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H2-quartz and cushion gas-quartz intermolecular interactions: implications for hydrogen geo-storage in sandstone reservoirs

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Abstract

Emissions of carbon dioxide (CO2) from fossil fuel usage continue to be an incredibly challenging problem to the attainment of CO2 free global economy; carbon Capture and Storage (CCS) and the substitution of fossil fuel with clean hydrogen have been identified as significant primary techniques of achieving net zero carbon emissions. However, predicting the number of gases trapped in the geological storage media effectively and safely is essential in attaining decarbonization objectives and the hydrogen economy. Successful underground storage of carbon dioxide and hydrogen depends on the wettability of the storage/cap rocks as well as the interfacial interaction between subsurface rocks, the injected gas, and the formation of brine. A key challenge in determining these factors through experimental studies is the presence of conflicting contact angle data and the difficulty of accurately replicating subsurface conditions in the laboratory. To address this issue, molecular dynamics simulations offer a microscopic approach to recreating subsurface conditions and resolving experimentally inconsistent results. Herein, we report the molecular dynamics simulation results for hydrogen (H2) and cushion gas (e.g., CO2 and N2) on quartz surfaces to understand the capillary and trapping of these gases in sandstone formations. The results of these three gasses were compared to one another. The simulation predictions showed that the intermolecular interactions at the CO2-quartz surface area are more substantial than at the N2 and H2-quartz interface, suggesting that the quartz surface is more CO2-wet than N2 and H2-wet under the same circumstances. In addition, it was found that CO2 has a substantially higher adsorption rate (∼ 65 Kcal/mol) than N2 (∼ 5 Kcal/mol) and H2 (∼ 0.5 Kcal/mol). This phenomenon can be explained by the fact that CO2 density is substantially larger than N2/H2 density at the same geo-storage conditions. As a result, CO2 could be the most favorable cushion gas during underground hydrogen storage (UHS) because a higher CO2 residual is expected compared to H2. However, due to the Van der Waal Interaction force with quartz, only a small amount of H2 can be withdrawn.

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References

  1. Aghaei, H., Al-Yaseri, A., Toorajipour, A., Shahsavani, B., Yekeen, N., Edlmann, K.: Host-rock and caprock wettability during hydrogen drainage: Implications of hydrogen subsurface storage. Fuel. 351, 129048 (2023)

    Article  CAS  Google Scholar 

  2. Sikiru, S., Soleimani, H., Yahya, N.: Application of ANN model in sandstone reservoir using electromagnetic parameters for predicting recovery factor, in Proceedings of the 6th International Conference on Fundamental and Applied Sciences: ICFAS 2020, : Springer, pp. 347–356. (2021)

  3. Ali, M., Jha, N.K., Pal, N., Keshavarz, A., Hoteit, H., Sarmadivaleh, M.: Recent advances in carbon dioxide geological storage, experimental procedures, influencing parameters, and future outlook. Earth Sci. Rev. 225, 103895 (2022)

    Article  CAS  Google Scholar 

  4. Xuan, Z., et al.: Pore structure evolution and damage creep model of shale subjected to freeze-thaw treatment, vol. 19, pp. 821–836, (2022)

  5. Pal, N., Zhang, X., Ali, M., Mandal, A., Hoteit, H.: Carbon dioxide thickening: A review of technological aspects, advances and challenges for oilfield application. Fuel. 315, 122947 (2022)

    Article  CAS  Google Scholar 

  6. Alanazi, A., et al.: Influence of organics and gas mixing on hydrogen/brine and methane/brine wettability using Jordanian oil shale rocks: Implications for hydrogen geological storage. J. Energy Storage. 62, 106865 (2023)

    Article  Google Scholar 

  7. Al-Yaseri, A., Al-Mukainah, H., Yekeen, N., Al-Qasim, A.S.: Experimental investigation of hydrogen-carbonate reactions via computerized tomography: Implications for underground hydrogen storage. Int. J. Hydrog. Energy. 48(9), 3583–3592 (2023)

    Article  CAS  Google Scholar 

  8. Abid, H.R., Yekeen, N., Al-Yaseri, A., Keshavarz, A., Iglauer, S.: The impact of humic acid on hydrogen adsorptive capacity of eagle ford shale: Implications for underground hydrogen storage. J. Energy Storage. 55, 105615 (2022)

    Article  Google Scholar 

  9. Ali, M., Yekeen, N., Pal, N., Keshavarz, A., Iglauer, S., Hoteit, H.: Influence of pressure, temperature and organic surface concentration on hydrogen wettability of caprock; implications for hydrogen geo-storage. Energy Rep. 7, 5988–5996 (2021)

    Article  Google Scholar 

  10. Ali, M., Yekeen, N., Pal, N., Keshavarz, A., Iglauer, S., Hoteit, H.J.E.R.: Influence of pressure, temperature and organic surface concentration on hydrogen wettability of caprock; implications for hydrogen geo-storage, 7, pp. 5988–5996, (2021)

  11. Wang, W., Liu, Q., Liu, Z.J.J.M.R., Technology: High-pressure study of hydrogen storage material ethylenediamine bisborane from first-principle calculations, 19, pp. 3474–3483, (2022)

  12. Punase, A., Zou, A.: and R. J. J. o. P. E. Elputranto, How do thermal recovery methods affect wettability alteration? vol. 2014. (2014)

  13. Al-Yaseri, A., Jha, N.K.: On hydrogen wettability of basaltic rock. J. Petrol. Sci. Eng. 200, 108387 (2021)

    Article  CAS  Google Scholar 

  14. Aslannezhad, M., et al.: A review of hydrogen/rock/brine interaction: Implications for Hydrogen Geo-storage. Prog. Energy Combust. Sci. 95, 101066 (2023)

    Article  Google Scholar 

  15. Hou, J., Lin, S., Zhang, M., Li, W.: Salinity, temperature and pressure effect on hydrogen wettability of carbonate rocks. Int. J. Hydrog. Energy, (2022)

  16. Hosseini, M., Ali, M., Fahimpour, J., Keshavarz, A., Iglauer, S.: Basalt-H2-brine wettability at geo-storage conditions: Implication for hydrogen storage in basaltic formations. J. Energy Storage. 52, 104745 (2022)

    Article  Google Scholar 

  17. Al-Yaseri, A., Wolff-Boenisch, D., Fauziah, C.A., Iglauer, S.: Hydrogen wettability of clays: Implications for underground hydrogen storage. Int. J. Hydrog. Energy. 46(69), 34356–34361 (2021)

    Article  CAS  Google Scholar 

  18. Al-Yaseri, A., Yekeen, N., Mahmoud, M., Kakati, A., Xie, Q., Giwelli, A.: Thermodynamic characterization of H2-brine-shale wettability: Implications for hydrogen storage at the subsurface. Int. J. Hydrog. Energy, (2022)

  19. Yekeen, N., et al.: Clay-hydrogen and clay-cushion gas interfacial tensions: Implications for hydrogen storage. Int. J. Hydrog. Energy. 47(44), 19155–19167 (2022)

    Article  CAS  Google Scholar 

  20. Ali, M., Yekeen, N., Pal, N., Keshavarz, A., Iglauer, S., Hoteit, H.: Influence of organic molecules on wetting characteristics of mica/H2/brine systems: Implications for hydrogen structural trapping capacities. J. Colloid Interface Sci. 608, 1739–1749 (2022)

    Article  CAS  PubMed  Google Scholar 

  21. Iglauer, S., Al-Yaseri, A.Z., Rezaee, R., Lebedev, M.J.G.R.L.: CO2 wettability of caprocks: Implications for structural storage capacity and containment security, vol. 42, no. 21, pp. 9279–9284, (2015)

  22. Arif, M., Al-Yaseri, A.Z., Barifcani, A., Lebedev, M.: S. J. J. o. c. Iglauer, and i. science, Impact of pressure and temperature on CO2–brine–mica contact angles and CO2–brine interfacial tension: Implications for carbon geo-sequestration, vol. 462, pp. 208–215, (2016)

  23. Al-Yaseri, A., Ali, M., Ali, M., Taheri, R.: D. J. J. o. c. Wolff-Boenisch, and i. science, Western Australia basalt-CO2-brine wettability at geo-storage conditions, vol. 603, pp. 165–171, (2021)

  24. Hou, J., Lin, S., Zhang, M., Li, W.: Salinity, temperature and pressure effect on hydrogen wettability of carbonate rocks. Int. J. Hydrog. Energy. 48(30), 11303–11311 (2023)

    Article  CAS  Google Scholar 

  25. Perera, M.: A review of underground hydrogen storage in depleted gas reservoirs: Insights into various rock-fluid interaction mechanisms and their impact on the process integrity. Fuel. 334, 126677 (2023)

    Article  CAS  Google Scholar 

  26. Al-Yaseri, A., et al.: Permeability evolution in sandstone due to CO2 injection, vol. 31, no. 11, pp. 12390–12398, (2017)

  27. Paterson, L.: The implications of fingering in underground hydrogen storage. Int. J. Hydrog. Energy. 8(1), 53–59 (1983)

    Article  CAS  Google Scholar 

  28. Perera, M.S.A.: A review of underground hydrogen storage in depleted gas reservoirs: Insights into various rock-fluid interaction mechanisms and their impact on the process integrity, Fuel, vol. 334, p. 126677, 2023/02/15/ 2023, https://doi.org/10.1016/j.fuel.2022.126677

  29. Yekta, A.E., Pichavant, M., Audigane, P.: Evaluation of geochemical reactivity of hydrogen in sandstone: Application to geological storage. Appl. Geochem., 95, pp. 182–194, 2018/08/01/ 2018, doi: https://doi.org/10.1016/j.apgeochem.2018.05.021

  30. Salmachi, A., et al.: Underground hydrogen storage: Integrated surface facilities and fluid flow modeling for depleted gas reservoirs. Int. J. Hydrog. Energy. 50, 1055–1069 (2024)

    Article  CAS  Google Scholar 

  31. Tarkowski, R., Uliasz-Misiak, B.: Towards underground hydrogen storage: A review of barriers. Renew. Sustain. Energy Rev. 162, 112451 (2022)

    Article  CAS  Google Scholar 

  32. Kanaani, M., Sedaee, B., Asadian-Pakfar, M.: Role of cushion gas on underground hydrogen storage in depleted oil reservoirs. J. Energy Storage. 45, 103783 (2022)

    Article  Google Scholar 

  33. Pan, B., Yin, X., Iglauer, S.: Rock-fluid interfacial tension at subsurface conditions: Implications for H2, CO2, and natural gas geo-storage. Int. J. Hydrog. Energy. 46(50), 25578–25585 (2021)

    Article  CAS  Google Scholar 

  34. Ali, M., et al.: Assessment of wettability and rock-fluid interfacial tension of caprock: Implications for hydrogen and carbon dioxide geo-storage. Int. J. Hydrog. Energy. 47(30), 14104–14120 (2022)

    Article  CAS  Google Scholar 

  35. Sikiru, S., Soleimani, H., Shafie, A., Kozlowski, G.: Simulation and experimental investigation of dielectric and magnetic nanofluids in reduction of oil viscosity in reservoir sandstone. J. Petrol. Sci. Eng. 209, 109828 (2022)

    Article  CAS  Google Scholar 

  36. Duan, H., Liu, W., Wang, X., Liu, W., Zhang, X.J.P.T.: Effect of secondary amino on the adsorption of N-Dodecylethylenediamine on quartz surface: A molecular dynamics study, 351, pp. 46–53, (2019)

  37. Surajudeen, S., Yahya, N., Soleimani, H., Musa, A.A., Afeez, Y., Rostami, A., EFFECT OF ADSORPTION ON SATURATED SANDSTONE WITHIN ELECTRIC DOUBLE LAYER ON SOLID/LIQUID INTER-PHASE:, Petroleum Coal, 61, 6, (2019)

  38. Afeez, Y., et al.: Investigation on nanoparticles effect on interfacial forces for enhanced oil recovery, 61, 5, pp. 1158–1165, (2019)

  39. Yusuff, A.O., Yahya, N., Zakariya, M.A.: S. J. J. o. P. S. Sikiru, and Engineering, Investigations of graphene impact on oil mobility and physicochemical interaction with sandstone surface, vol. 198, p. 108250, (2021)

  40. Perdew, J.P., Burke, K.: P. r. l. ernzerhof. Generalized Gradient Approximation made Simple vol. 77(18), 3865 (1996)

    CAS  Google Scholar 

  41. S. J. T. J. o. c. p. Nosé, A unified formulation of the constant temperature molecular dynamics methods, vol. 81, no. 1, pp. 511–519, (1984)

  42. Nosé, S.J.M.: A molecular dynamics method for simulations in the canonical ensemble, vol. 52, no. 2, pp. 255–268, (1984)

  43. Yahya, N., Ali, A.M., Wahaab, F.A., o., S.J.J., Sikiru, M.R., Technology: Spectroscopic Anal. Adsorpt. carbon-based Nanopart. Reserv. Sandstones vol. 9(3), 4326–4339 (2020)

    CAS  Google Scholar 

  44. Sikiru, S., Yahya, N.: H. J. J. o. m. r. Soleimani, and technology, Photon–phonon interaction of surface ionic adsorption within the electric double layer in reservoir sandstone, vol. 9, no. 5, pp. 10957–10969, (2020)

  45. Peng, Q., et al.: Investigation of hydrogen adsorption sites in ferrocene-based hypercrosslinked polymers by DFT calculations, 24, pp. 7189–7197, (2023)

  46. Yang, L., Zhou, X., Zhang, K., Zeng, F., Wang, Z.J.R.A.: Investigation of dynamical properties of methane in slit-like quartz pores using molecular simulation, 8, 59, pp. 33798–33816, (2018)

  47. Mohammed, S., Gadikota, G.J.A.S.S.: Dynamic wettability alteration of calcite, silica, and illite surfaces in subsurface environments: A case study of asphaltene self-assembly at solid interfaces, 505, p. 144516, (2020)

  48. Brunauer, S., Emmett, P.H.: and E. J. J. o. t. A. c. s. Teller, Adsorption of gases in multimolecular layers, vol. 60, no. 2, pp. 309–319, (1938)

  49. Sellés-Pérez, M.J., Martín-Martínez, J.M.: Faraday Transactions, Application of α and n plots to N 2 adsorption isotherms of activated carbons, vol. 87, no. 8, pp. 1237–1243, (1991)

  50. Al-Yaseri, A.Z., Lebedev, M., Barifcani, A.: and S. J. T. J. o. C. T. Iglauer, Receding and advancing (CO2 + brine + quartz) contact angles as a function of pressure, temperature, surface roughness, salt type, and salinity, vol. 93, pp. 416–423, (2016)

  51. Sikiru, S., Yahya, N., Soleimani, H., Ali, A.M., Afeez, Y.: Impact of ionic-electromagnetic field interaction on Maxwell-Wagner polarization in porous medium. J. Mol. Liq. 318, 114039 (2020)

    Article  CAS  Google Scholar 

  52. Ta, X., Wan, Z., Zhang, Y., Qin, S.: J. J. J. o. M. R. Zhou, and Technology, Effect of carbonation and foam content on CO2 foamed concrete behavior, vol. 23, pp. 6014–6022, (2023)

  53. Aliu, O., Sakidin, H., Foroozesh, J., Sikiru, S.: Determination of CO2 diffusivity in subsurface systems using molecular dynamics simulation, in AIP Conference Proceedings, vol. 2266, no. 1: AIP Publishing LLC, p. 050014. (2020)

  54. Al-Yaseri, A., Esteban, L., Giwelli, A., Sarout, J., Lebedev, M.: and M. J. I. J. o. H. E. Sarmadivaleh, Initial and residual trapping of hydrogen and nitrogen in Fontainebleau sandstone using nuclear magnetic resonance core flooding, vol. 47, no. 53, pp. 22482–22494, (2022)

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Acknowledgements

The authors express their appreciation to the PETRONAS research fund (PRF) under PETRONAS Teknologi Transfer (PTT) Pre-Commercialization - External: YUTP-PRG Cycle 2022 (015PBC-020) and the School of Physics and Materials Studies Faculty of Applied Sciences Universiti Teknologi Mara (UiTM), for the good research environment.

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Authors and Affiliations

  1. School of Physics and Materials studies, Faculty of Applied Sciences, Universiti Teknologi Mara, (UiTM), Shah Alam, Selangor, 40450, Malaysia

    Surajudeen Sikiru & Bonnia N. N

  2. Center of Integrative Petroleum Research (CIPR), College of Petroleum Engineering and Geoscience, King Fahd University of Petroleum and Minerals, Dhahran, 31261, Saudi Arabia

    Ahmed Al-Yaseri

  3. School of Engineering, Edith Cowan University, Joondalup, WA, 6027, Australia

    Nurudeen Yekeen

  4. Department of Geoscience, Universiti Teknologi PETRONAS, 32610 Seri Iskandar Perak, Perak, Malaysia

    Hassan Soleimani

  5. School of Chemistry and Environment, Faculty of Applied Sciences, Universiti Teknologi Mara, Shah Alam, Selangor, 40450, Malaysia

    Mohammed Falalu Hamza

  6. Materials Engineering Department, Faculty of Engineering, Malayer University, Malayer, Iran

    Mohammad Yeganeh Ghotbi

  7. Institute of Power Engineering, Universiti Tenaga Nasional, Kajang, Selangor, 43300, Malaysia

    Mohammad Yeganeh Ghotbi

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Hereby, I Surajudeen Sikiru, Ahmed Al-Yaseri, Nurudeen Yekeen, Hassan Soleimani, Bonnia N.N, Mohammed Falalu Hamza, Mohammad Yeganeh Ghotbi consciously assures that for the manuscript H2-Quartz and Cushion Gas-Quartz Intermolecular Interactions: Implications for Hydrogen Geo-Storage in Sandstone Reservoirs the following is fulfilled: This material is the author’s original work, which has not been previously published elsewhere. The paper is not currently being considered for publication elsewhere. The paper reflects the author’s research and analysis truthfully and completely. The paper properly credits the meaningful contributions of co-authors and co-researchers. The results are appropriately placed in the context of prior and existing research. All authors have been personally and actively involved in substantial work leading to the paper and will take public responsibility for its content.

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Sikiru, S., Al-Yaseri, A., Yekeen, N. et al. H2-quartz and cushion gas-quartz intermolecular interactions: implications for hydrogen geo-storage in sandstone reservoirs. Adsorption (2024). https://doi.org/10.1007/s10450-024-00450-1

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