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Issue
Korean Journal of Chemical Engineering,
Vol.19, No.5, 843-862, 2002
An Extension of the Group Contribution Model for Thermodynamic and Transport Properties of Dilute Gases
Oh SK, Sim CH
Earlier work of the group contribution method presented by Oh and Campbell [Oh and Campbell, 1997] for prediction of second virial coefficients and dilute gas transport properties has been repeated with a new set of normal alkane second virial coefficient data (methane, ethane, propane, and normal pentane critically compiled by Dymond and Smith [1980], normal hexane recommended by Dymond et al. [1986], and the recommendation for normal butane, heptane and octane updated by Tsonopoulos and Dymond [1997]). This method has been extended to molecular linear gases (carbon monoxide, oxygen and hydrogen) and to alkanes-gases mixtures. The functional group parameters were revised from the simultaneous regression of second virial coefficient and viscosity data. Group parameters values (CH0, CH1, CH2, CH3, CH4, double-bonded CH1, double-bonded CH2, N2, and CO2 groups) and 8 binary group interaction parameters (kN2-CH0, GC, kN2-CH1, GC, kN2-CH2, GC, kN2-CH3, GC; kCO2-CH0, GC, kCO2-CH1, GC, kCO2-CH2, GC and kCO2-CH3, GC) were revised. New group parameter values are given for gases beyond those presented earlier (CO, O2 and H2) and 19 group binary interaction parameter values (kN2-CH1D, GC, kN2-CH2D, GC; kCO2-CH1D, GC, kCO2-CH2D, GC; kCO-CH1, GC, kCO2-CH2, GC, kCO-CH3, GC, kCO-CH1D, GC, kCO-CH2D, GC; kO2-CH0, GC, kO2-CH1, GC, kO2-CH2, GC, kO2-CH3, GC; kH2-CH0,GC, kH2-CH1, GC, kH2-CH2, GC, kH2-CH3, GC, kH2-CH1D, GC, kH2-CH2D, GC) are presented for hydrocarbon mixtures with gases. Application of the model shows that second virial coefficient data can be represented with results comparable to those obtained by Oh and Campbell [1997] and by the corresponding states method of Tsonopoulos [1974]. The accuracy of the model in viscosity and diffusion coefficient predictions of dilute gases is comparable to the methods of Lucas [1980] and of the Fuller method [Fuller et al., 1966].
Keywords: Theory; Group Contribution; Second Virial Coefficient; Viscosity; Diffusion Coefficient
[References]
  1. Achtermann HJ, Magnus G, Hinze HM, Jaeschke M, Fluid Phase Equilib., 64, 263, 1991
  2. Adzumi H, Bull. Chem. Soc. Jpn., 12, 292, 1937
  3. Al-Bizreh N, Wormald CJ, J. Chem. Thermodyn., 10, 231, 1978
  4. Amdur I, Shuler LM, J. Chem. Phys., 38, 188, 1963
  5. Baughman GL, Westoff SP, Dincer S, Duston DD, Kidnay AJ, J. Chem. Thermodyn., 7, 875, 1975
  6. Beattie JA, Stockmayer WH, Ingersoll HG, J. Chem. Phys., 9, 871, 1941
  7. Bellrn J, Reineke W, Schafer K, Schramm B, Ber. Bunsenges. Phys. Chem., 78, 282, 1974
  8. Bircher LB, Ph.D. Thesis, University of Michigan, Ann Arbor Mich., 1943
  9. Bondi A, J. Phys. Chem., 68, 441, 1964
  10. Brewer J, Vaughn GW, J. Chem. Phys., 50, 2960, 1969
  11. Brugge HB, Hwang CA, Rogers WJ, Holste JC, Hall KR, Physica A, 156, 382, 1989
  12. Campbell SW, Fluid Phase Equilib., 47, 47, 1989
  13. Carmichael LT, Sage BH, Lacey WN, AIChE J., 1, 385, 1955
  14. Chapman S, Cowling TG, "The Mathematical Theory of Non-uniform Gases," Cambridge University Press, New York, 1939
  15. Chen NH, Othmer DF, J. Chem. Data, 7, 38, 1972
  16. Chueh PL, Prausnitz JM, AIChE J., 13, 1099, 1967
  17. Clarke JK, Ubbelohde AR, J. Am. Chem. Soc., 79, 2050, 1957
  18. Connelly JF, Phys. Fluids, 4, 1494, 1961
  19. Connolly JF, Phys. Fluids, 7, 1023, 1964
  20. Cottrell TL, Hamilton RA, Taubinger RP, Trans. Faraday Soc., 52, 1310, 1956
  21. Cruikshank AJB, Gainey BW, Young CL, Trans. Faraday Soc., 64, 337, 1968
  22. Cruikshank AJB, Windsor ML, Young CL, Proc. R. Soc. Ser. A, 295, 271, 1966
  23. Dantzler EM, Knobler CM, Windsor ML, J. Phys. Chem., 72, 676, 1968
  24. Das TR, Reed CO, Eubank PT, J. Chem. Eng. Data, 18, 253, 1973
  25. Derr EL, Deal CH, Inst. Chem. Eng. Symp. Ser., 32, 40, 1969
  26. Desty DH, Goldup A, Luckhurst GR, Swanton WT, "Gas Chromatography," M. van Swaay, Ed., Butterworth, London, 76, 1962
  27. Di Zio SF, Abbott MM, Zibello D, Van Ness HC, Ind. Eng. Chem. Fundam., 5, 569, 1966
  28. Dymond JH, Smith EB, "The Virial Coefficients of Pure Gases and Mixtures - A Critical Compilation," Clarendon Press, Oxford, 1980
  29. Dymond JH, Cholinski JA, Szafranski A, Wyrzykowska-Stankiewicz D, Fluid Phase Equilib., 27, 1, 1986
  30. D'Avila SG, Kaul BK, Prausnitz JM, J. Chem. Eng. Data, 21, 488, 1976
  31. Edwards AE, Roseveare WE, J. Am. Chem. Soc., 64, 2816, 1942
  32. Esper GJ, Ph.D. Dissertation (Dtsch), Ruhr-Universitat, Bochum, 1987
  33. Everett DH, Trans. Faraday Soc., 61, 1637, 1965
  34. Everette DH, Gainey BW, Young CL, Trans. Faraday Soc., 64, 2667, 1968
  35. Fredenslund A, Jones RL, Prausnitz JM, AIChE J., 21, 1086, 1975
  36. Fuller EN, Schettler PD, Giddings JC, Ind. Eng. Chem., 58, 18, 1966
  37. Gainey BW, Pecsok RL, J. Phys. Chem., 74, 2548, 1970
  38. Georgeton GK, Teja AS, Ind. Eng. Chem. Res., 27, 657, 1988
  39. Giddings JG, Kao JTF, Kobayashi R, J. Chem. Phys., 45, 578, 1966
  40. Golubev IF, "Viscosity of Gases and Gaseous Mixtures," State Publishing House for Physical and Mathematical Literature, Moscow, Russia, 1959
  41. Golubev IF, Petrov VA, Trudy Giap, 1, 7, 1953
  42. Gorski RA, Miller JG, J. Am. Chem. Soc., 75, 550, 1953
  43. Gotoh H, Manner M, Sorensen JP, Stewart WE, J. Chem. Eng. Data, 19, 169, 1974
  44. Gunn RD, M.S. Thesis, University of California, Berkley, 1958
  45. Hamann SD, Lambert JA, Thomas RB, Aust. J. Chem., 8, 149, 1955
  46. Hicks CP, Young CL, Trans. Faraday Soc., 64, 2675, 1968
  47. Holste JC, Young JG, Eubank PT, Hall KR, AIChE J., 28, 807, 1982
  48. http://data-books.com/bussei_e/bs-index.html
  49. http://www.aist.go.jp/RIODB/db030/hy/estimate.html
  50. http://www.pirika.com/chern/TCPEE/TCPE.htm
  51. Jaeschke M, Int. J. Thermophys., 8, 81, 1987
  52. Jaeschke M, "Groupe European de Recherhes Gazieres (GERG)," TM2, Convenor, 1988
  53. Jin G, Walsh JM, Donahue MD, Fluid Phase Equilib., 31, 123, 1986
  54. Kaul BK, Prausnitz JM, AIChE J., 24, 223, 1978
  55. Kestin J, Leidenfrost W, Physica, 25, 525, 1959
  56. Kestin J, Yata J, J. Chem. Phys., 49, 4780, 1968
  57. Kihara T, "Intermolecular Forces," Wiley, New York, 1978
  58. Kim NH, Lee TH, Choi JS, Korean J. Chem. Eng., 17(5), 534, 2000
  59. Lambert JD, Cotton KJ, Pailthorpe MW, Robinson AM, Scrivens J, Vale WRF, Young RM, Proc. R. Soc. Ser. A, 231, 280, 1955
  60. Landolt-Bomstein, Physikalisch-Chemische Tabellen, Bd. 1: S. 146. Springer, 1927
  61. Lee JW, Ph.D. Thesis, University of London, 1976
  62. Lee RC, Edmister WC, AIChE J., 16, 1047, 1970
  63. Letcher TM, Marsicano F, J. Chem. Thermodyn., 6, 501, 1974
  64. Lotfi A, "Experimentelle Bestimmung von Viriakoeffizientenin Gemischen Methan+Ethan und Stickstoff+Kohlendioxid," Diploma thesis, Ruhr-Universitat Bochum, 1987
  65. Lucas K, "Phase Equilibria and Fluid Properties in the Chemical Industry," Dechema, Frankfurt, 1980
  66. Martin ML, Trengove RD, Harris KR, Dunlop PJ, Aust. J. Chem., 35, 1525, 1982
  67. Martin ML, Trengove RD, Harris KR, Dunlop PJ, Int. Data Ser. Sel. Data Mixtures Ser. A, 1, 57, 1987
  68. Mason D, Eakin BE, J. Chem. Eng. Data, 6(4), 499, 1961
  69. Massoudi R, King AD, J. Phys. Chem., 77, 2016, 1973
  70. Cummings GA, Ubbelohde AR, J. Am. Chem. Soc., 75, 3751, 1953
  71. Cummings GA, Ubbelohde AR, J. Am. Chem. Soc., 77, 2524, 1955
  72. Cummings GA, McLaughlin GA, Ubbelohde AR, J. Am. Chem. Soc., 77, 1141, 1955
  73. Mcelroy PJ, Ababio BD, J. Chem. Eng. Data, 39(2), 327, 1994
  74. Mcelroy PJ, Fang J, J. Chem. Thermodyn., 26(6), 617, 1994
  75. Mcelroy PJ, Moser J, Fluid Phase Equilib., 107(2), 229, 1995
  76. McElroy PJ, Lim LK, Craig AR, J. Chem. Eng. Data, 35, 3124, 1990
  77. Mcelroy PJ, J. Chem. Thermodyn., 26(6), 663, 1994
  78. McMath HG, Edmister WC, AIChE J., 15, 370, 1969
  79. Mueller WH, Leland TW, Kobayashi R, AIChE J., 7, 267, 1961
  80. Oh SK, Campbell SW, Fluid Phase Equilib., 129(1-2), 69, 1997
  81. Oh SK, "A Group Interaction Medel for Second Virial Coefficients of Pure Gases and Mixtures," M.S. Thesis, University of S. Florida, Tampa, 1989
  82. Ostronov MG, Bol'Shakov PE, Gel'Perin LL, Orlova AA, Russ. J. Phys. Chem., 41, 1171, 1967
  83. Pal AK, Barua AK, J. Chem. Phys., 47, 216, 1967
  84. Pecsok RL, Windsor ML, Anal. Chem., 40, 1238, 1968
  85. Pfefferle WC, Goff JA, Miller JG, J. Chem. Phys., 23, 509, 1955
  86. Prausnitz JM, Benson PR, AIChE J., 5, 161, 1959
  87. Ramesh N, Duda JL, Korean J. Chem. Eng., 17(3), 310, 2000
  88. Roe DR, Ph.D. Thesis, University of London, 1972
  89. Scott DS, Cox KE, Can. J. Chem. Eng., 38, 201, 1960
  90. Sie ST, van Beersurn W, Rijnders GWA, Sep. Sci. Technol., 1, 459, 1966
  91. Siebert ED, Knobler CM, Int. Data Ser. Sel. Data Mixtures Ser. A, 1, 16, 1983
  92. Stephan K, Lucas K, "Viscosity of Dense Fluids," Plenum Press, New York, 1979
  93. Strein K, Lichtenthaler RN, Schramm B, Schafer K, Ber. Bunsenges. Phys. Chem., 75, 1308, 1971
  94. Tarakad RR, Danner RP, AIChE J., 23, 685, 1977
  95. Trautz M, Baumann PB, Annu. Phys., 5, 733, 1929
  96. Trautz M, Sorg K, Annu. Phys., 10, 81, 1931
  97. Tsonopoulos C, Dymond JH, Fluid Phase Equilib., 133(1-2), 11, 1997
  98. Tsonopoulos C, Dymond JH, Szafranski AM, Pure Appl. Chem., 61(6), 1387, 1989
  99. Tsonopoulos C, AIChE J., 20(2), 263, 1974
  100. Vargaftik NB, "Table of Thermodynamic Properties of Liquids and Gases," Wiley, New York, 1975
  101. Waddingston G, Smith JC, Scott DW, Huffman HM, J. Am. Chem. Soc., 71, 3902, 1949
  102. Walker RE, Westenberg AA, J. Chem. Phys., 29, 1139, 1958
  103. Wall FT, Kidder GA, J. Phys. Chem., 50, 235, 1946
  104. Weber LA, Int. J. Thermophys., 13, 1011, 1992
  105. Weissman S, J. Chem. Phys., 40, 3397, 1974
  106. Wilhelm E, Battino R, J. Chem. Eng. Data, 17, 187, 1972
  107. Wilke CR, Lee CY, Ind. Eng. Chem., 47, 1253, 1955
  108. Wormald CJ, Lewis EJ, Hutchings DJ, J. Chem. Thermodyn., 11, 1, 1979
  109. Yeom MS, Chang J, Kim H, Korean J. Chem. Eng., 17(1), 52, 2000
  110. Young CL, Ph.D. Thesis, University of Bristol, 1967
  111. Young CL, Trans. Faraday Soc., 64, 1537, 1968
  112. Zaalishvili, Zh. Fiz. Khim., 30, 189, 1956
  113. Zandbergen P, Beenakker JJM, Physica. Grav., 33, 343, 1967
[Cited By]
  1. Oh SK, Park KH, Korean Journal of Chemical Engineering, 22(2), 268, 2005
  2. Oh SK, Korean Journal of Chemical Engineering, 22(6), 949, 2005
  3. Oh SK, Korean Journal of Chemical Engineering, 23(3), 447, 2006
  4. Haghighi B, Shahidi D, Papari MM, Najafi M, Korean Journal of Chemical Engineering, 24(1), 1, 2007
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