Abstract
Earlier work on the group contribution method applied to the Kihara potential is extended to noble gases for the estimation of second virial coefficients, dilute gas viscosities and diffusivities with a single set of gas group parameters. Group parameters are determined when second virial coefficient and viscosity data of pure gases are satisfactorily fitted within the experimental uncertainties. Parameters for gas groups (He, Ne, Ar, Kr and Xe) are found to provide good predictions of mixture properties: second virial cross coefficients, mixture viscosities, and binary diffusion coefficients. Application of the model shows that second virial coefficient data are represented with good results comparable to the values by means of the corresponding states correlation. The reliability of the present model in viscosity predictions is proved by comparison with the Lucas method. Prediction results of diffusivity are in excellent agreement with literature data and compare well with values obtained by means of the Fuller method.
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References
Bondi, A., “van der Waals Volumes and Radii,”J. Phys. Chem.,68(3), 441 (1964).
Byrne, M. A., Jones, M. R. and Staveley, L. A. K., “Second Virial Co-efficient of Argon, Krypton and Methane and their Binary Mixtures,”Trans. Faraday Soc.,64, 1747 (1968).
Campbell, S. W., “Application of the Group Contribution Concept to the Kihara Potential for the Calculation of Second Virial Coefficients,”Fluid Phase Equilibria,47, 47 (1989).
Chapman, S. and Cowling, T. G.,The Mathematical Theory ofNonuniform Gases, 3rd ed., Cambridge University Press, New York (1970).
Derr, E. L. and Deal, C. H., “Analytical Solution of Groups: Correlation of Activity Coefficients Through Structural Group Parameters,”Inst. Chem. Eng. Symp. Ser.,32, 44 (1969).
Dymond, J. H. and Alder, B. J., “Pair Potential for Argon,”J. Chem. Phys.,51(1), 309 (1969).
Dymond, J. H. and Smith, E. B.,The Virial Coefficients of Pure Gases and Mixtures-A Critical Compilation, Clarendon Press, Oxford (1980).
Fredenslund, A., Jones, R. L. and Prausnitz, J. M., “Group-contribution Estimation of Activity Coefficients in Nonideal Liquid Mixtures,”AIChE J.,21(6), 1086 (1975).
Fuller, E. N., Schettler, P. D. and Giddings, J. C., “New Method for Prediction of Binary Gas-Phase Diffusion Coefficients,”Ind. Eng. Chem.,58(5), 18(1966).
Georgeton, G. K. and Teja, A. S., “A group Contribution Equation of State Based on the Simplified Perturbed Hard Chain Theory,”Ind. Eng. Chem. Res.,27, 657 (1988).
Hellemans, J. M., Kestin, J. and Ro, S. T., “Viscosity of Binary Mixtures of Nitrogen with Argon and Krypton,”J. Chem. Phys.,57(9), 4038 (1972).
Hirschfelder, J. O., Curtiss, C. F. and Bird, R. B.,Molecular Theory of Gases and Liquids, Wiley, New York (1954)
Holsen, J.N. and Strunk, M.R.,Ind. Eng. Chem. Fund.,3, 143, (1964).
Humphreys, A. E. and Mason, E. A., “Intermolecular Forces: Thermal Diffusion and Diffusion in Ar-Kr,”The Physics of Fluids,13(1), 65 (1970).
IMSL,IMSL STAT/LIBRARY: Regression, IMSL, Houston (1994).
Iwasaki, H. and Kestin, J., “The Viscosity of Argon-Helium Mixtures,”Physica,29, 1345 (1963).
Jin, G., Walsh, J. M. and Donahue, M. D., “A Group-contribution Correlation for Predicting Thermodynamic Properties with the Perturbed-Soft-Chain Theory,”Fluid Phase Equilibria,31, 123 (1986).
Kalelkar, A. S. and Kestin, J., “Viscosity of He-Ar and He-Kr Binary Mixtures in the Temperature Range 25–700 °C,”J. Chem. Phys.,52(8), 4248 (1970).
Kestin, J. and Nagashima, A., “Viscosity of Neon-Argon Mixtures at 20 °C and 30 °C,”J. Chem. Phys.,40(12), 3648 (1964).
Kestin, J., Kobayashi, Y. and Wood, R. T., “The Viscosity of Four Binary, Gases Mixtures at 20°C and 30oC,”Physica,32, 1065 (1966).
Kestin, J. and Yata, J., “Viscosity and Diffusion Coefficient of Six Binary Mixtures,”J. Chem. Phys.,49(11), 4780 (1968).
Kestin, J., Wakeham, W. and Watanabe, K., “Viscosity, Thermal Conductivity, and Diffusion Coefficient of Ar-He and Ar-Kr Mixtures in the Temperature Range 25–700 °C,”J. Chem. Phys.,53(10), 3773 (1970).
Kestin, J., Paykoc, E. E. and Sengers, J. V., “On the Density Expansion for Viscosity in Gases,”Physica,54, 1 (1971).
Kestin, J., Ro, S. T. and Wakeham, W. A., “Viscosity of Binary Gasous Mixtures Helium-Nitrogen,”J. Chem. Phys.,56(8), 4036 (1972a).
Kestin, J., Ro, S. T. and Wakeham, W. A., “Viscosity of Binary Gaseous Mixtures Neon-Krypton,”J. Chem. Phys.,56(8), 4086 (1972b).
Kestin, J., Ro, S. T. and Wakeham, W. A., “Viscosity of the Noble Gases in the Temperature Range 25–7,900 °C,”J. Chem. Phys.,56(8), 4119 (1972c).
Kestin, J., Ro, S. T. and Wakeham, W. A., “Viscosity of the Binary Mixtures He-Ne and He-N2 in the Temperature Range 25–700 °C,”J. Chem. Phys.,56(12), 5837 (1972d).
Kestin, J. and Ro, S. T., “The Viscosity of Nine Binary and Two Ternary Mixtures of Gases at Low Density,”Ber. Bunsen-Ges. Physik. Chem.,20, 20 (1974).
Kestin, J. and Ro, S. T., “The Viscosity and Diffusion Coefficient of Binary Mixtures with Ar, N2, CO2,”Ber. Bunsen-Ges. Phys. Chem.,86, 948(1982).
Kestin, J., Knierim, K., Mason, E. A., Najafi, B., Ro, S. T. and Waldman, M., “Equilibrium and Transport Properties of the Noble Gases and Their Mixtures at Low Density,”J. Phys. Chem. Ref. Data,13(1), 229 (1984).
Kihara, T.,Intermolecular Forces, Wiley, New York (1978).
Lide, D. R.,Handbook of Chemistry and Physics, 76th Ed., CRC Press (1995).
Lucas, K.,Phase Equilibria and Fluid Properties in the Chemical Industry, Dechema, Frankfurt (1980).
O’Connell, J. P. and Prausnitz, J. M.,Advances in Thermophysical Properties at Extreme Temperatures and Pressures, 3rd Symposium of Thermophysical Properties, ASME, New York (1965).
O’Connell, J. P., Personal Communication (1988).
Oh, S.-K.,A Group Interaction Model for Second Virial Coefficients of Pure Gases and Mixtures, M.S. Thesis, University of S. Florida, Tampa (1989).
Oh, S.-K. and Campbell, S. W., “A Group Contribution Model for Thermodynamic and Transport Properties of Dilute Gases,”Fluid Phase Equilibria,129, 69 (1997).
Oh, S.-K. and Sim, C.-H., “An Extension of the Group Contribution Model for Thermodynamic and Transport Properties of Dilute Gases,”KoreanJ. Chem. Eng.,19, 843 (2002).
Oh, S.-K. and Park, K.-H., “An Extension of the Group Contribution Method for Estimating Thermodynamic and Transport Properties: Part II. Polyatomic Gases (F2, Cl2, CS2, H2S, NO and N2O),”Korean J. Chem. Eng.,22, 268 (2005).
Poling, B. E., Prausnitz, J. M. and O’Connell, J. P.,The Properties of Gases and Liquids, 5th ed., McGraw Hill, NY (2000).
Prausnitz, J. M., Lichtenthaler, R. N. and de Azevedo, E. G.,Molecular Thermodynamics of Fluid-Phase Equilibria, 3rd ed., Prentice Hall (1999).
Rietveld, A. O., Van Itterbeek, A. and Van Den Berg, G. J., “Measurements on the Viscosity of Mixtures of Helium and Argon,”Physica,19, 517(1953).
Rietveld, A. O., Van Itterbeek, A. and Van Den Berg, G. J., “Measurements on the Viscosity of Mixtures of Neon ans Argon,”Physica,22, 785 (1956).
Rietveld, A. O., Van Itterbeek, A. and Velds, C. A., “Viscosity of Binary Mixtures of Hydrogen Isotopes and Mixtures of Helium and Neon,”Physica,25, 205 (1959).
Seager, S. L., Geertson, L. R., Giddings, J. C., “Temperature Dependence of Gas and Vapor Diffusion Coefficients,”J. Chem. Eng. Data,8, 168(1963).
Strehlow, R. A.,J. Chem. Eng. Data,21, 2101 (1953).
Strehlow, R. A.,J. Chem. Eng. Data,31, 519 (1959).
Saxena, S. C. and Mason, E. A., “Thermal Diffusion and the Approach to the State in Gases: II,”Mol. Phys.,2, 379 (1959).
Stephan, K. and Lucas, K.,Viscosity of Dense Fluids, Plenum Press, New York (1979).
Tee, L. S., Gotoh, S. and Stewart, W. E., “Molecular Parameters for Normal Fluids. Kihara Potential with Spherical Core,”Ind., Eng. Chem. Fund.,5, 363 (1966).
Thornton, E. and Baker, W. A. D., “Viscosity and Thermal Conductivity of Binary Gas Mixtures: Argon-Neon, Argon-Helium and Neon-Helium,”Proc. Phys. Soc.,80, 1171 (1962).
Thornton, E., “Viscosity and Thermal Conductivity of Binary Gas Mixtures: Krypton-Argon, Krypton-Neon and Krypton-Helium,”Proc. Phys. Soc.,77, 1166 (1960a).
Thornton, E., “Viscosity and Thermal Conductivity of Binary Gas Mixtures: Xenon-Helium, Xenon-Neon and Xenon-Argon,”Proc. Phys. Soc.,76, 104 (1960b).
Tsonopoulos, C., Dymond, J. M. and Szafranski, A. M., “Second Virial Coefficients of Normal Alkanes, Linear 1-Alkanols and Their Binaries,”Pure & Appl. Chem.,61(6), 1387 (1989).
Tsonopoulos, C. and Dymond, J. H., “Second Virial Coefficients ofNormal Alkanes, Linear 1-Alkanols (and Water), Alkyl Ethers, and TheirMixtures,”Fluid Phase Equilibria,133, 11 (1997).
Tsonopoulos, C., “An Empirical Correlation of Second Virial Coefficients,”AIChE J.,20(2), 263 (1974).
van Heijningen, R. J. J., Harpe, J. P. and Beenakker, J. J. M., “Determination of the Duffusion Coefficients of Binary Mixtures of the Noble Gases As a Function of Temperature and Concentration,”Physica,38, 1 (1968).
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Oh, SK. An extension of the group contribution method for estimating thermodynamic and transport properties. Part III. Noble gases. Korean J. Chem. Eng. 22, 949–959 (2005). https://doi.org/10.1007/BF02705681
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DOI: https://doi.org/10.1007/BF02705681