Influence of the Periodic Boundary Conditions on the Fluid Structure and on the Thermodynamic Properties Computed from the Molecular Simulations | Oil & Gas Science and Technology

Dossier: InMoTher 2012 - Industrial Use of Molecular Thermodynamics

Open Access

Numéro		Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles Volume 68, Numéro 2, March-April 2013 Dossier: InMoTher 2012 - Industrial Use of Molecular Thermodynamics


Page(s)		271 - 279
DOI		https://doi.org/10.2516/ogst/2012037
Publié en ligne		28 mars 2013

Ungerer P., Lachet V., Tavitian B. (2006) Oil Gas Sci. Technol. 61, 387-403. [CrossRef] [EDP Sciences] [Google Scholar]
Case D.A., Cheatham T.E., Darden T. et al. (2005) J. Comput. Chem. 26, 1668-1688. [CrossRef] [PubMed] [Google Scholar]
Van der Spoel D., Lindahl E., Hess B. et al. (2005) J. Comput. Chem. 26, 1701-1718. [CrossRef] [PubMed] [Google Scholar]
Jorgensen W.L., Tirado-Rives J. (2005) J. Comput. Chem. 26, 1689-1700. [CrossRef] [PubMed] [Google Scholar]
Toxvaerd S. (1990) J. Chem. Phys. 93, 4290-4295. [Google Scholar]
Toxvaerd S. (1997) J. Chem. Phys. 107, 5197-5204. [Google Scholar]
Smit B., Karaborni S., Siepmann J.I. (1995) J. Chem. Phys. 102, 2126-2140. [Google Scholar]
Martin M.G., Siepmann J.I. (1998) J. Phys. Chem. B 102, 2569-2577. [CrossRef] [Google Scholar]
Martin M.G., Siepmann J.I. (1999) J. Phys. Chem. B 103, 4508-4517. [CrossRef] [Google Scholar]
Wick C.D., Martin M.G., Siepmann J.I. (2000) J. Phys. Chem. B 104, 8008-8016. [CrossRef] [Google Scholar]
Chen B., Potoff J.J., Siepmann J.I. (2001) J. Phys. Chem. B 105, 3093-3104. [CrossRef] [Google Scholar]
Nath S.K., Escobedo F.A., de Pablo J.J. (1998) J. Chem. Phys. 108, 9905-9911. [CrossRef] [Google Scholar]
Nath S.K., Banaszak B.J., de Pablo J.J. (2001) J. Chem. Phys. 114, 3612-3616. [CrossRef] [Google Scholar]
Nath S.K., Khare R. (2001) J. Chem. Phys. 115, 10837-10844. [CrossRef] [Google Scholar]
Ungerer P., Beauvais C., Delhommelle J., Boutin A., Rousseau B., Fuchs A.H. (2000) J. Chem. Phys. 112, 5499-5510. [Google Scholar]
Pascual P., Ungerer P., Tavitian B., Pernot P., Boutin A. (2003) Phys. Chem. Chem. Phys. 5, 3684-3693. [CrossRef] [Google Scholar]
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] [Google Scholar]
Boutard Y., Ungerer P., Teuler J.M., Ahunbay M.G., Sabater S.F., Perez-Pellitero J., Mackie A.D., Bourasseau E. (2005) Fluid Phase Equilib. 236, 25-41. [CrossRef] [Google Scholar]
Ungerer P. (2003) Oil Gas Sci. Technol. 58, 271-297. [CrossRef] [EDP Sciences] [Google Scholar]
Economou I.G., Karakatsani E.K., Logotheti G.-E., Ramos J., Vanin A.A. (2008) Oil Gas Sci. Technol. 63, 283-293. [CrossRef] [EDP Sciences] [Google Scholar]
Pérez-Pellitero J., Ungerer P., Mackie A.D. (2008) Oil Gas Sci. Technol. 63, 277-282. [CrossRef] [EDP Sciences] [Google Scholar]
Elts E., Windmann T., Staak D., Vrabec J. (2012) Fluid Phase Equilib. 322, 79-91. [CrossRef] [Google Scholar]
Schnabel T., Vrabec J., Hasse H. (2005) Fluid Phase Equilib. 233, 134-143. [CrossRef] [Google Scholar]
Fuchs A.H., Boutin A., Teuler J.-M. Di Lella A., Wender A., Tavitian B., Ungerer P. (2006) Oil Gas Sci. Technol. 61, 571-578. [CrossRef] [EDP Sciences] [Google Scholar]
Janeček J., Krienke H., Schmeer G. (2006) J. Phys. Chem. B 110, 6916-6923. [CrossRef] [PubMed] [Google Scholar]
Biscay F., Lachet V., Malfreyt P. (2011) Actual Chim. 358, 19-23. [Google Scholar]
Neyt J.C., Wender A., Lachet V., Malfreyt P. (2012) J. Phys. Chem. C 116, 10563-10572. [CrossRef] [Google Scholar]
Lachet V., Creton B., de Bruin T., Bourasseau E., Desbiens N., Wilhelmsen O., Hammer M. (2012) Fluid Phase Equilib. 322, 66-78. [CrossRef] [Google Scholar]
Lebowitz J.L., Percus J.K. (1961) Phys. Rev. 124, 1673-1681. [CrossRef] [MathSciNet] [Google Scholar]
Lebowitz J.L., Percus J.K., Verlet L. (1967) Phys. Rev. 153, 250-254. [CrossRef] [Google Scholar]
Mandell M.J. (1976) J. Stat. Phys. 15, 299-305. [CrossRef] [Google Scholar]
Wittich B., Deiters U.K. (2010) Molec. Simul. 36, 364-372. [CrossRef] [Google Scholar]
Pratt L.R., Haan S.W. (1981) J. Chem. Phys. 74, 1864-1872. [CrossRef] [Google Scholar]
Pratt L.R., Haan S.W. (1981) J. Chem. Phys. 74, 1873-1876. [CrossRef] [Google Scholar]
Denton A.R., Egelstaff P.A. (1997) Z. Phys. B 103, 343-349. [CrossRef] [Google Scholar]
Kolafa J. (1992) Molec. Phys. 75, 577-586. [CrossRef] [Google Scholar]
Kolafa J., Labík S., Malijevský A. (2004) Phys. Chem. Chem. Phys. 6, 2335-2340. [CrossRef] [Google Scholar]
Chen L.-J. (1995) J. Chem. Phys. 103, 10214. [CrossRef] [Google Scholar]
Gonzalez-Melchor M., Orea P., Lopez-Lemus J., Alejandre J. (2005) J. Chem. Phys. 122, 094503. [CrossRef] [PubMed] [Google Scholar]
Orea P., Lopez-Lemus J., Alejandre J. (2005) J. Chem. Phys. 123, 114702. [CrossRef] [PubMed] [Google Scholar]
Janeček J. (2009) J. Chem. Phys. 131, 124513. [CrossRef] [PubMed] [Google Scholar]
Janeček J., Krienke H., Schmeer G. (2007) Condens. Matter Phys. 10, 415-423. [CrossRef] [Google Scholar]
Weeks J.D., Chandler D., Andersen H.C. (1971) J. Chem. Phys. 54, 5237. [CrossRef] [Google Scholar]
Boublík T. (1986) Molec. Phys. 59, 775. [CrossRef] [Google Scholar]
Šindelka M., Boublík T. (1997) Fluid Phase Equilib. 143, 13-27. [CrossRef] [Google Scholar]
Alejandre J., Bresme F., Gonzalez-Melchor M., del Rio F. (2007) J. Chem. Phys. 126, 224511. [CrossRef] [PubMed] [Google Scholar]

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