Issue
Korean Journal of Chemical Engineering,
Vol.27, No.1, 289-298, 2010
An empirical near-critical correction for a quasi-chemical nonrandom lattice fluid
This paper proposes a simple empirical correction to improve the near-critical volumetric behavior of a classical equation of state (EOS) which overpredicts the critical point. The focus is on the alternative representation of long-range density fluctuation, an effect neglected in classical EOS, in terms of molecular clustering. To formulate the molecular clustering of interest, the Veytsman statistics is extended and fluctuation parameter is explicitly obtained as a solution to the quadratic equation. The proposed contribution was combined with a quasi-chemical nonrandom lattice fluid (QLF), which overpredicts the critical point. The combined model was found to require three clustering parameters besides three classical parameters and tested against vapor-liquid equilibrium data consisting of 43 nonpolar and polar components. The calculation results showed that the combined model satisfactorily represents the flattened part of the critical isotherm curve for methane as well as the top of the coexistence curve for the tested components.
[References]
  1. Soave G, Chem. Eng. Sci., 27, 1197, 1972
  2. Peng DY, Robinson DB, Ind. Eng. Chem. Fund., 15, 59, 1976
  3. Huang SH, Radosz M, Ind. Eng. Chem. Res., 29, 2284, 1990
  4. Anisimov MA, Povodyrev AA, Sengers JV, Fluid Phase Equilib., 158-160, 537, 1999
  5. Sengers JV, International union of pure and applied chemistry, Commission on Thermodynamics., Equations of state for fluids and fluid mixtures, 1st ed., Elsevier, Amsterdam, New York, 2000
  6. Chou GF, Prausnitz JM, AlChE J., 35, 1487, 1989
  7. Kraska T, Deiters UK, Int. J. Thermophys., 15, 261, 1994
  8. Kedge CJ, Trebble MA, Fluid Phase Equilib., 194-197, 401, 2002
  9. Kiselev SB, Fluid Phase Equilib., 147(1-2), 7, 1998
  10. Jiang JW, Prausnitz JM, J. Chem. Phys., 111(13), 5964, 1999
  11. Wilson KG, Physical Review B, 4, 3174, 1971
  12. Wilson KG, Physical Review B, 4, 3184, 1971
  13. Liming WS, John AW, J. Chem. Phys., 96, 4559, 1992
  14. White JA, Zhang S, J. Chem. Phys., 103(5), 1922, 1995
  15. Landau LD, Lifshitz EM, Pitaevskii LP, Statistical physics, 3d rev. and enl. ed., Pergamon Press, Oxford, New York, 1980
  16. Fornasiero F, Lue L, Bertucco A, AIChE J., 45(4), 906, 1999
  17. Mi J, Zhong C, Li YG, J. Chen, Chem. Phys., 305, 37, 2004
  18. Kiselev SB, Ely JF, Ind. Eng. Chem. Res., 38(12), 4993, 1999
  19. Shin MS, Lee Y, Kim H, J. Chem. Thermodyn., 40(2), 174, 2008
  20. Mi JG, Tang YP, Zhong CL, Li YG, J. Phys. Chem. B, 109(43), 20546, 2005
  21. Heidemann RA, Prausnitz JM, Proceedings of the National Academy of Sciences, 73, 1773, 1976
  22. Wertheim MS, J. Stat. Phys., 35, 35, 1984
  23. Wertheim MS, J. Stat. Phys., 35, 19, 1984
  24. Veytsman BA, J. Phys. Chem., 94, 8499, 1990
  25. Pfund DM, Zemanian TS, Linehan JC, Fulton JL, Yonker CR, J. Phys. Chem., 98(46), 11846, 1994
  26. Tucker SC, Chem. Rev., 99(2), 391, 1999
  27. Tucker SC, Maddox MW, J. Phys. Chem. B, 102(14), 2437, 1998
  28. Lee CS, Kang JW, Lee JH, Yoo KP, Fluid Phase Equilib., 265(1-2), 215, 2008
  29. Shin MS, Kim H, Fluid Phase Equilib., 246(1-2), 79, 2006
  30. Sengers JMHL, Fluid Phase Equilib., 158-160, 3, 1999
  31. Panayiotou C, Sanchez IC, J. Phys. Chem., 95, 10090, 1991
  32. Kedge CJ, Trebble MA, Fluid Phase Equilib., 217, 257, 2004
  33. Perry RH, Green DW, Maloney JO, Perry’s chemical engineers’ handbook, 7th ed., McGraw-Hill, New York, 1997
  34. Handel G, Kleinrahm R, Wagner W, J. Chem. Thermodyn., 24, 685, 1992
  35. Derawi SO, Michelsen ML, Kontogeorgis GM, Stenby EH, Fluid Phase Equilib., 209(2), 163, 2003
  36. Gupta RB, Johnston KP, Fluid Phase Equilib., 99, 135, 1994
  37. Kiselev SB, Ely JF, Chem. Eng. Sci., 61(15), 5107, 2006
  38. Vargaftik NB, Vinogradov YK, Yargin VS, Handbook of physical properties of liquids and gases: Pure substances and mixtures, 3rd augm. and rev. ed., Begell House, New York, 1996
  39. Kleinrahm R, Wagner W, J. Chem. Thermodyn., 18, 739, 1986
  40. Smith BD, Srivastava R, Thermodynamic data for pure compounds, Elsevier, Distributors for the U.S. and Canada, Elsevier Science Pub. Co., Amsterdam, New York, U.S.A., 1986
  41. Daubert TE, Danner RP, Design Institute for Physical Property Data (U.S.), Physical and thermodynamic properties of pure chemicals: data compilation, Hemisphere Pub. Corp., New York, 1989
  42. Nowak P, Kleinrahm R, Wagner W, J. Chem. Thermodyn., 28(12), 1441, 1996
  43. Ihmels EC, Lemmon EW, Fluid Phase Equilib., 260(1), 36, 2007
  44. Braker W, Mossman AL, Matheson Company inc., Matheson gas data book, 6th ed., Matheson, Lyndhurst, NJ, 1980
  45. Wu J, Liu Z, Pan J, Zhao X, J. Chem. Eng. Data, 49, 32, 2004
  46. Wu J, Liu Z, Wang B, Pan J, J. Chem. Eng. Data, 49, 704, 2004