2 ) injection into saline aquifers. Furthermore, the consequence of CO 2 dissolution in aquifer brine, resulting in acidic conditions, on the wettability of clay−CO 2 −brine systems has not been thoroughly investigated. This study utilizes molecular dynamic modeling to investigate the wettability of the illite−CO 2 −brine system under conditions corresponding to a typical deep saline aquifer. The wettability has been studied through the measurement of the water contact angle, adopting the microscopic wetting technique. In addition, the wettability has been further examined qualitatively by the analysis of relative concentration and radial distribution function. A comparative analysis was also carried out to assess the findings of this study in relation to applicable literature data. The results of this study suggested that illite's wettability shifts from hydrophilic to hydrophobic under induced acidic conditions, irrespective of the brine's salinity and the type of CO 2 injection (either supercritical or subcritical). The water contact angle increased considerably from 44°in nonacidic conditions at 5 MPa and 333 K to 80°in acidic conditions at 10 MPa and 333 K. Furthermore, the competitive microscopic distribution revealed that acidic conditions facilitate the adsorption of CO 2 onto illite. The results also showed that acidic conditions have a greater impact on the wettability alteration under supercritical conditions as opposed to subcritical conditions. In addition to the acidic conditions, the water wettability of the illite−CO 2 −brine system is significantly reduced by elevated pressure, increased brine salinity, and a higher level of organic content in the rock. This work is expected to contribute to a better understanding of the wettability characteristics of caprocks in various geo-storage scenarios.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Simulation Process Detailsmentioning

confidence: 99%

Molecular Dynamics Perspective of Illite Wettability in Induced Acidic Conditions during Supercritical and Subcritical Carbon Dioxide Sequestration in Deep Saline Aquifers

Ali,

Negash,

Ridha

et al. 2024

Energy Fuels

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“…The wettability of shale plays a crucial role in controlling adsorption, diffusion, and flow behaviors, which significantly affect CO 2 storage capacity and containment security. − The wettability of shale has a significant influence on the CO 2 injectivity, transport, and sweep efficiency in shale formation, which influences the ultimate CO 2 storage efficiency of the shale formation. In addition, potential leakage ways of CO 2 in caprock include diffusion, fracture flow, and capillary breakthrough, which are also significantly influenced by the wettability behavior of the shale. − …”

Section: Alterations In Physical and Chemical Properties Of Shalementioning

confidence: 99%

Comprehensive Review of Property Alterations Induced by CO₂–Shale Interaction: Implications for CO₂ Sequestration in Shale

et al. 2022

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CO2–shale interaction performs a crucial role in determining the capacity and leakage risk of CO2 storage in shale reservoirs. In this paper, the alterations of physical and chemical properties of shale triggered by CO2–shale interaction are reviewed, and then the implications for CO2 sequestration in shale formations are discussed. CO2–shale interaction induced the mineral alterations in shale and then further induced the pore structure alterations. The pore structure alterations are mainly controlled by mineral dissolution/precipitation and extraction and CO2 adsorption induced swelling in shale, which is closely related to the reservoir pressures and temperatures. Furthermore, the mineral and pore structure alterations may also influence the wetting behavior of shale. After CO2 exposure, the contact angle of shale increased, indicated the weakening in the hydrophilicity of the shale surface. The microscopic property alterations induced the macroscopic mechanical properties of shale to be weakened after CO2–shale interaction. The permeability variation of shale is significantly influenced by chemical–mechanical coupling effects including mineral dissolution/precipitation, adsorption induced swelling, wettability, and mechanical weakening induced by CO2–shale interaction. The shale property alterations will ultimately affect the CO2 storage capacity and security in shale. Future research needs to focus on the CO2–shale interaction covering multiple spatial and temporal scales at in situ conditions and considering the chemical–mechanical coupling effect on CO2 sequestration in shale.

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“…Subsurface geologic formations, i.e., depleted hydrocarbon reservoirs and saline aquifers, have been explored for large-scale CO 2 [ 28 , 29 , 30 , 31 , 32 , 33 ] as well as hydrogen (H 2 ) storage [ 34 ]. Recently, coal seams [ 26 ] and basaltic rocks [ 35 ] have also been investigated for their H 2 storage potential, albeit at a lab scale.…”

Section: Introductionmentioning

confidence: 99%

H2, CO2, and CH4 Adsorption Potential of Kerogen as a Function of Pressure, Temperature, and Maturity

Raza

Mahmoud

Alafnan

et al. 2022

IJMS

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We performed molecular dynamics simulation to elucidate the adsorption behavior of hydrogen (H2), carbon dioxide (CO2), and methane (CH4) on four sub-models of type II kerogens (organic matter) of varying thermal maturities over a wide range of pressures (2.75 to 20 MPa) and temperatures (323 to 423 K). The adsorption capacity was directly correlated with pressure but indirectly correlated with temperature, regardless of the kerogen or gas type. The maximum adsorption capacity was 10.6 mmol/g for the CO2, 7.5 mmol/g for CH4, and 3.7 mmol/g for the H2 in overmature kerogen at 20 MPa and 323 K. In all kerogens, adsorption followed the trend CO2 > CH4 > H2 attributed to the larger molecular size of CO2, which increased its affinity toward the kerogen. In addition, the adsorption capacity was directly associated with maturity and carbon content. This behavior can be attributed to a specific functional group, i.e., H, O, N, or S, and an increase in the effective pore volume, as both are correlated with organic matter maturity, which is directly proportional to the adsorption capacity. With the increase in carbon content from 40% to 80%, the adsorption capacity increased from 2.4 to 3.0 mmol/g for H2, 7.7 to 9.5 mmol/g for CO2, and 4.7 to 6.3 mmol/g for CH4 at 15 MPa and 323 K. With the increase in micropores, the porosity increased, and thus II-D offered the maximum adsorption capacity and the minimum II-A kerogen. For example, at a fixed pressure (20 MPa) and temperature (373 K), the CO2 adsorption capacity for type II-A kerogen was 7.3 mmol/g, while type II-D adsorbed 8.9 mmol/g at the same conditions. Kerogen porosity and the respective adsorption capacities of all gases followed the order II-D > II-C > II-B > II-A, suggesting a direct correlation between the adsorption capacity and kerogen porosity. These findings thus serve as a preliminary dataset on the gas adsorption affinity of the organic-rich shale reservoirs and have potential implications for CO2 and H2 storage in organic-rich formations.

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A Study on the Surface Wettability of Clastic Rocks with Potential Application for CO2 Storage Sites

Cited by 16 publications

References 25 publications

Molecular Dynamics Perspective of Illite Wettability in Induced Acidic Conditions during Supercritical and Subcritical Carbon Dioxide Sequestration in Deep Saline Aquifers

Molecular Dynamics Perspective of Illite Wettability in Induced Acidic Conditions during Supercritical and Subcritical Carbon Dioxide Sequestration in Deep Saline Aquifers

Comprehensive Review of Property Alterations Induced by CO₂–Shale Interaction: Implications for CO₂ Sequestration in Shale

H2, CO2, and CH4 Adsorption Potential of Kerogen as a Function of Pressure, Temperature, and Maturity

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A Study on the Surface Wettability of Clastic Rocks with Potential Application for CO2 Storage Sites

Cited by 16 publications

References 25 publications

Molecular Dynamics Perspective of Illite Wettability in Induced Acidic Conditions during Supercritical and Subcritical Carbon Dioxide Sequestration in Deep Saline Aquifers

Molecular Dynamics Perspective of Illite Wettability in Induced Acidic Conditions during Supercritical and Subcritical Carbon Dioxide Sequestration in Deep Saline Aquifers

Comprehensive Review of Property Alterations Induced by CO2–Shale Interaction: Implications for CO2 Sequestration in Shale

H2, CO2, and CH4 Adsorption Potential of Kerogen as a Function of Pressure, Temperature, and Maturity

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Product

Resources

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Comprehensive Review of Property Alterations Induced by CO₂–Shale Interaction: Implications for CO₂ Sequestration in Shale