Molecular dynamics simulations of oil recovery from dolomite slit nanopores enhanced by CO2 and N2 injection

Huiying Guo, Ziqiang Wang, Bei Wang, Yuankai Zhang, Haojin Meng, Hongguang Sui

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Abstract


Shale oil reservoirs are dominated by micro-and nanopores, which greatly impede the oil recovery rates. CO2 and N2 injection have proven to be highly effective approaches to enhance oil recovery from low-permeability shale reservoirs, and also represent great potential for CO2 sequestration. Therefore, a better understanding of the mechanism of shale oil recovery enhanced by CO2 and N2 is of great importance to achieve maximum shale oil productivity. In this paper, the adsorption behavior of shale oil and the mechanism of enhancing shale oil recovery by CO2 and N2 flooding in dolomite slit pores are investigated by performing nonequilibrium molecular dynamics simulations. Considering the shale oil adsorption behavior, mass density distribution is analyzed and the results indicate that a symmetric density distribution of the oil regarding the center in the slit pore along the x-axis can be obtained. The maximum density of the adsorbed layer nearest to the slit wall is 1.310 g/cm3 for C8H18 , which is about 2.0 times of that for bulk oil density in the middle area of slit pore. The interaction energy and radial distribution functions (between oil and CO2 , and between oil and N2 ) are calculated to display the displacement behavior of CO2 and N2 flooding. It is found that CO2 and N2 play different roles: CO2 has strong solubility, diffusivity and a higher interaction energy with dolomite wall, and the oil displacement efficiency of CO2 reaches 100% after 1 ns of flooding; however, during N2 flooding, the oil displacement efficiency is 87.3% after 4 ns of flooding due to the lower interaction energy between N2 and dolomite and that between N2 and oil.

Cited as: Guo, H., Wang, Z., Wang, B., Zhang, Y., Meng, H., Sui, H. Molecular dynamics simulations of oil recovery from dolomite slit nanopores enhanced by CO2 and N2 injection. Advances in Geo-Energy Research, 2022, 6(4): 306-313. https://doi.org/10.46690/ager.2022.04.05


Keywords


Molecular dynamics simulations, CO2 and N2 flooding, shale oil, interaction energy

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Aminian, A., ZareNezhad, B. Molecular dynamics simulations study on the shear viscosity, density, and equilibrium interfacial tensions of CO2 + brines and brines + CO2 + n-decane systems. The Journal of Physical Chemistry B, 2021, 125(10): 2707-2718.

Anovitz, L. M., Cole, D. R. Characterization and analysis of porosity and pore structures. Reviews in Mineralogy and Geochemistry, 2015, 80(1): 61-164.

Berninger, U., Saldi, G. D., Jordan, G., et al. Assessing dolomite surface reactivity at temperatures from 40 to 120 °C by hydrothermal atomic force microscopy. Geochimica et Cosmochimica Acta, 2017, 199: 130-142.

Cai, J., Wood, D. A., Hajibeygi, H., et al. Multiscale and multiphysics influences on fluids in unconventional reservoirs: Modeling and simulation. Advances in Geo-Energy Research, 2022, 6(2): 91-94.

Christenson, H. K., Gruen, D. W. R., Horn, R. G., et al. Structuring in liquid alkanes between solid surfaces: Force measurements and meanfield theory. The Journal of Chemical Physics, 1987, 87(3): 1834-1841.

Curtis, M. E., Ambrose, R. J., Sondergeld, C. H. Structural characterization of gas shales on the micro-and nano-scales, Paper SPE 137693 Presented at Canadian Unconventional Resources and International Petroleum Conference, Calgary, Alberta, Canada, 19-21 October, 2010.

de Almeida, J. M., Miranda, C. R. Improved oil recovery in nanopores: NanoIOR. Scientific Reports, 2016, 6: 28128.

Eberle, A. P. R., King, H. E., Ravikovitch, P. I., et al. Direct measure of the dense methane phase in gas shale organic porosity by neutron scattering. Energy & Fuels, 2016, 30(11): 9022-9027.

Fang, T., Li, S., Zhang, Y., et al. How the oil recovery in deep oil reservoirs is affected by injected gas types: A molecular dynamics simulation study. Chemical Engineering Science, 2021, 231: 116286.

Fang, T., Wang, M., Li, J., et al. Study on the asphaltene precipitation in CO2 flooding: A perspective from molecular dynamics simulation. Industrial & Engineering Chemistry Research, 2018, 57(3): 1071-1077.

Fernandes, H. S., Sousa, S. F., Cerqueira, N., VMD store-a VMD plugin to browse, discover, and install VMD extensions. Journal of Chemical Information and Modeling, 2019, 59(11): 4519-4523.

Gu, X., Cole, D. R., Rother, G., et al. Pores in marcellus shale: A neutron scattering and FIB-SEM study. Energy & Fuels, 2015, 29(3): 1295-1308.

Haagh, M. E. J., Schilderink, N., Duits, M. H. G., et al. Salinity-dependent contact angle alteration in oil/brine/silicate systems: The effect of temperature. Journal of Petroleum Science and Engineering, 2018, 165: 1040-1048.

Han, J., Lee, M., Lee, W., et al. Effect of gravity segregation on CO2 sequestration and oil production during CO2 flooding. Applied Energy, 2016, 161: 85-91.

Hockney, R., Goel, S., Eastwood, J. Quiet high-resolution computer models of a plasma. Journal of Computational Physics, 1974, 14(2): 148-158.

Hughes, J. D. Energy: A reality check on the shale revolution. Nature, 2013, 494(7437): 307-308.

Li, X., Xue, Q., Zhu, L., et al. How to select an optimal surfactant molecule to speed up the oil-detachment from solid surface: A computational simulation. Chemical Engineering Science, 2016, 147: 47-53.

Martyna, G. J., Tobias, D. J., Klein, M. L. Constant pressure molecular dynamics algorithms. The Journal of Chemical Physics, 1994, 101(5): 4177-4189.

Mejía, A., Cartes, M., Segura, H., et al. Use of equations of state and coarse grained simulations to complement experiments: Describing the interfacial properties of carbon dioxide + decane and carbon dioxide + eicosane mixtures. Journal of Chemical & Engineering Data, 2014, 59(10): 2928-2941.

Mogensen, K., Xu, S. Comparison of three miscible injectants for a high-temperature, volatile oil reservoir -With particular emphasis on nitrogen injection. Journal of Petroleum Science and Engineering, 2020, 195: 107616.

Mohammed, S., Gadikota, G., CO2 -Induced displacement and diffusive transport of shale geofluids in silica nanopores of varying sizes. Journal of CO2 Utilization, 2019, 32: 37-45.

Panja, P., Pathak, M., Deo, M. Productions of volatile oil and gas-condensate from liquid rich shales. Advances in Geo-Energy Research, 2019, 3(1): 29-42.

Plimpton, S. Fast parallel algorithms for short-range molec-ular dynamics. Journal of Computational Physics, 1995, 117(1): 1-19.

Potoff, J. J., Siepmann, J. I. Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen. AIChE Journal, 2001, 47(7): 1676-1682.

Seyyedsar, S. M., Sohrabi, M. Intermittent CO2 and viscosity-reducing gas (VRG) injection for enhanced heavy oil recovery. Fuel Processing Technology, 2017, 164: 1-12.

Singh, H. Impact of four different CO2 injection schemes on extent of reservoir pressure and saturation. Advances in Geo-Energy Research, 2018, 2(3): 305-318.

Siregar, S., Hidayaturobbi, A., Wijaya, B., et al. Laboratory experiments on enhanced oil recovery with nitrogen injection. Journal of Engineering and Technological Sciences, 2007, 39(1): 20-27.

Sui, H., Yao, J. Effect of surface chemistry for CH4 /CO2 adsorption in kerogen: A molecular simulation study. Journal of Natural Gas Science and Engineering, 2016, 31: 738-746.

Sui, H., Zhang, F., Wang, Z., et al. Molecular simulations of oil adsorption and transport behavior in inorganic shale. Journal of Molecular Liquids, 2020, 305: 112745.

Sun, H. COMPASS: An ab initio force-field optimized for condensed-phase applications overview with details on alkane and benzene compounds. The Journal of Physical Chemistry B, 1998, 102(38): 7338-7364.

Sun, H., Jin, Z., Yang, C., et al. COMPASS II: Extended coverage for polymer and drug-like molecule databases. Journal of Molecular Modeling, 2016, 22(2): 47.

Tovar, F. D., Barrufet, M. A., Schechter, D. S. Enhanced oil recovery in the wolfcamp shale by carbon dioxide or nitrogen injection: An experimental investigation. SPE Journal, 2020, 26(1): 515-537.

Tutolo, B. M., Luhmann, A. J., Kong, X. Z., et al. Experimental observation of permeability changes in dolomite at CO2 sequestration conditions. Environmental Science & Technology, 2014, 48(4): 2445-2452.

Wang, S., Feng, Q., Javadpour, F., et al. Oil adsorption in shale nanopores and its effect on recoverable oil-in-place. International Journal of Coal Geology, 2015, 147–148: 9-24.

Wang, S., Javadpour, F., Feng, Q. Molecular dynamics simulations of oil transport through inorganic nanopores in shale. Fuel, 2016, 171: 74-86.

Wang, Y. X., Kiziltas, A., Blanchard, P., et al. Calculation of 1D and 2D densities in VMD: A flexible and easy-to-use code. Computer Physics Communications, 2021, 266: 108032.

Wu, K., Chen, Z., Li, J., et al. Nanoconfinement effect on n-alkane flow. The Journal of Physical Chemistry C, 2019, 123(26): 16456-16461.

Wu, T., Zhao, J., Zhang, W., et al. Nanopore structure and nanomechanical properties of organic-rich terrestrial shale: An insight into technical issues for hydrocarbon production. Nano Energy, 2020, 69: 104426.

Yang, Y., Liu, J., Yao, J., et al. Adsorption behaviors of shale oil in kerogen slit by molecular simulation. Chemical Engineering Journal, 2020, 387: 124054.

Yoshida, H. Construction of higher order symplectic integrators. Physics Letters A, 1990, 150(5-7): 262-268.

Zeng, Q., Yao, J., Shao, J. An extended finite element solution for hydraulic fracturing with thermo-hydro-elastic–plastic coupling. Computer Methods in Applied Mechanics and Engineering, 2020, 364: 112967.

Zhang, W., Feng, Q., Wang, S., et al. CO2 -regulated octane flow in calcite nanopores from molecular perspectives. Fuel, 2021, 286: 119299.

Zhao, G., Yao, Y., Adenutsi, C. D., et al. Transport behavior of oil in mixed wettability shale nanopores. ACS Omega, 2020, 5(49): 31831-31844.

Zhou, X., Yuan, Q., Zhang, Y., et al. Performance evaluation of CO2 flooding process in tight oil reservoir via experimental and numerical simulation studies. Fuel, 2019, 236: 730-746.




DOI: https://doi.org/10.46690/ager.2022.04.05

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