Subcontinuum mass transport of condensed hydrocarbons in nanoporous media

Nature Communications

Volumn 6, Issue , 2015, Pages

  Falk, Kerstin ^a   Coasne, Benoit ^a   Pellenq, Roland ^a   Ulm, Franz Josef ^a   Bocquet, Lydéric ^a,b  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b ECOLE NORMALE SUPÉRIEURE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANE; CARBON; DODECANE; HEXANE; HYDROCARBON; KEROGEN; METHANE; NATURAL GAS; NONANE; PROPANE;

COMPLEXITY; MASS TRANSFER; NANOTECHNOLOGY; PERMEABILITY; SHALE;

ADSORPTION; ARTICLE; FLOW RATE; HYDRODYNAMICS; MOLECULAR DYNAMICS; MOLECULE; MONTE CARLO METHOD; NANOFLUIDICS; OIL SHALE; PRESSURE; TEMPERATURE; VELOCITY;

EID: 84928790628     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms7949     Document Type: Article

References (39)

1. U.S. Energy Information Administration. Annual energy outlook 2014 with projections to 2040 (U.S. Energy Information Administration, DOE/EIA-0383 (2014).
2. Cueto-Felgueroso, L. & Juanes, R. Forecasting long-term gas production from shale. Proc. Natl Acad. Sci. USA 110, 19660-19661 (2013).
3. Kerr, R. A. Natural gas from shale bursts onto the scene. Science 328, 1624-1626 (2010).
4. Hughes, J. D. Energy: a reality check on the shale revolution. Nature 494, 307-308 (2010).
5. Tollefson, J. Energy-Oil boom raises burning issues. Nature 495, 290-291 (2013).
6. Vidic, R. D., Brantley, S. L., Vandenbossche, J. M., Yoxtheimer, D. & Abad, J. D. Impact of shale gas development on regional water quality. Science 340, 1235009 (2013).
7. Clarkson, C. R. et al. Pore structure characterization of North American shale gas reservoirs using USANS/SANS, gas adsorption, and mercury intrusion. Fuel 103, 606-616 (2013).
8. Aguilera, R. Flow Units: From Conventional to Tight-Gas to Shale-Gas to Tight-Oil to Shale-Oil Reservoirs. SPE Reservoir Evaluation and Engineering. SPE-132845SPE (2013).
9. Monteiro, P. J. M., Rycroft, C. H. & Barenblatt, G. I. A mathematical model of fluid and gas flow in nanoporous media. Proc. Natl Acad. Sci. USA 109, 20309-20313 (2012).
10. Patzek, T. W., Male, F. & Marder, M. Gas production in the Barnett Shale obeys a simple scaling theory. Proc. Natl Acad. Sci. USA 110, 19731-19376 (2013).
11. Bazant, Z. P., Salviato, M., Chau, V. T., Viswanathan, H. & Zubelewicz, A. Why fracking works. J. Appl. Mech. 81, 101010 (2014).
12. Clarkson, C. R., Nobakht, M., Kaviani, D. & Ertekin, T. Production analysis of tight-gas and shale-gas reservoirs using the dynamic-slippage concept. SPE J. 17, 230-242 (2012).
13. Sinha, S. et al. Steady-state permeability measurements on intact shale samples at reservoir conditions-effect of stress, temperature, pressure, and type of gas. Society of Petroleum Engineers. doi:10.2118/164263-MS (2013).
14. Ortiz-Young, D., Chiu, H. C., Kim, S., Voitchovsky, K. & Riedo, E. The interplay between apparent viscosity and wettability in nanoconfined water. Nat. Commun. 4, 2482 (2013).
15. Coasne, B., Galarneau, A., Pellenq, R. & Di Renzo, F. Adsorption, intrusion and freezing in porous silica: the view from the nanoscale. Chem. Soc. Rev. 42, 4141-4171 (2012).
16. Neimark, A. V. & Vishnyakov, A. Phase transitions and criticality in small systems: vapor-liquid transition in nanoscale spherical cavities. J. Phys. B 110, 9403-9412 (2006).
17. Valiullin, R. et al. Exploration of molecular dynamics during transient sorption of fluids in mesoporous materials. Nature 443, 965-968 (2006).
18. Levesque, M., Duvail, M., Pagonabarraga, I., Frenkel, D. & Rotenberg, B. Accounting for adsorption and desorption in lattice Boltzmann simulations. Phys. Rev. E 88, 013308 (2013).
19. Botan, A., Vermorel, R., Ulm, F. & Pellenq, R. J. M. Accounting for adsorption and desorption in lattice Boltzmann simulations. Langmuir 29, 9985-9990 (2013).
20. Bocquet, L. & Tabeling, P. Physics and technological aspects of nanofluidics. Lab. Chip. 14, 3143-3158 (2014).
21. Thomas, J. A. & McGaughey, A. J. H. Water flow in carbon nanotubes: transition to subcontinuum transport. Phys. Rev. Lett. 102, 184502 (2009).
22. Won, Y. & Aluru, N. R. Water permeation through a subnanometer boron nitride nanotube chang. J. Am. Chem. Soc. 129, 2748-2749 (2007).
23. Firouzi, M., Rupp, E. C., Liu, C. W. & Wilcox, J. Molecular simulation and experimental characterization of the nanoporous structures of coal and gas shale. Int. J. Coal Geo. 121, 123-128 (2014).
24. Orendt, A. M. et al. Three-dimensional structure of the Siskin Green River Oil Shale Kerogen Model: a comparison between calculated and observed properties. Energy Fuels 27, 702-710 (2013).
25. Kelemen, S. R. et al. Direct characterization of kerogen by X-ray and solid-state 13C nuclear magnetic resonance methods. Energy Fuels 21, 1548-1561 (2007).
26. Pikunik, J., Llewellyin, P., Pellenq, R. J. M. & Gubbins, K. E. Argon and nitrogen adsorption in disordered nanoporous carbons: simulation and experiment. Langmuir 21, 4431-4440 (2005).
27. Barrat, J.-L. & Hansen, J.-P. Basic Concepts for Simple and Complex Liquids (Cambridge Univ., 2003).
28. Jain, S. K., Pellenq, R. J. M., Pikunic, J. P. & Gubbins, K. E. Molecular modeling of porous carbons using hybrid reverse Monte Carlo method. Langmuir 22, 9942-9948 (2006).
29. Smit, B. & Maesen, T. L. M. Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity. Chem. Rev. 108, 4125-4184 (2006).
30. Todd, B. D. & Hansen, J. S. Nonlocal viscous transport and the effect on fluid stress. Phys. Rev. E 78, 051202 (2008).
31. Iwahashi, M., Yamaguchi, Y., Ogura, Y. & Suzuki, M. Dynamical structures of normal alkanes, alcohols, and fatty acids in the liquid state as determined by viscosity, self-diffusion coefficient, infrared spectra, and 13C NMR spinlattice relaxation time measurements. Bull. Chem. Soc. Jpn 63, 2154-2158 (1990).
32. Han, Y. et al. Brownian motion of an ellipsoid. Science 314, 626-630 (2006).
33. Ferguson, A. L., Panagiotopoulos, A. Z., Debenedetti, P. G. & Kevrekidis, I. G. Systematic determination of order parameters for chain dynamics using diffusion maps. Proc. Natl Acad. Sci. USA 107, 13597-13602 (2010).
34. Rouse, P. E. A theory of the linear viscoelastic properties of dilute solutions of coiling polymers. J. Chem. Phys. 21, 1272-1280 (1953).
35. Cohen, M. H. & Turnbull, D. Molecular transport in liquids and glasses. J. Chem. Phys. 31, 1164-1169 (1959).
36. Thran, A., Kroll, G. & Faupel, F. Correlation between fractional free volume and diffusivity of gas molecules in glassy polymers. J. Polym. Sci. B Polym. Phys 37, 3344-3358 (1999).
37. Kärger, J. & Valiullin, R. Mass transfer in mesoporous materials: the benefit of microporous diffusion measurement. Chem. Soc. Rev. 42, 4172-4197 (2013).
38. Scholz, C. et al. Permeability of porous materials determined from the Euler characteristic. Phys. Rev. Lett. 109, 264504 (2012).
39. Berkowitz, B. & Ewing, R. P. Percolation theory and network modeling applications in soil physics. Surveys Geophys 19, 23-72 (1998).