Hydrophilicity/hydrophobicity driven CO2 solubility in kaolinite nanopores in relation to carbon sequestration

Li, Wenhui; Nan, Yiling; Zhang, Zilin; You, Qing

doi:10.1016/j.cej.2020.125449

Cited by 45 publications

(35 citation statements)

References 61 publications

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“…Three pore sizes (1, 2, and 4 nm) are designed to represent the kerogen nanopores, which are within the dominant pore size distribution in kerogen. , CO 2 and water molecules can freely move in the system via molecular diffusion. Once the system reaches equilibrium (chemical potentials of water and CO 2 in the nanopore and bulk water reservoirs are equal ,, ), the distributions of CO 2 and water in the nanopore and bulk water reservoirs can be obtained in the corresponding regions. To minimize the pore end effect, we only use the center region of the kerogen nanopore (6 nm in the center in the x -direction, marked as “analysis region” in Figure a) for analysis.…”

Section: Methodsmentioning

confidence: 99%

“…The detailed review of the above works can be found in our recent work and a recent review paper . According to our recent works, , CO 2 solubility in water/brine in the kaolinite and silica nanopores strongly depends on the confinement surface chemistry. Therefore, CO 2 solubility in water in kerogen nanopores might be dependent on its maturity.…”

Section: Introductionmentioning

confidence: 98%

“…For example, CO 2 might exist in kerogen nanopores in the dissolved form. ,, It is observed that gas solubility in the solvent in nanopores differs from that in bulk due to the strong confinement effect . There have been some studies on the gas solubility in the solvent in nano-scale pores. − They concluded that nano-confinements have significant impacts, either enhancing or reducing the gas solubility in the solvent depending on the confinement properties, pore size, as well as configurations of gas and solvent molecules and their size ratio, and so forth. ,,,,, The enhanced and reduced gas solubilities are referred to as “over-solubility” and “under-solubility”, respectively. The detailed review of the above works can be found in our recent work and a recent review paper .…”

Section: Introductionmentioning

confidence: 99%

“…There have been some studies on the gas solubility in the solvent in nano-scale pores. − They concluded that nano-confinements have significant impacts, either enhancing or reducing the gas solubility in the solvent depending on the confinement properties, pore size, as well as configurations of gas and solvent molecules and their size ratio, and so forth. ,,,,, The enhanced and reduced gas solubilities are referred to as “over-solubility” and “under-solubility”, respectively. The detailed review of the above works can be found in our recent work and a recent review paper . According to our recent works, , CO 2 solubility in water/brine in the kaolinite and silica nanopores strongly depends on the confinement surface chemistry.…”

Section: Introductionmentioning

confidence: 99%

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Molecular Dynamics Study on CO₂ Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size

Zhang

Nan

et al. 2020

Langmuir

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CO2 sequestration in shale reservoirs is an economically viable option to alleviate carbon emission. Kerogen, a major component in the organic matter in shale, is associated with a large number of nanopores, which might be filled with water. However, the CO2 storage mechanism and capacity in water-filled kerogen nanopores are poorly understood. Therefore, in this work, we use molecular dynamics simulation to study the effects of kerogen maturity and pore size on CO2 storage mechanism and capacity in water-filled kerogen nanopores. Type II kerogen with different degrees of maturity (II-A, II-B, II-C, and II-D) is chosen, and three pore sizes (1, 2, and 4 nm) are designed. The results show that CO2 storage mechanisms are different in the 1 nm pore and the larger ones. In 1 nm kerogen pores, water is completely displaced by CO2 due to the strong interactions between kerogen and CO2 as well as among CO2. CO2 storage capacity in 1 nm pores can be up to 1.5 times its bulk phase in a given volume. On the other hand, in 2 and 4 nm pores, while CO2 is dissolved in the middle of the pore (away from the kerogen surface), in the vicinity of the kerogen surface, CO2 can form nano-sized clusters. These CO2 clusters would enhance the overall CO2 storage capacity in the nanopores, while the enhancement becomes less significant as pore size increases. Kerogen maturity has minor influences on CO2 storage capacity. Type II-A (immature) kerogen has the lowest storage capacity because of its high heteroatom surface density, which can form hydrogen bonds with water and reduce the available CO2 storage space. The other three kerogens are comparable in terms of CO2 storage capacity. This work should shed some light on CO2 storage evaluation in shale reservoirs.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Molecular Dynamics Study on CO₂ Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size

Zhang

Nan

et al. 2020

Langmuir

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“…The phase of these samples is characterized by XRD. As shown in Figures 2(a)-2(f), by comparing the diffraction peaks with the standard cards, it is confirmed that the materials are correspondingly attapulgite, halloysite, sepiolite, montmorillonite, kaolinite, and diatomite, respectively [50][51][52][53][54][55].…”

Section: Resultsmentioning

confidence: 58%

Natural Nanominerals Show Enzyme-Like Activities

Feng

Wang

Zhang

et al. 2021

Journal of Nanomaterials

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Natural nanominerals (NNMs) are progressively deposited during earth’s formation. They have shown a broad range of applications from industrial catalysis, environmental treatment, and earth science to pharmaceutics due to their unique nanostructures and characteristics. Here, we first report that NNMs have intrinsic enzyme-like properties and show good biocompatibility. First, we characterized the morphology and structure of the six most representative NNMs including sepiolite, attapulgite, halloysite, montmorillonite, kaolinite, and diatomite by SEM, TEM, and XRD. Then, we quantitatively tested their peroxidase- (POD-), catalase- (CAT-), oxidase- (OXD-), and superoxide dismutase- (SOD-) like activities. The results indicate that different kinds of NNMs show varying degrees of POD-like, CAT-like, and SOD-like activities and minor OXD-like activity. Finally, we tested their cytotoxicity and found that the selected representative NNMs have no or less influence on cell viability, showing high biosafety. At present, NNMs have been widely used, mostly focusing on the physical and chemical properties, such as luminescence and conductivity. Our work promotes the understanding of NNMs, providing a new direction for the better application of NNMs.

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Reciprocal cross‐correlation analysis of two‐phase seepage processes and reservoir heterogeneities in CO₂ saline aquifer sequestration

Zhong,

Li,

et al. 2024

Greenhouse Gases

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When CO2 saline aquifer storage is carried out, the heterogeneity of reservoir rock is an important factor affecting CO2 transport, and the reservoir heterogeneity in numerical simulations is mainly manifested as the heterogeneity of the parameter field. Since the parameter distributions across the reservoir are not available with the existing probes, the stochastic finite element method is combined with a two‐phase flow model to establish an unconditional random field of permeability, and computations are performed using the Monte Carlo method. The permeability, CO2 maximum migration distance (Md) and CO2 sweep area (Sa) were analyzed for mutual correlation. The permeability correlation area affecting Md and Sa was obtained, and the changes in the correlation area under the coefficient of variation (Cv) and correlation length (λx) of the permeability field in the different reservoirs were analyzed. The kriging superposition approach (KSA) was subsequently used to estimate both the Md and Sa of the target reservoir by establishing conditional random fields based on the sampling parameters in regions with different correlations, resulting in errors of 0.66% for Md and 0.96% for Sa in the high correlation region and 4.86% and 3.12% for Md and Sa in the low correlation region, which suggested that the sampling results from the high correlation region were less biased in the estimation. Under limited sampling conditions, it is recommended that samples be collected in regions with high correlations to reduce the uncertainty of CO2 transport analysis due to unknown heterogeneity. © 2024 Society of Chemical Industry and John Wiley & Sons, Ltd.

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Hydrophilicity/hydrophobicity driven CO2 solubility in kaolinite nanopores in relation to carbon sequestration

Cited by 45 publications

References 61 publications

Molecular Dynamics Study on CO₂ Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size

Molecular Dynamics Study on CO₂ Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size

Natural Nanominerals Show Enzyme-Like Activities

Reciprocal cross‐correlation analysis of two‐phase seepage processes and reservoir heterogeneities in CO₂ saline aquifer sequestration

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Hydrophilicity/hydrophobicity driven CO2 solubility in kaolinite nanopores in relation to carbon sequestration

Cited by 45 publications

References 61 publications

Molecular Dynamics Study on CO2 Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size

Molecular Dynamics Study on CO2 Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size

Natural Nanominerals Show Enzyme-Like Activities

Reciprocal cross‐correlation analysis of two‐phase seepage processes and reservoir heterogeneities in CO2 saline aquifer sequestration

Contact Info

Product

Resources

About

Molecular Dynamics Study on CO₂ Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size

Molecular Dynamics Study on CO₂ Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size

Reciprocal cross‐correlation analysis of two‐phase seepage processes and reservoir heterogeneities in CO₂ saline aquifer sequestration