An atomistic fourth-order virial equation of state for Argon from first principles calculations

Chemical Physics Letters

Volumn 514, Issue 1-3, 2011, Pages 164-167

  Wiebke, J ^a   Schwerdtfeger, P ^a   Moyano, G E ^a,b   Pahl, E ^a  

^a MASSEY UNIVERSITY   (New Zealand)

^b UNIVERSIDAD DE ANTIOQUIA   (Colombia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CRITICAL POINTS; CRITICAL TEMPERATURES; EQUATION OF STATE; EXPERIMENTAL VALUES; FIRST-PRINCIPLES CALCULATION; FOURTH ORDER; LIQUID-VAPOR; THREE-BODY POTENTIAL;

CALCULATIONS; PHASE EQUILIBRIA;

EQUATIONS OF STATE;

EID: 80052933164     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.08.024     Document Type: Article

References (33)

1. J. Hansen, and I.R. McDonald Theory of Simple Liquids 2006 Academic Press London
2. G. Marcelli, and R.J. Sadus J. Chem. Phys. 111 1999 1533
3. P.S. Vogt, R. Liapine, B. Kircher, A.J. Dyson, H. Huber, G. Marcelli, and R.J. Sadus Phys. Chem. Chem. Phys. 3 2001 1297
4. R. Bukowski, and K. Szalewicz J. Chem. Phys. 114 2001 9518
5. A.E. Nasrabad, R. Laghaei, and U.K. Deiters J. Chem. Phys. 121 2004 6424
6. A.E. Nasrabad, and R. Laghaei J. Chem. Phys. 125 2006 084510-1
7. A.R.H. Goodwin, J.V. Sengers, and C.J. Peters Applied Thermodynamics of Fluids 2010 RCS Publishing Cambridge
8. C. Tegeler, R. Span, and W. Wagner J. Phys. Chem. Ref. Data 28 1999 779
9. E.A. Mason, and T.H. Spurling The Virial Equation of State 1969 Pergamon Press Oxford
10. J.O. Hirschfelder, C.F. Curtiss, and R.B. Bird The Molecular Theory of Gases and Liquids 1964 John Wiley & Sons New York
11. J.L. Lebowitz Ann. Rev. Phys. Chem. 19 1968 389
12. A.J. Masters J. Phys. Condens. Matter 20 2008 283102
13. A. Hermann, R.P. Krawczyk, M. Lein, P. Schwerdtfeger, I.P. Hamilton, and J.J.P. Stewart Phys. Rev. A 76 2007 013202-1
14. R. Pospíšil, A. Malijevský, and S. Labík Mol. Phys. 64 1988 21
15. O. Guzmán, and F. del Río J. Phys. B 40 2007 3989
16. E.M. Mas, V.F. Lotrich, and K. Szalewicz J. Chem. Phys. 110 1999 6694
17. A. Malijevský, F. Karlický, R. Kalus, and A. Malijevský J. Phys. Chem. C 111 2007 15565
18. C.H.J. Johnson, and T.H. Spurling Aust. J. Chem. 27 1974 241
19. P. Schwerdtfeger, N. Gaston, R.P. Krawcyk, R. Tonner, and G.E. Moyano Phys. Rev. B 73 2006 064112-1
20. E. Pahl, F. Calvo, L. Koči, and P. Schwerdtfeger Angew. Chem. 120 2008 8329
21. P. Schwerdtfeger, and A. Hermann Phys. Rev. B 80 2009 064106-1
22. E. Pahl, F. Calvo, and P. Schwerdtfeger Int. J. Quantum Chem. 109 2009 1812
23. J.A. Barker, and J.J. Monaghan J. Chem. Phys. 36 1962 2564
24. J.A. Barker, and J.J. Monaghan J. Chem. Phys. 36 1962 2558
25. W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Fortran Numerical Recipes, vol. 1, Fortran 77, second ed., Cambridge University Press, Cambridge, 1992.
26. B. Jäger, R. Hellmann, E. Bich, and E. Vogel Mol. Phys. 107 2009 2181
27. P. Schwerdtfeger, B. Assadollahzadeh, and A. Hermann Phys. Rev. B 82 2010 205111-1
28. R. Gilgen, R. Kleinrahm, and W. Wagner J. Chem. Thermodyn. 26 1994 383
29. J.H. Dymond, and E.B. Smith The Virial Coefficients of Pure Gases and Mixtures 1980 Oxford University Press Oxford
30. R. Gilgen, R. Kleinrahm, and W. Wagner J. Chem. Thermodyn. 26 1994 399
31. M. Reif Fundamentals of Statistical and Thermal Physics 2009 Waveland Press New York
32. J.G. Calvert Pure Appl. Chem. 62 1990 2167
33. R. Estrada-Torres, G.A. Iglesias-Silva, M.M. Ramos-Estrada, and K.R. Hall Fluid Phase Equilibr. 258 2007 148