IFP Energies nouvelles International Conference: MAPI 2012: Multiscale Approaches for Process Innovation
Open Access
Issue
Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles
Volume 68, Number 6, November-December 2013
IFP Energies nouvelles International Conference: MAPI 2012: Multiscale Approaches for Process Innovation
Page(s) 977 - 994
DOI https://doi.org/10.2516/ogst/2013134
Published online 27 November 2013
  • Ruthven D.M. (1984) Principles of adsorption and adsorption processes, Wiley, New York.
  • Schettler P.D., Parmely C.R. (1989) SPE Reserv. Eng. J. 1, 283-287.
  • Pollastro R.M., Jarvie D.M., Hill R.J., Adams C.W. (2007) AAPG Bull. 91, 4, 405-437.
  • Nicholson D., Parsonage N.G. (1982) Computer simulation and the statistical mechanics of adsorption, Academic Press, New York, USA.
  • Plimpton S. (1995) J. Comput. Phys. 117, 1-19. [NASA ADS] [CrossRef]
  • Sun H., Mumby S.J., Maple J.R., Hagler A.T. (1994) J. Am. Chem. Soc. 116, 2978. [CrossRef]
  • Rigby D. (2010) Materials Design Inc., PCFF+. Refined PCFF forcefield parameters for aromatic and aliphatic compounds.
  • Jorgensen W.L., Maxwell D.S., Tirado-Rives J. (1996) J. Am. Chem. Soc. 118, 11225. [CrossRef]
  • Wick C.D., Stubbs J.M., Rai N., Siepmann J.I. (2005) J. Phys. Chem. B 109, 40, 18974-18982. [CrossRef] [PubMed]
  • Wick C.D., Martin M.G., Siepmann J.I. (2000) J. Phys. Chem B 104, 8008. [CrossRef]
  • Stubbs J.M., Potoff J.J., Siepmann J.I. (2004) J. Phys. Chem. B 108, 17596-17605. [CrossRef]
  • Stubbs J.M., Chen B., Potoff J.J., Siepmann I.J. (2001) Fluid Phase Equilib. 183-184, 301-309. [CrossRef]
  • Martin M.G., Siepmann J.I. (1998) J. Phys. Chem. B 102, 2569. [CrossRef]
  • Toxvaerd S. (1997) J. Chem. Phys. 107, 5197. [CrossRef]
  • Toxvaerd S. (1990) J. Chem. Phys. 93, 4290. [CrossRef]
  • Ahunbay M.G., Perez-Pellitero J., Contreras-Camacho R.O., Teuler J.M., Ungerer P., Mackie A.D., Lachet V. (2005) J. Phys. Chem. B 109, 2970-2976. [CrossRef] [PubMed]
  • Bourasseau E., Haboudou M., Boutin A., Fuchs A.H., Ungerer P. (2003) J. Chem. Phys. 118, 3020-3034. [CrossRef]
  • Bourasseau E., Ungerer P., Boutin A. (2002) J. Phys. Chem. B 106, 5483-5491. [CrossRef]
  • Bourasseau E., Ungerer P., Boutin A., Fuchs A.H. (2002) Molec. Simul. 28, 317-336. [CrossRef]
  • Contreras-Camacho O., Ungerer P., Boutin A., Mackie A. D. (2004) J. Phys. Chem. B 108, 14109-14114. [CrossRef]
  • Delhommelle J., Tschirwitz C., Ungerer P., Granucci G., Millié P., Pattou D., Fuchs A.H. (2000) J. Phys. Chem. B 104, 4745-4753. [CrossRef]
  • Perez-Pellitero J., Bourasseau E., Demachy I., Ridard J., Ungerer P., Mackie A. (2008) J. Phys. Chem. B 112, 32, 9853-9863. [CrossRef] [PubMed]
  • Perez-Pellitero J., Ungerer P., Mackie A.D. (2007) J. Phys. Chem. B 111, 17, 4460-4466. [CrossRef] [PubMed]
  • Ungerer P., Beauvais C., Delhommelle J., Boutin A., Rousseau B., Fuchs A.H. (2000) J. Chem. Phys. 112, 5499-5510. [CrossRef]
  • Buttefey S., Boutin A., Fuchs A.H. (2002) Molec. Simul. 28, 1049. [CrossRef]
  • Beauvais C., Guerrault X., Coudert F.-X., Boutin A., Fuchs A.H. (2004) J. Phys. Chem. B 108, 399-404. [CrossRef]
  • Smit B. (1995) Mol. Phys. 85, 153. [CrossRef] [MathSciNet]
  • de Pablo J.J., Laso M., Suter U.W. (1992) J. Chem. Phys. 96, 6157. [CrossRef]
  • Maginn E.J., Bell A.T., Theodorou D.N. (1995) J. Phys. Chem. 99, 2057. [CrossRef]
  • Dodd L.R., Boone T.D., Theodorou D.N. (1993) Molec. Phys. 78, 961-996. [CrossRef]
  • Allen M.P., Tildesley D.J. (1987) Computer simulation of liquids, Oxford Science Publications, Oxford.
  • Frenkel D., Smit B. (1996) Understanding Molecular Simulation, Academic Press, San Diego.
  • Macedonia M.D., Maginn E.J. (1999) Molec. Phys. 96, 1375-1390. [CrossRef]
  • Errington J.R., Panagiotopoulos A.Z. (1999) J. Chem. Phys. 111, 9731. [CrossRef]
  • Uytterhoven L., Dompas D., Mortier W.J. (1992) J. Chem. Soc. Faraday Trans. 88, 2753-2760. [CrossRef]
  • Mortier W.J., Ghosh S.K., Shankar S. (1986) J. Am. Chem. Soc. 108, 4315-4320. [CrossRef]
  • Rozanska X., Ungerer P., Leblanc B., Yiannourakou M. (2013) Oil Gas Sci. Technol. — Rev. IFP Energies nouvelles, 68 (2) 299-307. [CrossRef] [EDP Sciences]
  • Cracknell R.F., Nicholson D., Parsonage N.G. (1990) Molec. Phys. 71, 931. [CrossRef]
  • Widom B. (1963) J. Chem. Phys. 39, 2808-2812. [CrossRef]
  • Ungerer P., Tavitian B., Boutin A. (2005) Applications of molecular simulation in the oil and gas industry - Monte- Carlo methods, Editions Technip, Paris.
  • Burgess C.G.V., Everett D., Nuttall D. (1989) Pure Appl. Chem. 61, 11, 1845-1852.
  • Ravikovitch P.I., Neimark A.V. (2001) Colloids Surfaces, A. Physicochem. Eng. Aspects 187-188, 11-21. [CrossRef]
  • Neimark A.V., Ravikovitch P.I., Vishnyakov A. (2002) Phys. Rev. E 65, 3, 031505. [CrossRef]
  • Puibasset J. (2009) Langmuir 25, 903-911. [CrossRef] [PubMed]
  • Jeffroy M., Boutin A., Fuchs A.H. (2011) J. Phys Chem. B 115, 15059-15066. [CrossRef] [PubMed]
  • Watanabe T., Manz T.A., Sholl D.S. (2011) J. Phys. Chem. C 115, 4824-4836. [CrossRef]
  • Wender A., Barreau A., Lefebvre C., DiLella A., Boutin A., Ungerer P., Fuchs A.H. (2006) Adsorp. Sci. Technol. 24, 8, 713. [CrossRef]
  • Pérez-Pellitero J., Amrouche H., Siperstein Flor R., Pirngruber G., Nieto-Draghi C., Chaplais G., Simon-Masseron A., Bazer-Bachi D., Peralta D., Bats N. (2010) Chem. Eur. J. 16, 1560-1571. [CrossRef]
  • Jaramillo E., Auerbach S.M. (1999) J. Phys. Chem. B 103, 9589-9594. [CrossRef]
  • Buttefey S., Boutin A., Mellot-Draznieks C., Fuchs A. (2001) J. Phys. Chem. B 105, 9569-9575. [CrossRef]
  • Du Z., Vlugt T.J.H., Smit B., Manos G. (1998) AIChE J. 44, 1756-1764. [CrossRef]
  • Pascual P., Pernot P., Ungerer P., Tavitian B., Boutin A. (2003) Phys. Chem. Chem. Phys. 5, 3684. [CrossRef]
  • Leroy F., Rousseau B. (2004) Molec. Simul. 30, 9, 617-620. [CrossRef]
  • Sun M.S., Talu O., Shah D.B. (1996) J. Phys. Chem. 100, 17276. [CrossRef]
  • Sun M.S., Shah D.B., Xu H.H., Talu O. (1998) J. Phys. Chem. B 102, 1466. [CrossRef]
  • Abdul-Rehman H.B., Hasanain N.A., Loughlin K.F. (1990) Ind. Eng. Chem. Res. 29, 1525-1535. [CrossRef]
  • Yu M., Hunter J.T., Falconer J.L., Noble R.D. (2006) Micropor. Mesopor. Mater. 96, 376-385. [CrossRef]
  • Weber G., Benoit F., Bellat J.-P., Paulin C., Mougin P., Thomas M. (2008) Microporous and Mesoporous Materials, 109, 184-192. [CrossRef]
  • Kelemen S.R., Afeworki M., Gorbaty M.L., Sansone M., Kwiatek P.J., Walters C.C., Freund H., Siskin M., Bence A.E., Curry D.J., Solum M., Pugmire R.J., Vandenbroucke M., Leblond M., Behar F. (2007) Energy & Fuels 21, 3, 1548-1561.
  • Oberlin A., Boulmier J.L., Villey M. (1980) in Kerogen, Insoluble Organic Matter from Sedimentary Rocks, Durand B.E. (ed), Editions Technip, Paris, pp. 191-241.
  • Okiongbo K.S., Aplin A.C., Larter S.R. (2005) Energy & Fuels 19, 6, 2495-2499. [CrossRef]
  • Van Krevelen D.W. (1993) Coal - Typology - Physics - Chemistry — Constitution, 2nd ed, Elsevier.
  • Zhang L., Greenfield M. (2007) Energy & Fuels 21, 1102-1111. [CrossRef]
  • Sondergeld C.H., Newsham K.E., Comisky J.T., Rice M.C., Rai C.S. (2010) Petrophysical Considerations in Evaluating and Producing Shale Gas Resources, in SPE Unconventional Gas Conference, Pittsburgh, Pennsylvania, 23-25 Feb, SPE paper 131768.
  • Sircar S. (2001) AIChE J. 47, 1169. [CrossRef]
  • Krooss B.M., Van Bergen F., Gensterblum Y., Siemons N., Pagnier H.J.M., David P. (2002) Mt. J. Coal Geol. 51, 2, 69-92.
  • Gensterblum Y., Van Hemert P., Billemont P., Busch A., Charrière D., Lia D., Krooss B.M., de Weireld G., Prinz D., Wolf K.-H.A.A. (2009) Carbon 47, 2958-2969. [CrossRef]
  • Gensterblum Y., Van Hemert P., Billemont P., Battistutta E., Busch A., Krooss B.M., De Weireld G., Wolf K.-H.A. A. (2010) Mt. J. Coal Geol. 84, 115-124. [CrossRef]
  • Busch A., Gensterblum Y., Krooss B.M., Siemons N. (2006) Mt. J. Coal Geol. 66, 53-68. [CrossRef]
  • Gasparik M., Ghanizadeh A., Gensterblum Y., Krooss B., Littke R. (2012) presented at the 3rd EAGE Shale workshop - Shale Physics and Shale Chemistry, Barcelona, Spain, 25 Jan, (unpublished).
  • Gasparik M., Ghanizadeh A., Bertier P., Gensterblum Y., Bouw S., Krooss B.M. (2012) Energy Fuels 26, 8, 4995-5004. [CrossRef]
  • Vandamme M., Brochard L., Lecampion B., Coussy O. (2010) J. Mech. Phys. Solids 58, 10, 1489-1505. [CrossRef]
  • Desbiens N., Demachy I., Fuchs A.H., Kirsch-Rodeschini H., Soulard M., Patarin J. (2005) Angewandte Chemie 117, 5444-5447. [CrossRef]
  • Billemont P., Coasne B., De Weireld G. (2010) Langmuir 27, 3, 1015-1024.
  • Tissot B.P., Welte D.H. (1984) Petroleum Formation and Occurrence, Springer, Berlin.
  • Faure F., Rousseau B., Lachet V., Ungerer P. (2007) Fluid Phase Equilib. 261, 1-2, 168-175. [CrossRef]
  • Escobedo F.A., de Pablo J.J. (1999) J. Chem. Phys. 110, 1290. [CrossRef]
  • Rotenberg B., Marry V., Dufrêche J.-F., Malikova N., Giffaut E., Turq P. (2007) Comptes Rendus Chimie 10, 10-11, 1108-1116. [CrossRef]
  • Malikova N., Cadéne A., Marry V., Dubois E., Turq P., Zanotti J.-M., Longeville S. (2005) Chem. Phys. 317, 226-235. [CrossRef]
  • Pellenq R.J.-M., Kushima A., Shahsavari R., Van Vliet K.J., Buehler M.J., Yip S., Ulm F.J. (2009) Proceedings of the National Academy of Sciences 106 38, 16102-16107. [CrossRef]
  • Coudert F.-X., Mellot-Draznieks C., Fuchs A.H., Boutin A. (2009) J. Am. Chem. Soc. Commun. 131, 3442-3443. [CrossRef]
  • Coudert F.-X., Boutin A., Jeffroy M., Mellot-Draznieks C., Fuchs A.H. (2011) Chem. Phys. Chem. 12, 2, 247-258. [CrossRef]

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