The Density of Oil/Gas Mixtures: Insights From Molecular Simulations
- Mohamed Mehana (University of Oklahoma and Suez University) | Mashhad Fahes (University of Oklahoma) | Liangliang Huang (University of Oklahoma)
- Document ID
- Society of Petroleum Engineers
- SPE Journal
- Publication Date
- October 2018
- Document Type
- Journal Paper
- 1,798 - 1,808
- 2018.Society of Petroleum Engineers
- Intermolecular Forces, Molecular Simulation, Carbon Dioxide-Oil Density, Physical Properties of Crude Oil
- 10 in the last 30 days
- 221 since 2007
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Gravity segregation of reservoir fluids is mainly controlled by density. Although most gases used in the field for enhanced oil recovery (EOR) result in a reduction in density upon mixing with the oil, carbon dioxide (CO2) can result in an increase of the density upon mixing. Experimental observations confirmed this behavior. In addition, field operations report an early breakthrough for CO2 flooding, which is related to the associated gravity segregation caused by the abnormal density behavior. However, the molecular interactions at play that have an impact on the observed macroscopic behavior have not been well-understood or deeply investigated. Molecular simulation of methane, propane, and CO2 mixtures with octane, benzene, pentane, and hexadecane is studied up to the miscibility limit at temperatures up to 260°F (400 K), and pressures up to 6,000 psi (400 bar). There is a proximity between the values of density obtained through molecular simulations and those obtained through experimental work and equation-of-state (EOS) methods. It is evident that oil/CO2 mixtures sustain their density to a higher gas mole percentage compared with other gases, with the density in some cases exceeding the pure liquid-hydrocarbon density even when gas density at those conditions is lower. Our results have demonstrated that the proposed mechanisms in literature—namely, intermolecular Coulombic and induced dipole interactions and the stretching of the alkane molecules—might not be the key to understanding the oil/CO2 density behavior. However, the molecular size of the gas seems to play an important role in the density profile observed.
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Ahmed, T., Nasrabadi, H., and Firoozabadi, A. 2012. Complex Flow and Composition Path in CO2 Injection Schemes From Density Effects. Energy & Fuels 26 (7): 4590–4598. https://doi.org/10.1021/ef3005021.
Allen, M. P. and Tildesley, D. J. 1989. Computer Simulation of Liquids. Oxford University Press (Reprint).
Bowker, K. A. 2007. Barnett Shale Gas Production, Fort Worth Basin: Issues and Discussion. AAPG Bull. 91 (4): 523–533. https://doi.org/10.1306/06190606018.
Cheng, Y. 2012. Impact of Water Dynamics in Fractures on the Performance of Hydraulically Fractured Wells in Gas-Shale Reservoirs. J Can Pet Technol 51 (2): 143–151. SPE-127863-PA. https://doi.org/10.2118/127683-PA.
Coutinho, J. A., Kontogeorgis, G. M., and Stenby, E. H. 1994. Binary Interaction Parameters for Nonpolar Systems With Cubic Equations of State: A Theoretical Approach 1. CO2/Hydrocarbons Using SRK Equation of State. Fluid Phase Equilibria 102 (1): 31–60. https://doi.org/10.1016/0378-3812(94)87090-X.
Cygan, R. T., Romanov, V. N., and Myshakin, E. M. 2012. Molecular Simulation of Carbon Dioxide Capture by Montmorillonite Using an Accurate and Flexible Force Field. The Journal of Physical Chemistry C 116 (24): 13079–13091. https://doi.org/10.1021/jp3007574.
Dumont, D. and Bougeard, D. 1995. A Molecular Dynamics Study of Hydrocarbons Adsorbed in Silicalite. Zeolites 15 (7): 650–655. https://doi.org/10.1016/0144-2449(95)00032-2.
Firoozabadi, A. 2015. Thermodynamics and Applications of Hydrocarbon Energy Production. McGraw Hill Professional (Reprint).
Gross, J. and Sadowski, G. 2001. Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules. Industrial and Engineering Chemistry Research 40 (4): 1244–1260. https://doi.org/10.1021/ie0003887.
Hu, Y., Devegowda, D., Striolo A. et al. 2015. The Dynamics of Hydraulic Fracture Water Confined in Nano-Pores in Shale Reservoirs. Journal of Unconventional Oil and Gas Resources 9: 31–39. https://doi.org/10.1016/j.juogr.2014.11.004.
Javadpour, F. 2009. Nanopores and Apparent Permeability of Gas Flow in Mudrocks (Shales and Siltstone). J Can Pet Technol 48 (8): 16–21. PETSOC-09-08-16-DA. https://doi.org/10.2118/09-08-16-DA.
Jin, Z. and Firoozabadi, A. 2016. Thermodynamic Modeling of Phase Behavior in Shale Media. SPE J. 21 (1): 190–207. SPE-176015-PA. https://doi.org/10.2118/176015-PA.
Jindrová, T., Mikyška, J. I., and Firoozabadi, A. 2015. Phase Behavior Modeling of Bitumen and Light Normal Alkanes and CO2 by PR-EOS and CPAEOS. Energy & Fuels 30 (1): 515–525. https://doi.org/10.1021/acs.energyfuels.5b02322.
Johnston, J. 1988. Weeks Island Gravity Stable CO2 Pilot. Presented at the SPE Enhanced Oil Recovery Symposium, Tulsa, Oklahoma, USA, 16–21 April. SPE-17351-MS. https://doi.org/10.2118/17351-MS.
Jorgensen, W. L., Maxwell, D. S., and Tirado-Rives, J. 1996. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids. Journal of the American Chemical Society 118 (45): 11225–11236. https://doi.org/10.1021/ja9621760.
Karaborni, S., Van Os, N., Esselink, K. et al. 1993. Molecular Dynamics Simulations of Oil Solubilization in Surfactant Solutions. Langmuir 9: 1175–1178. https://doi.org/10.1021/la00029a004.
Kariznovi, M., Nourozieh, H., and Abedi, J. 2013. Phase Composition and Saturated Liquid Properties in Binary and Ternary Systems Containing Carbon Dioxide, n-Decane, and n-Tetradecane. The Journal of Chemical Thermodynamics 57: 189–196. https://doi.org/10.1016/j.jct.2012.08.019.
Lansangan, R. and Smith, J. 1993. Viscosity, Density, and Composition Measurements of CO/West Texas Oil Systems. SPE Res Eng 8 (3): 175–182. SPE-21017-PA. https://doi.org/10.2118/21017-PA.
Lashkarbolooki, M., Vaezian, A., Hezave, A. Z. et al. 2016. Experimental Investigation of the Influence of Supercritical Carbon Dioxide and Supercritical Nitrogen Injection on Tertiary Live-Oil Recovery. The Journal of Supercritical Fluids 117: 260–269. https://doi.org/10.1016/j.supflu.2016.07.004.
Linstrom, P. J. and Mallard, W. 2001. NIST Chemistry Webbook; NIST Standard Reference Database No. 69.
Liu, B., Shi, J., Sun, B. et al. 2015. Molecular Dynamics Simulation on Volume Swelling of CO2–Alkane System. Fuel 143: 194–201. https://doi.org/10.1016/j.fuel.2014.11.046.
Mehana, M. 2016. On the Fate of the Fracturing Fluid and Its Impact on Load Recovery and Well Performance. MS thesis, University of Oklahoma, Norman, Oklahoma, USA.
Mehana, M. and Fahes, M. 2016. The Impact of the Geochemical Coupling on the Fate of Fracturing Fluid, Reservoir Characteristics and Early Well Performance in Shale Reservoirs. Presented at the SPE Kingdom of Saudi Arabia Annual Technical Symposium and Exhibition, Dammam, Saudi Arabia. SPE-182744-MS. https://doi.org/10.2118/182744-MS.
Mehana, M., ALsalman, M., and Fahes, M. 2017. The Impact of Salinity on Water Dynamics, Hydrocarbon Recovery and Formation Softening in Shale: Experimental Study. Presented at the SPE Kingdom of Saudi Arabia Annual Technical Symposium and Exhibition, Dammam, Saudi Arabia. SPE-188131-MS. https://doi.org/10.2118/188131-MS.
Milanesio, J. M., Hassler, J. C., and Kiran, E. 2013. Volumetric Properties of Propane, n-Octane, and Their Binary Mixtures at High Pressures. Industrial & Engineering Chemistry Research 52 (19): 6592–6609. https://doi.org/10.1021/ie4007084.
Moortgat, J. 2016. Viscous and Gravitational Fingering in Multiphase Compositional and Compressible Flow. Advances in Water Resources 89: 53–66. https://doi.org/10.1016/j.advwatres.2016.01.002.
Nojabaei, B., Johns, R. T., and Chu, L. 2013. Effect of Capillary Pressure on Phase Behavior in Tight Rocks and Shales. SPE Res Eval & Eng 16 (3): 281–289. SPE-159258-PA. https://doi.org/10.2118/159258-PA.
Nourozieh, H., Kariznovi, M., and Abedi, J. 2013a. Measurement and Correlation of Saturated Liquid Properties and Gas Solubility for Decane, Tetradecane, and Their Binary Mixtures Saturated With Carbon Dioxide. Fluid Phase Equilibria 337: 246–254. https://doi.org/10.1016/j.fluid.2012.09.037.
Nourozieh, H., Kariznovi, M., and Abedi, J. 2013b. Measurements and Predictions of Density and Carbon Dioxide Solubility in Binary Mixtures of Ethanol and n-Decane. The Journal of Chemical Thermodynamics 58: 377–384. https://doi.org/10.1016/j.jct.2012.11.017.
Parsegian, V. A. 2005. Van der Waals Forces: A Handbook for Biologists, Chemists, Engineers, and Physicists. Cambridge University Press (Reprint).
Peng, D.-Y. and Robinson, D. B. 1976. A New Two-Constant Equation of State. Ind. Eng. Chem. Fundam. 15 (1): 59–64. https://doi.org/10.1021/i160057a011.
Plimpton, S. 1995. Fast Parallel Algorithms for Short-Range Molecular Dynamics. Journal of Computational Physics 117 (1): 1–19. https://doi.org/10.1006/jcph.1995.1039.
Toukmaji, A. Y. and Board, J. A. 1996. Ewald Summation Techniques in Perspective: A Survey. Computer Physics Communications 95 (2–3): 73–92. https://doi.org/10.1016/0010-4655(96)00016-1.
Ungerer, P., Boutin, A., and Fuchs, A. H. 1999. Direct Calculation of Bubble Points by Monte Carlo Simulation. Molecular Physics 97 (4): 523–539. https://doi.org/10.1080/00268979909482852.
Ungerer, P., Tavitian, B., and Boutin, A. 2005. Applications of Molecular Simulation in the Oil and Gas Industry: Monte Carlo Methods. Editions Technip (Reprint).
Ungerer, P., Nieto-Draghi, C., Lachet, V. et al. 2007. Molecular Simulation Applied to Fluid Properties in the Oil and Gas Industry. Molecular Simulation 33 (4–5): 287–304. https://doi.org/10.1080/08927020701245509.
Ungerer, P., Collell, J., and Yiannourakou, M. 2014. Molecular Modeling of the Volumetric and Thermodynamic Properties of Kerogen: Influence of Organic Type and Maturity. Energy & Fuels 29 (1): 91–105. https://doi.org/10.1021/ef502154k.
Van Buuren, A. R., Marrink, S.-J., and Berendsen, H. J. 1993. A Molecular Dynamics Study of the Decane/Water Interface. Journal of Physical Chemistry 97: 9206–9212. https://doi.org/10.1021/j100138a023.
van der Waals, J. D., Threfall, R., Adair, J. F. et al. 1873. The Continuity of the Liquid and Gaseous States, publisher not identified (Reprint).
Wang, Z. and Krupnick, A. 2013. A Retrospective Review of Shale Gas Development in the United States: What Led to the Boom? Economics of Energy & Environmental Policy 4 (1). https://doi.org/10.5547/2160-5890.4.1.zwan.
Yang, S., Dehghanpour, H., Binazadeh, M. et al. 2017. A Molecular Dynamics Explanation for Fast Imbibition of Oil in Organic Tight Rocks. Fuel 190: 409–419. https://doi.org/10.1016/j.fuel.2016.10.105.
Zhang, J., Pan, Z., Liu, K. et al. 2013. Molecular Simulation of CO2 Solubility and Its Effect on Octane Swelling. Energy & Fuels 27 (5): 2741–2747. https://doi.org/10.1021/ef400283n.