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Received February 28, 2002
Accepted June 13, 2002
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An Extension of the Group Contribution Model for Thermodynamic and Transport Properties of Dilute Gases
Department of Chemical and Environmental Engineering, Kon-Yang University, San 26, Naedong, Nonsan, Chungnam 320-711, Korea 1Department of Chemistry, Sang-Ji University, 600, Woosandong, Wonju, Kwangwon 220-702, Korea
Korean Journal of Chemical Engineering, September 2002, 19(5), 843-862(20), 10.1007/BF02706979
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Abstract
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_x000D_
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_x000D_
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].
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Gainey BW, Pecsok RL, J. Phys. Chem., 74, 2548 (1970)
Georgeton GK, Teja AS, Ind. Eng. Chem. Res., 27, 657 (1988)
Giddings JG, Kao JTF, Kobayashi R, J. Chem. Phys., 45, 578 (1966)
Golubev IF, "Viscosity of Gases and Gaseous Mixtures," State Publishing House for Physical and Mathematical Literature, Moscow, Russia (1959)
Golubev IF, Petrov VA, Trudy Giap, 1, 7 (1953)
Gorski RA, Miller JG, J. Am. Chem. Soc., 75, 550 (1953)
Gotoh H, Manner M, Sorensen JP, Stewart WE, J. Chem. Eng. Data, 19, 169 (1974)
Gunn RD, M.S. Thesis, University of California, Berkley (1958)
Hamann SD, Lambert JA, Thomas RB, Aust. J. Chem., 8, 149 (1955)
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Holste JC, Young JG, Eubank PT, Hall KR, AIChE J., 28, 807 (1982)
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http://www.aist.go.jp/RIODB/db030/hy/estimate.html
http://www.pirika.com/chern/TCPEE/TCPE.htm
Jaeschke M, Int. J. Thermophys., 8, 81 (1987)
Jaeschke M, "Groupe European de Recherhes Gazieres (GERG)," TM2, Convenor (1988)
Jin G, Walsh JM, Donahue MD, Fluid Phase Equilib., 31, 123 (1986)
Kaul BK, Prausnitz JM, AIChE J., 24, 223 (1978)
Kestin J, Leidenfrost W, Physica, 25, 525 (1959)
Kestin J, Yata J, J. Chem. Phys., 49, 4780 (1968)
Kihara T, "Intermolecular Forces," Wiley, New York (1978)
Kim NH, Lee TH, Choi JS, Korean J. Chem. Eng., 17(5), 534 (2000)
Lambert JD, Cotton KJ, Pailthorpe MW, Robinson AM, Scrivens J, Vale WRF, Young RM, Proc. R. Soc. Ser. A, 231, 280 (1955)
Landolt-Bomstein, Physikalisch-Chemische Tabellen, Bd. 1: S. 146. Springer (1927)
Lee JW, Ph.D. Thesis, University of London (1976)
Lee RC, Edmister WC, AIChE J., 16, 1047 (1970)
Letcher TM, Marsicano F, J. Chem. Thermodyn., 6, 501 (1974)
Lotfi A, "Experimentelle Bestimmung von Viriakoeffizientenin Gemischen Methan+Ethan und Stickstoff+Kohlendioxid," Diploma thesis, Ruhr-Universitat Bochum (1987)
Lucas K, "Phase Equilibria and Fluid Properties in the Chemical Industry," Dechema, Frankfurt (1980)
Martin ML, Trengove RD, Harris KR, Dunlop PJ, Aust. J. Chem., 35, 1525 (1982)
Martin ML, Trengove RD, Harris KR, Dunlop PJ, Int. Data Ser. Sel. Data Mixtures Ser. A, 1, 57 (1987)
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Massoudi R, King AD, J. Phys. Chem., 77, 2016 (1973)
Cummings GA, Ubbelohde AR, J. Am. Chem. Soc., 75, 3751 (1953)
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Mcelroy PJ, Fang J, J. Chem. Thermodyn., 26(6), 617 (1994)
Mcelroy PJ, Moser J, Fluid Phase Equilib., 107(2), 229 (1995)
McElroy PJ, Lim LK, Craig AR, J. Chem. Eng. Data, 35, 3124 (1990)
Mcelroy PJ, J. Chem. Thermodyn., 26(6), 663 (1994)
McMath HG, Edmister WC, AIChE J., 15, 370 (1969)
Mueller WH, Leland TW, Kobayashi R, AIChE J., 7, 267 (1961)
Oh SK, Campbell SW, Fluid Phase Equilib., 129(1-2), 69 (1997)
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Ostronov MG, Bol'Shakov PE, Gel'Perin LL, Orlova AA, Russ. J. Phys. Chem., 41, 1171 (1967)
Pal AK, Barua AK, J. Chem. Phys., 47, 216 (1967)
Pecsok RL, Windsor ML, Anal. Chem., 40, 1238 (1968)
Pfefferle WC, Goff JA, Miller JG, J. Chem. Phys., 23, 509 (1955)
Prausnitz JM, Benson PR, AIChE J., 5, 161 (1959)
Ramesh N, Duda JL, Korean J. Chem. Eng., 17(3), 310 (2000)
Roe DR, Ph.D. Thesis, University of London (1972)
Scott DS, Cox KE, Can. J. Chem. Eng., 38, 201 (1960)
Sie ST, van Beersurn W, Rijnders GWA, Sep. Sci. Technol., 1, 459 (1966)
Siebert ED, Knobler CM, Int. Data Ser. Sel. Data Mixtures Ser. A, 1, 16 (1983)
Stephan K, Lucas K, "Viscosity of Dense Fluids," Plenum Press, New York (1979)
Strein K, Lichtenthaler RN, Schramm B, Schafer K, Ber. Bunsenges. Phys. Chem., 75, 1308 (1971)
Tarakad RR, Danner RP, AIChE J., 23, 685 (1977)
Trautz M, Baumann PB, Annu. Phys., 5, 733 (1929)
Trautz M, Sorg K, Annu. Phys., 10, 81 (1931)
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Waddingston G, Smith JC, Scott DW, Huffman HM, J. Am. Chem. Soc., 71, 3902 (1949)
Walker RE, Westenberg AA, J. Chem. Phys., 29, 1139 (1958)
Wall FT, Kidder GA, J. Phys. Chem., 50, 235 (1946)
Weber LA, Int. J. Thermophys., 13, 1011 (1992)
Weissman S, J. Chem. Phys., 40, 3397 (1974)
Wilhelm E, Battino R, J. Chem. Eng. Data, 17, 187 (1972)
Wilke CR, Lee CY, Ind. Eng. Chem., 47, 1253 (1955)
Wormald CJ, Lewis EJ, Hutchings DJ, J. Chem. Thermodyn., 11, 1 (1979)
Yeom MS, Chang J, Kim H, Korean J. Chem. Eng., 17(1), 52 (2000)
Young CL, Ph.D. Thesis, University of Bristol (1967)
Young CL, Trans. Faraday Soc., 64, 1537 (1968)
Zaalishvili, Zh. Fiz. Khim., 30, 189 (1956)
Zandbergen P, Beenakker JJM, Physica. Grav., 33, 343 (1967)