Second through fifth virial coefficients for model methane-ethane mixtures

Fluid Phase Equilibria

Volumn 351, Issue , 2013, Pages 69-73

  Kim, Hye Min ^a   Schultz, Andrew J ^a   Kofke, David A ^a  

^a State University of New York   (United States)

Author keywords

Alkanes; Critical line; Mayer sampling; Mixtures; Virial coefficients

Indexed keywords

CRITICAL LINES; EQUATION OF STATE; EXPERIMENTAL VALUES; MOLE FRACTION; SPINODAL CURVES; THIRD-ORDER; UNITED-ATOM MODELS; VIRIAL COEFFICIENT;

EQUATIONS OF STATE; ETHANE; MIXTURES; PARAFFINS;

METHANE;

EID: 84878826072     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2012.10.014     Document Type: Article

References (25)

1. Mason E.A., Spurling T.H. The virial equation of state (the international encyclopedia of physical chemistry and chemical physics). Topic 10: The Fluid State, vol. 2 1969, p. 297.
2. Peschel G. Thermodynamics and its applications. (3rd edition) by J.W. Tester and M. Modell. Angew. Chem. Int. Ed. 1998, 37:198-199.
3. Schultz A.J., Kofke D.A. Virial coefficients of Lennard-Jones mixtures. J. Chem. Phys. 2009, 130. p. 224104/1-224104/9.
4. Errington J.R., Panagiotopoulos A.Z.A. New intermolecular potential model for the n-alkane homologous series. J. Phys. Chem. B 1999, 103(30):6314-6322.
5. Lenart P.J., Panagiotopoulos A.Z. Tracing the critical loci of binary fluid mixtures using molecular simulation. J. Phys. Chem. B 2006, 110(34):17200-17206.
6. Buckingham R.A. The classical equation of state of gaseous helium neon and argon. Proc. R. Soc. London, Ser. A 1938, 168:264-283.
7. Errington J.R., Panagiotopoulos A.Z. Phase equilibria of the modified Buckingham exponential-6 potential from Hamiltonian scaling grand canonical Monte Carlo. J. Chem. Phys. 1998, 109:1093-1100.
8. Hellmann R., Bich E., Vogel E. Ab initio intermolecular potential energy surface and second pressure virial coefficients of methane. J. Chem. Phys. 2008, 128(21):214303-214309.
9. Schultz A.J., Kofke D.A. Virial coefficients of model alkanes. J. Chem. Phys. 2010, 133. p. 104101/1-104101/7.
10. Singh J.K., Kofke D.A. Mayer sampling: calculation of cluster integrals using free-energy perturbation methods. Phys. Rev. Lett. 2004, 92(22). p. 220601/1-220601/4.
11. Benjamin K.M., Singh J.K., Schultz A.J., Kofke D.A. Higher-order virial coefficients of water models. J. Phys. Chem. B 2007, 111(39):11463-11473.
12. Hoover A.E., Nagata I., Leland T.W., Kobayashi R. Virial coefficients of methane, ethane, and their mixtures at low temperatures. J. Chem. Phys. 1968, 48:2633-2647.
13. Hou H., Holste J.C., Hall K.R., Marsh K.N., Gammon B.E. Second and third virial coefficients for methane+ethane and methane+ethane+carbon dioxide at (300 and 320)K. J. Chem. Eng. Data 1996, 41:344-353.
14. McElroy P.J., Fang J. Compression factors and virial coefficients of (methane+ethane). J. Chem. Thermodyn. 1994, 26(6):617-623.
15. Dantzler E.M., Knobler C.M., Windsor M.L. Interaction virial coefficients in hydrocarbon mixtures. J. Phys. Chem. 1968, 72:676-684.
16. Funke M., Kleinrahm R., Wagner W. Measurement and correlation of the (p,ρ T) relation of ethane. I. The homogeneous gas and liquid regions in the temperature range from 95K to 340K at pressures up to 12MPa. J. Chem. Thermodyn. 2002, 34:2001-2015.
17. Kleinrahm R., Duschek W., Wagner W., Jaeschke M. Measurement and correlation of the (pressure, density, temperature) relation of methane in the temperature-range from 273.15-K to 323.15-K at pressures up to 8Mpa. J. Chem. Thermodyn. 1988, 20(5):621-631.
18. Douslin D.R., Harrison R.H., Moore R.T., MuCullough J.P. P-V-T relations for methane. J. Chem. Eng. Data 1964, 9(3):358-363.
19. E.W. Lemmon, M.O. McLinden, D.G. Friend, Thermophysical properties of fluid systems, in P.J. Linstrom, W.G. Mallard (Eds.), NIST Chemistry WebBook, NIST Standard Reference Database Number 69, http://webbook.nist.gov/chemistry/fluid.
20. Bloomer O.T., Gami D.C., Parent J.D. Physical-chemical properties of methane-ethane mixtures. Inst. Gas Technol. Res. Bull. 1953, 22:39.
21. Schultz A.J., Kofke D.A. Sixth, seventh and eighth virial coefficients of the Lennard-Jones model. Mol. Phys. 2009, 107(21):2309-2318.
22. Schultz A.J., Kofke D.A. Virial coefficients of model alkanes. J. Chem. Phys. 2010, 133(10). p. 104101.
23. Shaul K.R.S., Schultz A.J., Kofke D.A. The effect of truncation and shift on virial coefficients of Lennard-Jones potentials. Collect. Czech. Chem. Commun. 2010, 75(4):447-462.
24. Shaul K.R.S., Schultz A.J., Kofke D.A. Mayer-sampling Monte Carlo calculations of uniquely flexible contributions to virial coefficients. J. Chem. Phys. 2011, 135(12):p124101.
25. Van Konynenburg P.H., Scott R.L. Critical lines and phase equilibriums in binary Van der Waals mixtures. Philos. Trans. R. Soc. London, Ser. A 1980, 298:495-540.