DFT modeling of CO 2 and Ar low-pressure adsorption for accurate nanopore structure characterization in organic-rich shales

Zhang, Li; Xiong, Yongqiang; Li, Yun; Wei, Mingming; Jiang, Wenmin; Lei, Rui; Wu, Zikang

doi:10.1016/j.fuel.2017.05.046

Cited by 68 publications

(60 citation statements)

References 59 publications

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“…CO2 adsorption at 273 K provides more detailed information of micropores. Ar and CO2 adsorptions have been combined to characterize nanopore structure of shale [47]. As for Ar adsorption, Brunauer−Emmett−Teller (BET) model was used to obtain specific surface areas (As), and Barrett, Joyner and Halenda (BJH) model was used to characterize pore size distributions (PSD).…”

Section: Methodsmentioning

confidence: 99%

The effects of solvent extraction on nanoporosity of marine-continental coal and mudstone

Cai

et al. 2019

Fuel

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Section: Methodsmentioning

confidence: 99%

The effects of solvent extraction on nanoporosity of marine-continental coal and mudstone

Cai

et al. 2019

Fuel

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“…The determination of the pore volume or the pore-size distribution through gasadsorption isotherm methods relies on mechanisms driving the adsorption of a gas. In the case of shales, this method is dominated by physisorption or physical adsorption of the commonly used gases, e.g., CO 2 , N 2 , Ar [51][52][53][54]. The adsorption process consists of the accumulation of gas molecules on a surface (usually a solid) through weak van der Waals and electrostatic interactions, giving gas molecules the ability to form a single layer or multiple ones on the surface.…”

Section: Adsorption Mechanismsmentioning

confidence: 99%

Use of Gas Adsorption and Inversion Methods for Shale Pore Structure Characterization

Medina-Rodriguez

Alvarado

2021

Energies

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The analysis of porosity and pore structure of shale rocks has received special attention in the last decades as unconventional reservoir hydrocarbons have become a larger parcel of the oil and gas market. A variety of techniques are available to provide a satisfactory description of these porous media. Some techniques are based on saturating the porous rock with a fluid to probe the pore structure. In this sense, gases have played an important role in porosity and pore structure characterization, particularly for the analysis of pore size and shapes and storage or intake capacity. In this review, we discuss the use of various gases, with emphasis on N2 and CO2, for characterization of shale pore architecture. We describe the state of the art on the related inversion methods for processing the corresponding isotherms and the procedure to obtain surface area and pore-size distribution. The state of the art is based on the collation of publications in the last 10 years. Limitations of the gas adsorption technique and the associated inversion methods as well as the most suitable scenario for its application are presented in this review. Finally, we discuss the future of gas adsorption for shale characterization, which we believe will rely on hybridization with other techniques to overcome some of the limitations.

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“…However, due to DFT versatile use for microporous and mesoporous materials, we believe that PSD in Figure 2(a) is in agreement with actual pores structure. Furthermore, DFT is considered as a better method of analyzing nanopores than BJH, as stated in [29]. On the other hand, BJH method Journal of Nanomaterials may be used for evaluating PSD for pores with higher diameter than 30 nm, thus presenting results for whole mesoporous structure.…”

Section: Textural Characterizationmentioning

confidence: 99%

Impact on CO₂ Uptake of MWCNT after Acid Treatment Study

Zgrzebnicki

Krauze

Gęsikiewicz-Puchalska

et al. 2017

Journal of Nanomaterials

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Greenhouse effect is responsible for keeping average temperature of Earth's atmosphere at level of about 288 K. Its intensification leads to warming of our planet and may contribute to adverse changes in the environment. The most important pollution intensifying greenhouse effect is anthropogenic carbon dioxide. This particular gas absorbs secondary infrared radiation, which in the end leads to an increase of average temperature of Earth's atmosphere. Main source of CO 2 is burning of fossil fuels, like oil, natural gas, and coal. Therefore, to reduce its emission, a special CO 2 capture and storage technology is required. Carbonaceous materials are promising materials for CO 2 sorbents. Thus multiwalled carbon nanotubes, due to the lack of impurities like ash in activated carbons, were chosen as a model material for investigation of acid treatment impact on CO 2 uptake. Remarkable 43% enhancement of CO 2 sorption capacity was achieved at 273 K and relative pressure of 0.95. Samples were also thoroughly characterized in terms of texture (specific surface area measurement, transmission electron microscope) and chemical composition (X-ray photoelectron spectroscopy).

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DFT modeling of CO 2 and Ar low-pressure adsorption for accurate nanopore structure characterization in organic-rich shales

Cited by 68 publications

References 59 publications

The effects of solvent extraction on nanoporosity of marine-continental coal and mudstone

The effects of solvent extraction on nanoporosity of marine-continental coal and mudstone

Use of Gas Adsorption and Inversion Methods for Shale Pore Structure Characterization

Impact on CO₂ Uptake of MWCNT after Acid Treatment Study

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DFT modeling of CO 2 and Ar low-pressure adsorption for accurate nanopore structure characterization in organic-rich shales

Cited by 68 publications

References 59 publications

The effects of solvent extraction on nanoporosity of marine-continental coal and mudstone

The effects of solvent extraction on nanoporosity of marine-continental coal and mudstone

Use of Gas Adsorption and Inversion Methods for Shale Pore Structure Characterization

Impact on CO2 Uptake of MWCNT after Acid Treatment Study

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Impact on CO₂ Uptake of MWCNT after Acid Treatment Study