Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide

References

• Kiran , E and Brennecke , JF . 1993 . Supercritical Fluid Engineering Science. ACS Symposium Series 514 , Washington , DC : American Chem. Soc. . E. Kiran and J.M.H. Levelt-Sengers, editors, Supercritical Fluids (Kluwer, Dordrecht, 1994)
   Google Scholar
• Kemmere , MF and Meyer, editors , Th . 2005 . Supercritical Carbon Dioxide in Polymer Reaction Engineering , Weinheim : Wiley-VCH .
   Google Scholar
• Levesque , D , Weis , JJ and Hansen , JP . 1979 . Monte Carlo Methods in Statistical Physics , Edited by: Binder , K . Vol. 7 , Berlin : Springer .
   Google Scholar
• Frenkel , D and Smit , B . 2002 . Understanding Molecular Simulation: From Algorithms to Applications , San Diego : Academic Press .
   Google Scholar
• Landau , DP and Binder , K . 2005 . A Guide to Monte Carlo Simulations in Statistical Physics , Cambridge , , UK : Cambridge University Press .
   Google Scholar
• Scott , RL and van Konynenburg , PH . 1970 . Discuss . Faraday Soc. , 49 : 89 P.H. van Konynenburg and R.L. Scott, Philos. Trans. R. Soc. Ser. A 298, 495 (1980); J.S. Rowlinson and F.L. Swinton, Liquids and Liquid Mixtures (Butterworths, London, 1982).
   Google Scholar
• Bolz , A , Deiters , UK , Peters , CJ and de Loos , TW . 1998 . Pure Appl. Chem. , 70 : 2233
   Google Scholar
• Levesque , D and Weis , JJ . 1979 . The Monte Carlo Method in Condensed Matter Physics , Edited by: Binder , K . Vol. 71 , Berlin : Springer .
   Google Scholar
• Krause , B , Sijbesme , HJP , Münüklü , P , van der Vegt , NFA and Wessling , M . 2001 . Macromolecules , 34 : 8792
   Web of Science ®Google Scholar
• Yip, editor , S . 2005 . Handbook of Material Modeling , Berlin : Springer .
   Google Scholar
• Kotelyanskii , MJ and Theodorou , DY . 2004 . Simulation Method for Polymers , New York : Marcel Dekker .
   Google Scholar
• Mognetti , BM , Yelash , L , Virnau , P , Paul , W , Binder , K , Müller , M and MacDowell , LG . 2008 . J. Chem. Phys. , 128 : 104501
   PubMed Web of Science ®Google Scholar
• Mognetti , BM , Oettel , M , Yelash , L , Virnau , P , Paul , W and Binder , K . 2008 . Phys. Rev. E , 77 : 041506
   Web of Science ®Google Scholar
• Gelb , LD and Müller , EA . 2002 . Fluid Phase Equilib. , 203 : 1 S. Albo and E.A. Müller, J. Phys. Chem. B 107, 1672 (2003); E.A. Müller and L.D. Gelb, Ind. Eng. Chem. Res. 42, 4123 (2003)
   Web of Science ®Google Scholar
• Virnau , P , Müller , M , MacDowell , LG and Binder , K . 2004 . J. Chem. Phys. , 121 : 2169
   PubMed Web of Science ®Google Scholar
• Mognetti , BM , Yelash , L , Virnau , P , Paul , W , Binder , K , Müller , M and MacDowell , LG . 2009 . J. Chem. Phys. , 130 : 044101 to appear; K. Binder, B.M. Mognetti, L.G. Macdowell, M. Oettel, W. Paul, P. Virnau, and L. Yelash, Macromol. Symposia, submitted.
   PubMed Web of Science ®Google Scholar
• Levesque , D , Weis , JJ and Hansen , JP . 1984 . Application of the Monte Carlo Method in Statistical Physics , Edited by: Binder , K . Vol. 36 , Berlin : Springer .
   Google Scholar
• Mognetti , BM , Virnau , P , Yelash , L , Paul , A , Binder , K , Müller , M and MacDowell , LG . 2009 . Phys. Chem. Chem. Phys. , DOI:10.1039/b818020m
   PubMedGoogle Scholar
• Stell , G , Rasiaiah , JC and Narang , H . 1974 . Mol. Phys. , 27 : 1392
   Web of Science ®Google Scholar
• NIST website: http://webbook.nist.gov/chemistry/ (http://webbook.nist.gov/chemistry/)
   Google Scholar
• Sato , T , Sugiyama , M , Misawa , M , Takata , S , Otomo , T , Itoh , K , Mori , K and Fukunaga , T . 2008 . J. Phys.: Condens. Matter , 20 : 104203
   Web of Science ®Google Scholar
• Nishikawa , K , Tanaka , I and Amemiya , Y . 1996 . J. Phys. Chem. , 100 : 418
   Web of Science ®Google Scholar
• Ishii , R , Okazaki , S , Okada , I , Furusaka , M , Watanabe , N , Misawa , M and Fukunaga , T . 1996 . J. Chem. Phys. , 105 : 7011
   Web of Science ®Google Scholar
• Adams , JE and Siavosh-Haghighi , A . 2002 . J. Phys. Chem. B , 106 : 7973
   Web of Science ®Google Scholar
• Hansen , JP and McDonald , IR . 1986 . Theory of Simple Liquids , New York : Academic .
   Google Scholar
• Sengers , JV and Moldover , MR . 1978 . Phys. Lett. A , 66 : 44
   Web of Science ®Google Scholar
• Pelissetto , A and Vicari , E . 2002 . Phys. Rep. , 368 : 549
   Web of Science ®Google Scholar
• Harris , JG and Yung , KH . 1995 . J. Phys. Chem. , 99 : 12021
   Web of Science ®Google Scholar
• Murthy , CS , Singer , K and McDonald , IR . 1981 . Mol. Phys. , 44 : 135
   Web of Science ®Google Scholar
• Chiappini , S , Nardone , M , Ricci , FP and Bellissent-Funel , MC . 1996 . Mol. Phys. , 89 : 975 P. Cipriani, M. Nardone, and F.P. Ricci, Physica B 241–243, 940 (1998); P. Cipriani, M. Nardone, F.P. Ricci, and M.A. Ricci, Mol. Phys. 99, 301 (2001)
   Web of Science ®Google Scholar
• Murad , S , Gubbins , KE and Gray , CG . 1979 . Chem. Phys. Lett. , 65 : 187 L.L. Lee, E. Assad, H.A. Kwong, T.H. Chung, and J.M. Haile, Physica 110A, 235 (1982); S. Murad, K.E. Gubbins, and C.G. Gray, Chem. Phys. 81, 87 (1983).
   Web of Science ®Google Scholar
• Temleitner , L and Pusztai , L . 2007 . J. Phys.: Condens. Matter , 19 : 335203
   PubMed Web of Science ®Google Scholar
• Shukla , CL , Hallett , JP , Popov , AV , Hernandez , R , Liotta , CL and Eckert , CA . 2006 . J. Phys. Chem. B , 110 : 24101
   PubMed Web of Science ®Google Scholar
• Fisher , ME . 1974 . Rev. Mod. Phys. , 46 : 597
   Web of Science ®Google Scholar
• Privman , V , Hohenberg , PC and Aharony , A . 1991 . Phase Transitions and Critical Phenomena , Edited by: Domb , C and Lebowitz , JL . Vol. 14 , New York : Academic Press .
   Google Scholar
• Caselle , M and Hasenbusch , M . 1997 . J. Phys. A , 30 : 4963
   Google Scholar
• Fisher , ME and Zinn , S-Y . 1998 . J. Phys. A , 31 : L629
   Google Scholar
• Zalczer , G , Bourgou , A and Beysens , D . 1983 . Phys. Rev. A , 28 : 440
   Web of Science ®Google Scholar