Effects of impurity gases on interfaces of the hydrogen-water-decane three-phase system: A square gradient theory investigation
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Abstract
The effects of impurity gases on interfacial characteristics of hydrogen-water-oil three-phase systems are critical to underground H2 storage in depleted oil fields but have not been investigated yet. The square gradient theory calculations with Perturbed-chain statistical associating fluid theory equation of state are carried out to understand the effects of impurity gases (N2, CH4, and CO2) on interfaces of the H2-H2O-n-decane three-phase system under reservoir conditions. Our results obtained from the four-component three-phase systems are compared to the corresponding system without impurity gases. It is found that the all three interfaces (H2-H2O, H2O-C10H22, and H2-C10H22) are greatly influenced by impurity gases. The impurity gases accumulate in all three interfacial regions and have positive surface excesses, which leads to smaller interfacial tensions. The reduction of interfacial tensions depends on the type of impurity gas following this order: CO2 ≥ CH4 > N2. In general, the adsorption of impurity gases weakens the adsorption of other species. However, the adsorption of decane in the H2-H2O interface can be enhanced by impurity gases, which also contributes to the decrease of interfacial tensions. Moreover, the spreading coefficients are mostly negative over the studied temperature and pressure conditions indicating the existence of three-phase contact in the N2/CH4/CO2-hydrogenwater- oil three-phase systems.
Document Type: Original article
Cited as: Yang, Y., Wan, J., Li, J., Zhu, W., Zhao, G., Shang, X. Effects of impurity gases on interfaces of the hydrogen-water-decane three-phase system: A square gradient theory investigation. Capillarity, 2023, 9(1): 9-24. https://doi.org/10.46690/capi.2023.10.02
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References
Abas, N., Kalair, A., Khan, N. Review of fossil fuels and future energy technologies. Futures, 2015, 69: 31-49.
Alanazi, A., Ali, M., Bawazeer, S., et al. Evaluation of cubic, PC-SAFT, and GERG2008 equations of state for accurate calculations of thermophysical properties of hydrogenblend mixtures. Energy Reports, 2022, 8: 13876-13899.
Alanazi, A., Yekeen, N., Ali, M., 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. Journal of Energy Storage, 2023, 62: 106865.
Amin, R., Smith, T. N. Interfacial tension and spreading coefficient under reservoir conditions. Fluid Phase Equilibria, 1998, 142(1-2): 231-241.
Ayirala, S. C., Xu, W., Rao, D. N. Interfacial behaviour of complex hydrocarbon fluids at elevated pressures and temperatures. The Canadian Journal of Chemical Engineering, 2006, 84(1): 22-32.
Bachu, S. CO2 storage in geological media: Role, means, status and barriers to deployment. Progress in Energy and Combustion Science, 2008, 34(2): 254-273.
Bahramian, A., Danesh, A., Gozalpour, F., et al. Vapour-liquid interfacial tension of water and hydrocarbon mixture at high pressure and high temperature conditions. Fluid Phase Equilibria, 2007, 252(1-2): 66-73.
Becker, S., Werth, S., Horsch, M., et al. Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory. Fluid Phase Equilibria, 2016, 427: 476-487.
Bertrand, E., Bonn, D., Meunier, J., et al. Wetting of alkanes on water. Physical Review Letters, 2001, 86(14): 3208.
Bonn, D., Eggers, J., Indekeu, J., et al. Wetting and spreading. Reviews of Modern Physics, 2009, 81(2): 739.
Chapoy, A., Mohammadi, A. H., Tohidi, B., et al. Gas solubility measurement and modeling for the nitrogen+ water system from 274.18 K to 363.02 K. Journal of Chemical & Engineering Data, 2004, 49(4): 1110-1115.
Choudhary, N., Narayanan Nair, A. K., Che Ruslan, M. F. A., et al. Bulk and interfacial properties of decane in the presence of carbon dioxide, methane, and their mixture. Scientific Reports, 2019, 9(1): 19784.
Chow, Y. F., Maitland, G. C., Trusler, J. M. Interfacial tensions of the (CO2+ N2+ H2O) system at temperatures of (298 to 448) K and pressures up to 40 MPa. The Journal of Chemical Thermodynamics, 2016, 93: 392-403.
Chow, Y. F., Maitland, G. C., Trusler, J. M. Interfacial tensions of (H2O+ H2) and (H2O+ CO2+ H2) systems at temperatures of (298-448) K and pressures up to 45 MPa. Fluid Phase Equilibria, 2018, 475: 37-44.
Chow, Y. F., Maitland, G. C., Trusler, J. M. Erratum to “Interfacial tensions of (H2O+ H2) and (H2O+ CO2+ H2) systems at temperatures of (298 to 448) K and pressures up to 45 MPa”[Fluid Phase Equil. 475 (2018) 37-44]., 2020, 503: 112315.
Cornelisse, P., Peters, C., de Swaan Arons, J. Application of the Peng-Robinson equation of state to calculate interfacial tensions and profiles at vapour-liquid interfaces. Fluid Phase Equilibria, 1993, 82: 119-129.
Davis, H. T. Statistical Mechanics of Phases, Interfaces, and Thin Films. Weinheim, Germany, Wiley-VCH, 1996.
Davis, H. T., Scriven, L. Stress and structure in fluid interfaces. Advances in Chemical Physics, 1982, 49: 357-454.
Diamantonis, N. I., Economou, I. G. Evaluation of statistical associating fluid theory (SAFT) and perturbed chain-SAFT equations of state for the calculation of thermodynamic derivative properties of fluids related to carbon capture and sequestration. Energy & Fuels, 2011, 25(7): 3334-3343.
Doan, Q. T., Keshavarz, A., Miranda, C. R., et al. Molecular dynamics simulation of interfacial tension of the CO2-CH4-water and H2-CH4-water systems at the temperature of 300 K and 323 K and pressure up to 70 MPa. Journal of Energy Storage, 2023, 66: 107470.
Florusse, L., Peters, C., Pàmies, J., et al. Solubility of hydrogen in heavy n-alkanes: Experiments and saft modeling. AIChE Journal, 2003, 49(12): 3260-3269
Gbadamosi, A. O., Muhammed, N. S., Patil, S., et al. Underground hydrogen storage: A critical assessment of fluid-fluid and fluid-rock interactions. Journal of Energy Storage, 2023, 72: 108473.
Georgiadis, A., Llovell, F., Bismarck, A., et al. Interfacial tension measurements and modelling of (carbon dioxide+ n-alkane) and (carbon dioxide+ water) binary mixtures at elevated pressures and temperatures. The Journal of Supercritical Fluids, 2010, 55(2): 743-754.
Georgiadis, A., Maitland, G., Trusler, J. M., et al. Interfacial tension measurements of the (H2O+ n-decane+ CO2) ternary system at elevated pressures and temperatures. Journal of Chemical & Engineering Data, 2011, 56(12): 4900-4908.
Gross, J., Sadowski, G. Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules. Industrial & Engineering Chemistry Research, 2001, 40(4): 1244-1260.
Gross, J., Sadowski, G. Application of the perturbed-chain SAFT equation of state to associating systems. Industrial & Engineering Chemistry Research, 2002, 41(22): 5510-5515.
Harkins, W. D., Feldman, A. Films. The spreading of liquids and the spreading coefficient. Journal of the American Chemical Society, 1922, 44(12): 2665-2685.
Heinemann, N., Wilkinson, M., Adie, K., et al. Cushion gas in hydrogen storage-a costly CAPEX or a valuable resource for energy crises? Hydrogen, 2022, 3(4): 550-563.
Hemmati-Sarapardeh, A., Ayatollahi, S., Zolghadr, A., et al. Experimental determination of equilibrium interfacial tension for nitrogen-crude oil during the gas injection process: The role of temperature, pressure, and composition. Journal of Chemical & Engineering Data, 2014, 59(11): 3461-3469.
Hosseini, M., Fahimpour, J., Ali, M., et al. Capillary sealing efficiency analysis of caprocks: Implication for hydrogen geological storage. Energy & Fuels, 2022, 36(7): 4065-4075.
Isfehani, Z. D., Sheidaie, A., Hosseini, M., et al. Interfacial tensions of (brine+ H2+ CO2) systems at gas geo-storage conditions. Journal of Molecular Liquids, 2023, 374: 121279.
Jennings Jr, H. Y., Newman, G. H. The effect of temperature and pressure on the interfacial tension of water against methane-normal decane mixtures. Society of Petroleum Engineers Journal, 1971, 11(2): 171-175.
Kanaani, M., Sedaee, B., Asadian Pakfar, M. Role of cushion gas on underground hydrogen storage in depleted oil reservoirs. Journal of Energy Storage, 2022, 45: 103783.
Karkevandi-Talkhooncheh, A., Rostami, A., Hemmati-Sarapardeh, A., et al. Modeling minimum miscibility pressure during pure and impure CO2 flooding using hybrid of radial basis function neural network and evolutionary techniques. Fuel, 2018, 220: 270-282.
Kashefi, K., Pereira, L. M., Chapoy, A., et al. Measurement and modelling of interfacial tension in methane/water and methane/brine systems at reservoir conditions. Fluid Phase Equilibria, 2016, 409: 301-311.
Lazarus, M., van Asselt, H. Fossil fuel supply and climate policy: Exploring the road less taken. Climatic Change, 2018, 150(1-2): 1-13.
Li, W., Jin, Z. Molecular dynamics simulations of natural gas-water interfacial tensions over wide range of pressures. Fuel, 2019, 236: 480-492.
Linstrom, P. J., Mallard, W. G. The NIST Chemistry Web- Book: A chemical data resource on the internet. Journal of Chemical & Engineering Data, 2001, 46(5): 1059-1063.
Liu, J., Wang, S., Javadpour, F., et al. Hydrogen diffusion in clay slit: Implications for the geological storage. Energy & Fuels, 2022, 36(14): 7651-7660.
Luboń, K., Tarkowski, R. Influence of capillary threshold pressure and injection well location on the dynamic CO2 and H2 storage capacity for the deep geological structure. International Journal of Hydrogen Energy, 2021, 46(58): 30048-30060.
Mairhofer, J., Gross, J. Modeling properties of the one-dimensional vapor-liquid interface: Application of classical density functional and density gradient theory. Fluid Phase Equilibria, 2018, 458: 243-252.
Makimura, D., Kunieda, M., Liang, Y., et al. Application of molecular simulations to CO2-enhanced oil recovery: phase equilibria and interfacial phenomena. SPE Journal, 2013, 18(2): 319-330.
Miqueu, C., Miguez, J. M., Pineiro, M. M., et al. Simultaneous application of the gradient theory and Monte Carlo molecular simulation for the investigation of methane/water interfacial properties. The Journal of Physical Chemistry B, 2011, 115(31): 9618-9625.
Mirchi, V., Dejam, M., Alvarado, V. Interfacial tension and contact angle measurements for hydrogen-methane mixtures/brine/oil-wet rocks at reservoir conditions. International Journal of Hydrogen Energy, 2022, 47(82): 34963-34975.
Muhammed, N. S., Haq, B., Al Shehri, D. A. Hydrogen storage in depleted gas reservoirs using nitrogen cushion gas: A contact angle and surface tension study. International Journal of Hydrogen Energy, 2023, in press, https://doi.org/10.1016/j.ijhydene.2023.06.208.
Niaz, S., Manzoor, T., Pandith, A. H. Hydrogen storage: Materials, methods and perspectives. Renewable and Sustainable Energy Reviews, 2015, 50: 457-469.
Pan, H., Connolly, M., Tchelepi, H. Multiphase equilibrium calculation framework for compositional simulation of CO2 injection in low-temperature reservoirs. Industrial & Engineering Chemistry Research, 2019, 58(5): 2052-2070.
Pan, Z., Trusler, J. M. Experimental and modelling study of the interfacial tension of (n-decane+ carbon dioxide+ water) in the three phase region. Fluid Phase Equilibria, 2023a, 568: 113760.
Pan, Z., Trusler, J. M. Measurement and modelling of the interfacial tensions of CO2+ decane-iododecane mixtures at high pressures and temperatures. Fluid Phase Equilibria, 2023b, 566: 113700.
Pan, B., Yin, X., Ju, Y., et al. Underground hydrogen storage: Influencing parameters and future outlook. Advances in Colloid and Interface Science, 2021, 294: 102473.
Peng, F., Wang, R., Guo, Z., et al. Molecular dynamics simulation to estimate minimum miscibility pressure for oil with pure and impure CO2. Journal of Physics Communications, 2018, 2(11): 115028.
Pereira, L. M. C., Chapoy, A., Tohidi, B., et al. Vapor-liquid and liquid-liquid interfacial tension of water and hydrocarbon systems at representative reservoir conditions: Experimental and modelling results. Paper SPE 170670 Presented at SPE Annual Technical Conference and Exhibition, Amsterdam, The Netherlands, 27-29 October 2014.
Pereira, L. M. Interfacial tension of reservoir fluids: An integrated experimental and modelling investigation. Edinburgh, Heriot-Watt University, 2016a.
Pereira, L. M., Chapoy, A., Burgass, R., et al. Study of the impact of high temperatures and pressures on the equilibrium densities and interfacial tension of the carbon dioxide/water system. The Journal of Chemical Thermodynamics, 2016b, 93: 404-415.
Pereira, L. M., Chapoy, A., Burgass, R., et al. Measurement and modelling of high pressure density and interfacial tension of (gas+ n-alkane) binary mixtures. The Journal of Chemical Thermodynamics, 2016c, 97: 55-69.
Plaat, H. Underground Gas Storage: Why and How. Geological Society, London, Special Publications, 2009, 313: 25-37.
Rachford, H. H., Rice, J. Procedure for use of electronic digital computers in calculating flash vaporization hydrocarbon equilibrium. Journal of Petroleum Technology, 1952, 4(10): 19.
Radke, C. Gibbs adsorption equation for planar fluid-fluid interfaces: Invariant formalism. Advances in Colloid and Interface Science, 2015, 222: 600-614.
Rao, D. N., Lee, J. I. Determination of gas-oil miscibility conditions by interfacial tension measurements. Journal of Colloid and Interface Science, 2003, 262(2): 474-482.
Sachs, W., Meyn, V. Pressure and temperature dependence of the surface tension in the system natural gas/water principles of investigation and the first precise experimental data for pure methane/water at 25◦C up to 46.8 MPa. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 1995, 94(2-3): 291-301.
Schleussner, C. F., Rogelj, J., Schaeffer, M., et al. Science and policy characteristics of the Paris Agreement temperature goal. Nature Climate Change, 2016, 6(9): 827-835.
Shafiee, S., Topal, E. When will fossil fuel reserves be diminished? Energy Policy, 2009, 37(1): 181-189. Shaw, D. J. Introduction to Colloid and Surface Chemistry. Amsterdam, Netherlands, Elsevier, 1992.
Stegemeier, G., Pennington, B., Brauer, E., et al. Interfacial tension of the methane-normal decane system. Society of Petroleum Engineers Journal, 1962, 2(3): 257-260.
Stephan, S., Cárdenas, H., Mejía, A., et al. The monotonicity behavior of density profiles at vapor-liquid interfaces of mixtures. Fluid Phase Equilibria, 2023, 564: 113596.
Stephan, S., Hasse, H. Enrichment at vapour-liquid interfaces of mixtures: Establishing a link between nanoscopic and macroscopic properties. International Reviews in Physical Chemistry, 2020, 39(3): 319-349.
Tarkowski, R. Underground hydrogen storage: Characteristics and prospects. Renewable and Sustainable Energy Reviews, 2019, 105: 86-94.
Telo da Gama, M., Evans, R. The structure and surface tension of the liquid-vapour interface near the upper critical end point of a binary mixture of Lennard-Jones fluids: I. The two phase region. Molecular Physics, 1983, 48(2): 229-250.
Tsivintzelis, I., Kontogeorgis, G. M., Michelsen, M. L., et al. Modeling phase equilibria for acid gas mixtures using the CPA equation of state. Part II: Binary mixtures with CO2. Fluid Phase Equilibria, 2011, 306(1): 38-56.
Wadewitz, T., Winkelmann, J. Density functional theory: Structure and interfacial properties of binary mixtures. Berichte der Bunsengesellschaft für physikalische Chemie, 1996, 100(11): 1825-1832.
Wiegand, G., Franck, E. Interfacial tension between water and non-polar fluids up to 473 K and 2800 bar. Berichte der Bunsengesellschaft für physikalische Chemie, 1994, 98(6): 809-817.
Yang, Y., Che Ruslan, M. F. A., Sun, S. Study of interfacial properties of water+ methane+ oil three-phase systems by a simple molecular simulation protocol. Journal of Molecular Liquids, 2022, 356: 118951.
Yang, Y., Che Ruslan, M. F. A., Zhu, W., et al. Interfacial behaviors of the H2O+ CO2+ CH4+ C10H22 system in three phase equilibrium: A combined molecular dynamics simulation and density gradient theory investigation. Journal of Molecular Liquids, 2023a, 370: 121031.
Yang, Y., Narayanan Nair, A. K., Che Ruslan, M. F. A., et al. Bulk and interfacial properties of the decane+ water system in the presence of methane, carbon dioxide, and their mixture. The Journal of Physical Chemistry B, 2020, 124(43): 9556-9569.
Yang, Y., Narayanan Nair, A. K., Zhu, W., et al. Molecular perspectives of interfacial properties of the hydrogen+ water mixture in contact with silica or kerogen. Journal of Molecular Liquids, 2023b, 385: 122337.
Yang, Y., Wan, J., Li, J., et al. Molecular modeling of interfacial properties of the hydrogen+ water+ decane mixture in three-phase equilibrium. ArXiv preprint, 2023c, 2307: 15356.
Yellig, W., Metcalfe, R. Determination and prediction of CO2 minimum miscibility pressures. Journal of Petroleum Technology, 1980, 32(1): 160-168.
Zivar, D., Kumar, S., Foroozesh, J. Underground hydrogen storage: A comprehensive review. International Journal of Hydrogen Energy, 2021, 46(45): 23436-23462.
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