Molecular simulations of the effects of CO2 and N2 injection on CH4 adsorption, coal porosity and permeability

Jienan Pan, Fengmei Jiao, Kai Wang, Yunbo Li, Dangyu Song, Quanlin Hou

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Abstract


CO2/N2-enhanced coalbed methane recovery is an important means of increasing coalbed methane production, and understanding the competitive adsorption of CO2, CH4 and N2 in coalbeds and its impact on coal properties is important. A structural model for anthracite from Daning-Jixian was constructed based on elemental analyses, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and carbon nuclear magnetic resonance data. The grand canonical Monte Carlo method was used to research the competitive adsorption of multiple gases on coal and changes in the porosity and permeability. These results indicated that with increasing CO2 injection, considerable methane desorption occurred in the coal seams, and the porosity and permeability of the coal decreased. During N2 injection, the adsorption of methane on the coal increased, and the porosity and permeability of the coal increased gradually. However, the desorption rate of CH4 after injection of N2 was much lower than that after injection of CO2. With CO2 and N2 injection, as the molar mass ratio of N2 to CO2 increased, the quantity of CO2 adsorbed decreased, and the total amount of gas adsorbed on the coal decreased, which increased the porosity of the coal. At an the molar mass ratio of N2 to CO2 is 0.6, the desorption rate of CH4 was 70.95%, the porosity and permeability of the coal were high, and considerable CO2 was sequestered to mitigate greenhouse gas emissions and provide economic and environmental benefits.

Document Type: Original article

Cited as: Pan, J., Jiao, F., Wang, K., Li, Y., Song, D., Hou, Q. Molecular simulations of the effects of CO2 and N2 injection on CH4 adsorption, coal porosity and permeability. Advances in Geo-Energy Research, 2024, 12(3): 205-222. https://doi.org/10.46690/ager.2024.06.05


Keywords


Molecular simulation, CO2 injection, N2 injection, CH4 adsorption, permeability

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References


Asif, M., Wang, L., Wang, R., et al. Mechanisms in CO2 enhanced coalbed methane recovery process. Advances in Geo-Energy Research, 2022, 6(6): 531-534.

Boral, P., Varma, A. K., Maity, S. Nitration of Jharia basin coals, India: A study of structural modifications by XRD and FTIR techniques. International Journal of Coal Science & Technology, 2021, 8: 1034-1053.

Chakravarty, S., Chakravarty, K., Mishra, V., et al. Characterization of chemical structure with relative density of three different ranks of coal from India. Natural Resources Research, 2020, 29(5): 3121-3136.

Chilingar, G. V., Main, R., Sinnokrot, A. Relationship between porosity, permeability, and surface areas of sediments. Journal of Sedimentary Research, 1963, 33(3): 759-765.

Dwivedi, A., Dwivedi, A., Kumar, A. Qualitative surface characterization of Indian permian coal using XPS and FTIR. International Journal of Coal Preparation and Utilization, 2023, 43(7): 1152-1163.

Feng, W., Li, Z., Gao, H., et al. Understanding the molecular structure of HSW coal at atomic level: A comprehensive characterization from combined experimental and computational study. Green Energy Environ, 2021, 6(1): 150-159.

Gao, C., Liu, D., Vandeginste, V., et al. Thermodynamic energy change and occurrence mechanism of multiple f luids in coal reservoirs. Energy, 2023, 283: 129089.

George, J. S., Barakat, M. A. The change in effective stress associated with shrinkage from gas desorption in coal. International Journal of Coal Geology, 2001, 45(2-3): 105-113.

Ghosh, A. K., Bandopadhyay, A. K. Formation of thermogenic gases with coalification: FTIR and DFT examination of vitrinite rich coals. International Journal of Coal Geology, 2020, 219: 103379.

Hajianzadeh, M., Mahmoudi, J., Sadeghzadeh, S. Molecular dynamics simulations of methane adsorption and displacement from graphenylene shale reservoir nanochannels. Scientific Reports, 2023, 13(1): 15765.

Hamza, A., Hussein, I. A., Al-Marri, M. J., et al. CO2 enhanced gas recovery and sequestration in depleted gas reservoirs: A review. Journal of Petroleum Science and Engineering, 2021, 196: 107685.

Hosking, L. J., Chen, M., Thomas, H. R. Numerical analysis of dual porosity coupled thermo-hydro-mechanical behaviour during CO2 sequestration in coal. International Journal of Rock Mechanics and Mining Sciences, 2020, 135: 104473.

Ibarra, J., Munoz, E., Moliner, R. FTIR study of the evolution of coal structure during the coalification process. Organic Geochemistry, 1996, 24(6-7): 725-735.

Iddphonce, R., Wang, J. Investigation of CO2 and CH4 competitive adsorption during enhanced shale gas production. Journal of Petroleum Science and Engineering, 2021, 205: 108802.

Isaka, B., Ranjith, P. G. Investigation of temperature-and pressure-dependent flow characteristics of supercritical carbon dioxide- induced fractures in harcourt granite: Application to CO2-based enhanced geothermal systems. International Journal of Heat and Mass Transfer, 2020, 158: 119931.

Jaiswal, Y., Pal, S. L., Jaiswal, H., et al. An investigation of changes in structural parameters and organic functional groups of inertinite rich lignite during acid treatment processes. Energy Sources, Part A: Recovery, Utilization, and Environmental Effects, 2021, in press, https://doi.org/10.1080/15567036.2021.1923867.

Jeong, S. R., Park, J. H., Lee, J. H., et al. Review of the adsorption equilibria of CO2, CH4, and their mixture on coals and shales at high pressures for enhanced CH4 recovery and CO2 sequestration. Fluid Phase Equilib, 2023, 564: 113591.

Jia, J., Wang, D., Li, B., et al. Molecular simulation study on the effect of coal metamorphism on the competitive adsorption of CO2/CH4 in binary system. Fuel, 2023, 335: 127046.

Kamble, A. D., Mendhe, V. A., Chavan, P. D., et al. Insights of mineral catalytic effects of high ash coal on carbon conversion in fluidized bed Co-gasification through FTIR, XRD, XRF and FE-SEM. Renewable Energy, 2022, 183: 729-751.

Kang, J., Zhu, J., Wang, Y., et al. Dynamical modeling of coupled heat and mass transfer process of coalbed methane desorption in porous coal matrix. International Journal of Heat and Mass Transfer, 2022, 183: 122212.

Karimi, M., Rodrigues, A. E., Silva, J. Designing a simple volumetric apparatus for measuring gas adsorption equilibria and kinetics of sorption. Application and validation for CO2, CH4 and N2 adsorption in binder-free beads of 4A zeolite. Chemical Engineering Journal, 2021, 425: 130538.

Li, B., Zhang, J., Ding, Z., et al. A dynamic evolution model of coal permeability during enhanced coalbed methane recovery by N2 injection: Experimental observations and numerical simulation. RSC Advances, 2021, 11(28): 17249-17258.

Li, J., Pan, J., Wang, X., et al. Potential effect of carbon dioxide injection on the functional groups of medium volatile bituminous coals analysed using in-situ diffuse reflectance Fourier-transform infrared spectroscopy. International Journal of Coal Geology, 2023, 265: 104169.

Li, S., Qin, Y., Tang, D., et al. A comprehensive review of deep coalbed methane and recent developments in China. International Journal of Coal Geology, 2023, 279: 104369.

Li, Z., Elsworth, D. Controls of CO2-N2 gas flood ratios on enhanced shale gas recovery and ultimate CO2 sequestration. Journal of Petroleum Science and Engineering, 2019, 179: 1037-1045.

Liao, Q., Zhou, J., Xian, X., et al. Competition adsorption of CO2/CH4 in shale: Implications for CO2 sequestration with enhanced gas recovery. Fuel, 2023, 339: 127400.

Liu, J., Chen, Z., Elsworth, D., et al. Interactions of multiple processes during cbm extraction: A critical review. International Journal of Coal Geology, 2011, 87(3-4): 175-189.

Liu, Y., Wilcox, J. Effects of surface heterogeneity on the adsorption of CO2 in microporous carbons. Environmental Science & Technology, 2012, 46(3): 1940-1947.

Long, H., Lin, H., Yan, M., et al. Molecular simulation of the competitive adsorption characteristics of CH4, CO2, N2, and multicomponent gases in coal. Powder Technology, 2021, 385: 348-356.

Lu, J., Wang, X., Li, H., et al. Molecular insights into the methane adsorption capacity of coal under microwave irradiation based on solid-state 13C-NMR and XPS. Fuel, 2023, 339: 127484.

Mabuza, M., Premlall, K., Daramola, M. O. Modelling and thermodynamic properties of pure CO2 and flue gas sorption data on south african coals using Langmuir, Freundlich, Temkin, and extended Langmuir isotherm models. International Journal of Coal Science & Technology, 2022, 9: 45.

Neyertz, S., Brown, D. Single-and mixed-gas sorption in large-scale molecular models of glassy bulk polymers. Competitive sorption of a binary CH4/N2 and a ternary CH4/N2/CO2 mixture in a polyimide membrane. Journal of Membrane Science, 2020, 614: 118478.

Omotilewa, O. J., Panja, P., Vega-Ortiz, C., et al. Evaluation of enhanced coalbed methane recovery and carbon dioxide sequestration potential in high volatile bituminous coal. Journal of Natural Gas Science and Engineering, 2021, 91: 103979.

Oudinot, A. Y., Koperna, G. J., Philip, Z. G., et al. CO2 injection performance in the Fruitland coal fairway, San Juan Basin: Results of a field pilot. SPE Journal, 2011, 16(4): 864-879.

Packham, R., Connell, L., Cinar, Y., et al. Observations from an enhanced gas recovery field trial for coal mine gas management. International Journal of Coal Geology, 2012, 100: 82-92.

Pan, J., Zhang, Z., Li, M., et al. Characteristics of multi-scale pore structure of coal and its influence on permeability. Natural Gas Industry B, 2019, 6(4): 357-365.

Phan, V., Quirico, E., Beck, P., et al. Infrared spectroscopy quantification of functional carbon groups in kerogens and coals: A calibration procedure. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021, 259: 119853.

Ping, A., Xia, W., Peng, Y., et al. Construction of bituminous coal vitrinite and inertinite molecular assisted by 13C NMR, FTIR and XPS. Journal of Molecular Structure, 2020, 1222: 128959.

Qadir, S., Gu, Y., Ali, S., et al. A thermally stable isoquinoline based ultra-microporous metal-organic framework for CH4 separation from coal mine methane. Chemical Engineering Journal, 2022, 428: 131136.

Rainone, F., D’Agostino, O., Erto, A., et al. Biogas upgrading by adsorption onto activated carbon and carbon molecular sieves: Experimental and modelling study in binary CO2/CH4 mixture. Journal of Environmental Chemical Engineering, 2021, 9(5): 106256.

Salmachi, A., Zeinijahromi, A., Algarni, M. S., et al. Experi mental study of the impact of CO2 injection on the pore structure of coal: A case study from the Bowen Basin, Australia. International Journal of Coal Geology, 2023, 275: 104314.

Sander, R., Connell, L. D., Camilleri, M., et al. CH4, CO2, N2 diffusion in Bowen Basin (Australia) coal: Relationship between sorption kinetics of coal core and crushed coal particles. Journal of Natural Gas Science and Engineering, 2020, 81: 103468.

Serafin, J., Kielbasa, K., Michalkiewicz, B. The new tailored nanoporous carbons from the common polypody (polypodium vulgare): The role of textural properties for enhanced CO2 adsorption. Chemical Engineering Journal, 2022, 429: 131751.

Shen, Z., Liu, Y., Lei, J., et al. Changes in the three-dimensional molecular structure of coal during methane adsorption induced swelling. Process Safety and Environmental Protection, 2023, 180: 56-66.

Skoczylas, N., Pajdak, A., Kudasik, M., et al. CH4 and CO2 sorption and diffusion carried out in various temperatures on hard coal samples of various degrees of coalification. Journal of Natural Gas Science and Engineering, 2020, 81: 103449.

Su, E., Liang, Y., Zou, Q., et al. Numerical analysis of permeability rebound and recovery during coalbed methane extraction: Implications for CO2 injection methods. Process Safety and Environmental Protection, 2021, 149: 93-104.

Talapatra, A. A study on the carbon dioxide injection into coal seam aiming at enhancing coal bed methane (ECBM) recovery. Journal of Petroleum Exploration and Production Technology, 2020, 10(5): 1965-1981.

Talapatra, A., Halder, S., Chowdhury, A. I. Enhancing coal bed methane recovery: Using injection of nitrogen and carbon dioxide mixture. Petroleum Science and Technology, 2021, 39(2): 49-62.

Thomas, H., Chen, M. Insights into carbon dioxide sequestration into coal seams through coupled gas flow-adsorption-deformation modelling. Journal of Rock Mechanics and Geotechnical Engineering, 2024, 16(1): 26-40.

Tursunov, O., Suleimenova, B., Kuspangaliyeva, B., et al. Characterization of tar generated from the mixture of municipal solid waste and coal pyrolysis at 800°C. Energy Reports, 2020, 6: 147-152.

Ursueguía, D., Díaz, E., Ordóñez, S. Metal-Organic Frameworks (MOFs) as methane adsorbents: From storage to diluted coal mining streams concentration. Science of The Total Environment, 2021, 790: 148211.

Wang, J., Tian, L., Li, G., et al. Construction of vitrinite molecular structures based on 13C NMR and FTIR analysis: Fundamental insight into coal thermoplastic properties. Fuel, 2021, 300: 120981.

Wang, K., Pan, J., Xu, R., et al. Macromolecular rearrangement caused by CO2 adsorption in coal. Fuel, 2023, 349: 128630.

Wang, K., Pan, J., Wang, E., et al. Potential impact of CO2 injection into coal matrix in molecular terms. Chemical Engineering Journal, 2020, 401: 126071.

Wang, Z., Fu, X., Pan, J., et al. Effect of N2/CO2 injection and alternate injection on volume swelling/shrinkage strain of coal. Energy, 2023, 275: 127377.

Wei, G., Wen, H., Deng, J., et al. Liquid CO2 injection to enhance coalbed methane recovery: An experiment and in-situ application test. Fuel, 2021, 284: 119043.

Wu, S., Deng, C., Wang, X. Molecular simulation of flue gas and CH4 competitive adsorption in dry and wet coal. Journal of Natural Gas Science and Engineering, 2019, 71: 102980.

Xu, F., Yan, X., Wang, F., et al. Development strategy and countermeasures of China’s CBM industry under the goal of “carbon peak and neutrality”. Journal of Earth Science, 2023, 34(4): 975-984.

Yang, H., Xiong, Y., Xie, Z., et al. Quantitative characterization of coal structure by high-resolution CP/MAS 13C solid-state NMR spectroscopy. Proceedings of the Combustion Institute, 2021, 38(3): 4161-4170.

Yasemi, S., Khalili, Y., Sanati, A., et al. Carbon capture and storage: Application in the oil and gas industry. Sustainability, 2023, 15(19): 14486.

Zhang, L., Ye, Z., Li, M., et al. The binary gas sorption in the bituminous coal of the Huaibei Coalfield in China. Adsorption Science & Technology, 2018, 36(9-10): 1612-1628.

Zhang, X., Lu, X., Xiao, M., et al. Molecular reaction dynamics simulation of pyrolysis mechanism of typical bituminous coal via ReaxFF. Journal of Fuel Chemistry and Technology, 2020, 48(9): 1035-1046.




DOI: https://doi.org/10.46690/ager.2024.06.05

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