References
- Rowley , R.L. , Wilding , W.V. , Oscarson , J.L. , Zundel , N.A. , Marshall , T.L. , Daubert , T.E. and Danner , R.P. 2002 . DIPPR® Data Compilation of Pure Compound Properties , New York : Design Institute for Physical Properties, AIChE .
- Gmehling , J. 1985 . CODATA Bull. , 58 : 56
- Peng , D.Y. and Robinson , D.B. 1976 . Ind. Chem. Eng. Fundam. , 15 : 59
- Soave , G. 1972 . Chem. Eng. Sci. , 27 : 1197
- Soave , G. 1995 . Ind. Eng. Chem. Res. , 34 : 3981
- Lee , B.I. and Kesler , M.G. 1975 . AIChE J. , 21 : 510
- Chapman , W.G. , Gubbins , K.E. , Jackson , G. and Radosz , M. 1989 . Fluid Phase Equilib. , 52 : 31
- Constantinou , L. , Gani , R. and O'Connell , J. 1995 . Fluid Phase Equilib. , 103 : 11
- Renon , H. and Prausnitz , J.M. 1967 . Chem. Eng. Sci. , 22 : 299
- Fredenslund , A. , Gmehling , J. and Rasmussen , P. 1977 . Vapour–Liquid Equilibrium Using UNIFAC , New York : Elsevier .
- Huron , M.J. and Vidal , J. 1979 . Fluid Phase Equilib. , 1 : 247
- Ruthven , D.M. 1984 . Principles of Adsorption and Adsorption Processes , New York : Wiley .
- Myers , A.L. and Prausnitz , J.M. 1965 . AIChE J. , 45 : 497
- Lohrenz , J. , Bray , B.G. and Clark , C.R. 1964 . JPT , 1964 : 1171
- Pedersen , K.S. , Fredenslund , A. , Christiansen , P.L. and Thomassen , P. 1984 . Chem. Eng. Sci. , 39 : 1011
- Sastri , S.R.S. and Rao , K. 1992 . Chem. Eng. J. , 50 : 9
- Assael , M.J. , Trusler , J.P.M. and Tsolakis , T.F. 1996 . Thermophysical Properties of Fluids , Imperial College Press .
- Poling , B.E. , Prausnitz , J.M. and O'Connell , J.P. 2001 . The Properties of Gases and Liquids , 5th ed. , New York : McGraw Hill .
- Vidal , J. 1997 . Thermodynamique—Application au Génie Chimique et à l'Industrie Pétrolière , Paris : Technip .
- Prausnitz , J.M. , Lichtenthaler , R.N. and Azevedo , E.G.d. 1986 . Molecular Thermodynamics of Fluid-Phase Equilibria , Englewood Cliffs, NJ, USA : Prentice-Hall .
- Allen , M.P. and Tildesley , D.J. 1987 . Computer Simulation of Liquids , Oxford : Oxford Science Publications .
- Frenkel , D. and Smit , B. 1996 . Understanding Molecular Simulation , San Diego : Academic Press .
- Ungerer , P. , Tavitian , P. and Boutin , A. 2005 . Applications of Molecular Simulation in the Oil and Gas Industry—Monte Carlo Methods , Paris : Editions Technip .
- Ungerer , P. , Nieto-Draghi , C. , Rousseau , B. , Ahunbay , G. and Lachet , V. 2007 . J. Mol. Liq. , accepted
- Delhommelle , J. , Boutin , A. and Fuchs , A.H. 1999 . Mol. Simul. , 22 : 351
- Delhommelle , J. , Millié , P. and Fuchs , A.H. 2000 . Mol. Phys. , 98 : 1895
- Ungerer , P. , Wender , A. , Demoulin , G. , Bourasseau , E. and Mougin , P. 2004 . Mol. Simul. , 30 : 631
- Panagiotopoulos , A.Z. 1987 . Mol. Phys. , 61 : 813
- Mehta , M. and Kofke , D.A. 1994 . Chem. Eng. Sci. , 49 : 2633
- Snurr , R.Q. , Bell , A.T. and Theodorou , D.N. 1993 . J. Phys. Chem. , 97 : 13742
- Smit , B. 1995 . Mol. Phys. , 85 : 153
- Smit , B. 1995 . J. Phys. Chem. , 99 : 5597
- Nicholson , D. and Parsonage , N.G. 1982 . Computer Simulation and the Statistical Mechanics of Adsorption , New York, USA : Academic Press .
- Macedonia , M.D. and Maginn , E.J. 1999 . Mol. Phys. , 96 : 1375
- Vlugt , T.J.H. , Krishna , R. and Smit , B. 1999 . J. Phys. Chem. B , 103 : 1102
- Dubbeldam , D. , Calero , S. , Vlugt , T.J.H. , Krishna , R. , Maesen , T.L.M. and Smit , B. 2004 . J. Phys. Chem B , 108 : 12301
- Schenk , M. , Calero , S. , Maesen , T.L.M. , Vlugt , T.J.H. , Benthem , L.L.v. , Verbeek , M.G. , Schnell , B. and Smit , B. 2003 . J. Catal. , 214 : 88
- Pascual , P. , Pernot , P. , Ungerer , P. , Tavitian , B. and Boutin , A. 2003 . Phys. Chem. Chem. Phys. , 5 : 3684
- Pascual , P. , Ungerer , P. , Tavitian , B. and Boutin , A. 2004 . J. Phys. Chem. B , 108 : 393
- Pascual , P. , Boutin , A. , Ungerer , P. , Tavitian , B. and Fuchs , A.H. 2004 . Chem. Phys. Chem. , 6 : 2015
- Lachet , V. , Boutin , A. , Tavitian , B. and Fuchs , A.H. 1999 . Langmuir , 15 : 8678
- Lachet , V. , Buttefey , S. , Boutin , A. and Fuchs , A.H. 2001 . Phys. Chem. Chem. Phys. , 3 : 80
- Beauvais , C. , Guerrault , X. , Coudert , F.-X. , Boutin , A. and Fuchs , A.H. 2004 . J. Phys. Chem. B , 108 : 399
- Beauvais , C. , Boutin , A. and Fuchs , A.H. 2004 . Chem. Phys. Chem. , : 1
- Jaramillo , E. and Auerbach , S.M. 1999 . J. Phys. Chem. B , 103 : 9589
- Nosé , S. 1984 . J. Chem. Phys. , 81 : 511
- Evans , D.J. and Morris , G.P. 1983 . Chem. Phys. , 77 : 63
- Hoover , W.G. 1985 . Phys. Rev. A , 31 : 1695
- Ryckaert , J.P. , Ciccotti , G. and Berendsen , H.J.C. 1977 . J. Comput. Phys. , 23 : 327
- Ryckaert , J.P. and Bellemans , A. 1978 . Disc. Faraday Trans. , 66 : 95
- Dysthe , D. , Fuchs , A.H. and Rousseau , B. 1999 . J. Chem. Phys. , 110 : 4047
- Dysthe , D. , Fuchs , A.H. and Rousseau , B. 2000 . J. Chem. Phys. , 112 : 7581
- Dysthe , D. , Fuchs , A.H. and Rousseau , B. 1999 . J. Chem. Phys. , 110 : 4060
- Allen , W. and Rowley , R.L. 1997 . J. Chem. Phys. , 106 : 10273
- Kioupis , L.I. and Maginn . 1999 . J. Phys. Chem. B , 103 : 10781
- Kioupis , L.I. and Maginn , E.J. 2000 . J. Phys. Chem. B , 104 : 7774
- Rowley , R.L. and Ely , J.F. 1992 . Mol. Phys. , 75 : 713
- Rousseau , B. and Petravic , J. 2002 . J. Phys. Chem. B , 106 : 13010
- Smit , B. , Karaborni , S. and Siepmann , J.I. 1995 . J. Chem. Phys. , 102 : 2126
- Errington , J.R. and Panagiotopoulos , A.Z. 1999 . J. Chem. Phys. , 111 : 9731
- Bourasseau , E. , Ungerer , P. and Boutin , A. 2002 . J. Phys. Chem. B , 106 : 5483
- Bourasseau , E. , Ungerer , P. , Boutin , A. and Fuchs , A.H. 2002 . Mol. Simul. , 28 : 317
- Dodd , L.R. , Boone , T.D. and Theodorou , D.N. 1993 . Mol. Phys. , 78 : 961
- Wilding , N. 1995 . Phys. Rev. E , 53 : 926
- Barrat , J.L. and Hansen , J.P. 2003 . Basic Concepts for Simple and Complex Liquids , Cambridge, UK : Cambridge University Press .
- Hsu , J.J.-C. , Nagarajan , N. and Robinson , R.L. 1985 . J. Chem. Eng. Data , 30 : 485
- Rainwater , J.C. and Williamson , F.R. 1986 . Int. J. Thermophys. , 7 : 65
- Moldover , M.R. and Rainwater , J.C. 1988 . J. Chem. Phys. , 88 : 7772
- Potoff , J.J. and Panagiotopoulos , A.Z. 1998 . J. Chem. Phys. , 109 : 10914
- Nath , S. 2003 . J. Phys. Chem. B , 107 : 9498
- Kamath , G. , Lubna and Potoff , J.J. 2005 . J. Chem. Phys. , 123 : 124505
- Kristof , T. and Liszi , J. 1997 . J. Phys. Chem. B , 101 : 5480
- Vorholz , J. , Rumpf , B. and Maurer , G. 2002 . Phys. Chem. Chem. Phys. , 4 : 4449
- Nieto-Draghi , C. , Mackie , A.D. and Bonet-Avalos , J. 2005 . J. Chem. Phys. , 123 : 014505
- Contreras-Camacho , O. , Lachet , V. , Ahunbay , M.G. , Perez , J. , Ungerer , P. , Boutin , A. and Mackie , A.D. 2004 . J. Phys. Chem. B , 108 : 14115
- Ahunbay , M.G. , Perez-Pellitero , J. , Contreras-Camacho , R.O. , Teuler , J.M. , Ungerer , P. , Mackie , A.D. and Lachet , V. 2005 . J. Phys. Chem. B , 109 : 2970
- Contreras-Camacho , O. , Ungerer , P. , Boutin , A. and Mackie , A.D. 2004 . J. Phys. Chem. B , 108 : 14109
- Ungerer , P. , Beauvais , C. , Delhommelle , J. , Boutin , A. , Rousseau , B. and Fuchs , A.H. 2000 . J. Chem. Phys. , 112 : 5499
- Jorgensen , W.L. and Severance , D.L. 1990 . J. Am. Chem. Soc. , 112 : 4768
- Jorgensen , W.L. , Laird , E.R. , Nguyen , T.B. and Tirado-Rives , J. 1993 . J. Comput. Chem. , 14 : 206
- Jorgensen , W.L. and Nguyen , T.B. 1993 . J. Comput. Chem. , 14 : 195
- Neumann , M. 1985 . J. Chem. Phys. , 82 : 5663
- Neumann , M. 1986 . J. Chem. Phys. , 1567
- Laugier , S. and Richon , D. 1995 . J. Chem. Eng. Data , 40 : 153
- Reamer , H.H. , Sage , B.H. and Lacey , W.N. 1953 . Ind. Eng. Chem. , 45 : 1805
- Feng , G. and Mather , A.E. 1992 . J. Chem. Eng. Data , 37 : 412
- Ungerer , P. , Lachet , V. and Tavitian , B. 2006 . Oil Gas Sci. Technol. , 61 : 387
- Harris , J.G. and Yung , K.H. 1995 . J. Phys. Chem. , 99 : 12021
- Jorgensen , W.L. , Chandrasekhar , J. and Madura , J.D. 1983 . J. Chem. Phys. , 79 : 926
- Delhommelle , J. , Tschirwitz , C. , Ungerer , P. , Granucci , G. , Millié , P. , Pattou , D. and Fuchs , A.H. 2000 . J. Phys. Chem. B , 104 : 4745
- Lievens , J.L. , Mortier , W.J. and Verduijn , J.P. 1992 . J. Phys. Chem. , 96 : 5473
- Mortier , W.J. , Ghosh , S.K. and Shankar , S. 1986 . J. Am. Chem. Soc. , 108 : 4315
- Pablo , J.J.d. , Laso , M. and Suter , U.W. 1992 . J. Chem. Phys. , 96 : 6157
- Faller , R. , Yan , Q. and dePablo , J.J. 2002 . J. Chem. Phys. , 116 : 5419
- Calero , S. , Dubbeldam , D. , Krishna , R. , Smit , B. , Vlugt , T.J.H. , Denayer , J.F.M. , Martens , J.A. and Maesen , T.L.M. 2004 . J. Am. Chem. Soc. , 126 : 11377
- Lella , A.d. , Desbiens , N. , Boutin , A. , Demachy , I. , Ungerer , P. , Bellat , J.P. and Fuchs , A.H. 2006 . Phys. Chem. Chem. Phys. , 8 : 5396
- Smith , P.E. and Gunsteren , W.F.v. 1993 . Chem. Phys. Lett. , 215 : 315
- Mondello , M. and Grest , G.S. 1997 . J. Chem. Phys. , 106 : 9327
- Zhang , H. and Ely , F.F. 2004 . Fluid Phase Equilib. , 217 : 111
- McCabe , C. , Manke , C.W. and Cummings , P.T. 2002 . J. Chem. Phys. , 116 : 3339
- Nieto-Draghi , C. , Ungerer , P. and Rousseau , B. 2006 . J. Chem. Phys. , 125 : 044517
- Travis , K. , Brown , D. and Clarke , J.H.R. 1995 . J. Chem. Phys. , 102 : 2174
- Cullick , A.S. and Mathis , M. 1984 . J. Chem. Eng. Data , 29 : 393
- Dysthe , D.K. , Fuchs , A.H. and Rousseau , B. 1998 . Int. J. Thermophys. , 19 : 437
- Padilla , P. and Toxvaerd , S. 1991 . J. Chem. Phys. , 94 : 5650
- Goujon , F. and Malfreyt , P. 2002 . J. Chem. Phys. , 116 : 8106
- Chen , B. , Siepmann , J.I. and Klein , M.L. 2002 . J. Am. Chem. Soc. , 124 : 12232
- Gloor , G.J. , Jackson , G. , Blas , F.J. and Miguel , E.d. 2005 . J. Chem. Phys. , 123 : 134703
- Lisal , M. , Smith , W.R. and Nezbeda , I. 2000 . AIChE J. , 46 : 4
- Escobedo , F. 1999 . J. Chem. Phys. , 110 : 11999
- Nieto-Draghi , C. , Perez-Pellitero , J. and Bonet-Avalos . 2005 . J. Phys. Rev. Lett. , 95 : 040603
- Müller-Plathe , F. and Reith , D. 1999 . Comput. Theor. Polym. Sci. , 9 : 203
- Sun , M.S. , Talu , O. and Shah , D.B. 1996 . J. Phys. Chem. , 100 : 17276
- Wender , A. , Barreau , A. , Lefebvre , C. , Lella , A.D. , Boutin , A. , Ungerer , P. and Fuchs , A.H. 2007 . Adsorp. Sci. Technol. , accepted
- Denayer , J.F.M. and Baron , G.V. 1997 . Adsorption , 3 : 251
- Moïse , J.C. , Bellat , J.P. and Méthivier , A. 2001 . Micropor. Mesopor. Mater. , 43 : 91
- Harris , K.R. , Malhortra , R. and Woolf , L.A. 1997 . J. Chem. Eng. Data , 42 : 1254
- Caudwell , D.R. , Trusler , J.P.M. and Wakeham , W.A. 2004 . Int. J. Thermophys. , 25 : 1339