International Scientific Journal

Authors of this Paper

External Links


The kerogen is rich in complex pore networks with a random rough surface, which is a factor controlling the thermal diffusion and flow property of gases. In this work, we construct organic-rich nanopore with fractal surfaces by inserting and deleting carbon atoms. The adsorption ability, thermal diffusion property, and flow velocity of CO2 /CH4 in the nanopore are analyzed using with molecular simulations. The results showed that the adsorption capacity of CO2 is nearly twice that of CH4, which is decided by adsorption enthalpy, whereas the maximum thermal diffusion ability of CO2 is only 23.7% that of CH4. With external pressure gradients imposed on the system, the flow speed of CO2 was lower than that of CH4 for nanopores with different roughness. These findings provide a theoretical basis for the feasibility of CO2 exploitation of shale gas.
PAPER REVISED: 2018-11-20
PAPER ACCEPTED: 2019-01-25
CITATION EXPORT: view in browser or download as text file
THERMAL SCIENCE YEAR 2019, VOLUME 23, ISSUE Issue 3, PAGES [1577 - 1583]
  1. Wu, T., et al., Multiscale Pore Structure and Its Effect on Gas Transport in Organic-rich Shale, Water Resources Research, 53 (2017), 7, pp.5438-5450
  2. Patzek, T., et al., A Simple Model of Gas Production from Hydrofractured Horizontal Wells in Shales, Aapg Bulletin, 98 (2014), 12, pp. 2507-2529
  3. Li, Z., et al., Liquid Nitrogen Gasification Fracturing Technology for Shale Gas Development, Journal of Petroleum Science and Engineering, 138 (2016), pp. 253-256
  4. Loucks, R.G., et al., Morphology, Genesis, and Distribution of Nanometer-scale Pores in Siliceous Mudstones of the Mississippian Barnett Shale, Journal of Sedimentary Research, 79 (2009), 12, pp. 848-861
  5. Wang, S., et al., Fast Mass Transport of Oil and Supercritical Carbon Dioxide through Organic Nanopores in Shale, Fuel, 181 (2016), pp. 741-758
  6. Bousige, C., et al., Realistic Molecular Model of Kerogen's Nanostructure, Nature Materials, 15 (2016), 5, pp. 576-582
  7. Zhu, X., et al., Atomic Mechanisms and Equation of State of Methane Adsorption in Carbon Nanopores, The Journal of Physical Chemistry C, 118 (2014), 31, pp. 17737-17744
  8. Castez, M. F., et al., Methane Flow Through Organic-rich Nanopores: the Key Role of Atomic-scale Roughness, The Journal of Physical Chemistry C, 121 (2017), 51, pp. 28527-28536
  9. Ju, Y., et al., Fractal Model and Lattice Boltzmann Method for Characterization of Non-Ddarcy Flow in Rough Fractures, Scientific Reports, 7 (2017), pp. 41380
  10. Zeng, Y., et al., Gas Transport in Self-affine Rough Microchannels of Shale Gas Reservoir, Journal of Petroleum Science and Engineering, 167 (2018), pp. 716-728
  11. Plimpton, S., Fast Parallel Algorithms for Short-Range Molecular Dynamics, Journal of Computational Physics, 117 (1993), 1, pp. 1-19
  12. Evans, D. J., et al., the Nose-Hoover Thermostat, Journal of Chemical Physics, 83 (1985), 8, pp 4069-4074
  13. Soave, G., Equilibrium Constants from a Modified Redlich-Kwong Equation of State, Chemical Engineering Science, 27 (1972), 6, pp 1197-1203
  14. Huang, L., et al., Molecular Simulation of Adsorption Behaviors of Methane, Carbon Dioxide and Their Mixtures on Kerogen: Effect of Kerogen Maturity and Moisture Content, Fuel, 211 (2018), pp. 159-172
  15. Kulasinski, K., et al., Water Diffusion in Amorphous Hydrophilic Systems: a Stop and Go Process, Langmuir, 31 (2015), 39, pp. 10843-10849
  16. Cha, J., et al., Molecular Dynamics Simulation of Dispersion Improvement of Graphene Sheets in Nanofluids by Steric Hindrance Resulting from Functional Groups, Molecular Simulation, 43 (2016), 3, pp 228-233

© 2022 Society of Thermal Engineers of Serbia. Published by the Vinča Institute of Nuclear Sciences, National Institute of the Republic of Serbia, Belgrade, Serbia. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution-NonCommercial-NoDerivs 4.0 International licence