Comparison of thermodynamic functions calculated by means of various methods

• Autorzy: Avsec J. , Marcic M.
• Języki publikacji: EN

Abstrakty

EN

The paper deals with the Lennard-Jones fluid and presents the mathematical model of computating thermodynamic functions of state in the liquid and gas domain by means of statistical thermodynamics. To calculate the thermodynamic properties of a real fluid, we used the Johnson-Zollweg-Gubbins model based on the modified Benedict-Webb-Rubin equation of state, the Chunxi-Yigui-Jiufang equation of state based on the simple perturbation theory, and the complex Tang-Tong-Lu model based on the solution of the Ornstein-Zernike equation obtained by means of the perturbation theory. The analytical results are compared with the thermodynamical data, and with the results obtained from classical thermodynamics.

Słowa kluczowe

EN

equations of state; Leonnard-Jones potential; liquid theory; perturbation theory; statistical mechanics; thermodynamics; thermodynamics functions; statistical thermodynamics; Ornstein-Zernike equation; Johnson-Zollweg-Gubbins model

PL

równanie stanu; potencjał Leonnarda-Jonesa; teoria cieczy; teoria perturbacji; funkcja termodynamiczna; termodynamika statystyczna; mechanika statystyczna; równanie Ornsteina-Zernike'a; model Johnsona-Zollwega-Gubbinsa

• Wydawca: Instytut Podstawowych Problemów Techniki PAN
• Czasopismo: Journal of Technical Physics
• Rocznik: 2002
• Tom: Vol. 43, no 3
• Strony: 309--321
• Opis fizyczny: Bibliogr. 35 poz., tab.

Twórcy

autor

Avsec J.

• Faculty of Mechanical Engineering, University of Maribor, Smetanova 17, 2000 Maribor, P.O. BOX 224, Slovenia

autor

Marcic M.

• Faculty of Mechanical Engineering, University of Maribor, Smetanova 17, 2000 Maribor, P.O. BOX 224, Slovenia

Bibliografia

• 1. J.A. Barker, D. Henderson, What is liquid, Rev. Mod. Phys., 48, 587-671, 1976.
• 2. J.A. Barker, D. Henderson, Perturbation theory and equation of state for fluids, Journ. Chem. Phys., 47, 4714-4721, 1967.
• 3. L.J. Bellamy, The infrared spectra of complex molecules, Chapman and Hall, London 1980.
• 4. C. Borgnakke, R.E. Sonntag, Thermodynamics and transport properties, John Wiley and Sons, New York 1997.
• 5. L. Bird, Theory of gases and liquids, John Wiley and Sons, London 1954.
• 6. H.B. Callen, Thermodynamics, John Willey and Sons, New York 1960.
• 7. R.L. Cotterman, B.J. Schwarz, J.M. Prausnitz, Molecular thermodynamics for fluids at Iow and high densities, AlChe J. 32, 1787-1798, 1986.
• 8. Y.A. Cengel, M.A. Boles, Thermodynamics, McGraw Hill, New York 1994.
• 9. L. Chunxi, L. Yigui, Jiufang, Fluid phase equilibria, 127, 71-81, 1997.
• 10. R.L. Eckert, R.M. Drake, Heat and mass transfer, McGraw-Hill Company, New York 1959.
• 11. W.C. Edmister, B.I. Lee, Hydrocarbon Thermodynamics I, II, Gulf Publishing Company, London 1964.
• 12. E. Ermakova, J. Solca, H. Huber, M. Welker, Argon in condensed phase, Jour. Chem. Phys., 102, 1995.
• 13. C.G. Gray, K.E. Gubbins, Theory of molecular fluids, Clarendon Press, Oxford 1984.
• 14. K.E. Gubbins, C.H. Twu, Thermodynamics of polyatomic fluid mixtures, Chemical Engineering Science, 33, 22-46, 1978.
• 15. G. Herzberg, Electronic spectra of polyatomic molecules, Van Nostrand Reinhold Company, London 1966.
• 16. G. Herzberg, Infrared and raman spectra of poły atomie molecules, Van Nostrand Reinhold Company, New York 1984.
• 17. J.K. Johnson, J.A. Zollweg, K.E. Gubbins, The Lennard-Jones equation of state revisited, Mol. Phys., 78, 591-618, 1993.
• 18. T. Kihara, Intermolecular forces, University of Tokyo, Toronto John Wiley and Sons, 1976.
• 19. K. Lucas, Applied statistical thermodynamics, Springer-Verlag, New York 1992.
• 20. J.B. Maxwell, Data book on hydrocarbons, Van Nostrand Company, New York 1955.
• 21. B.J. McClelland, Statistical thermodynamics, Chapman and Hall, London 1980.
• 22. B.J. Moser, Die Theorie der Intermolekularen Wechselwirkungen und ihre Anwendung auf die Berechnung von Verdampfungsgleichgewichten binarer Systeme, Ph. Thesis Duisburg: Gerhard- Mercatot Universitat, 1981.
• 23. A. Münster, Statistical thermodynamics, Springer-Verlag, New York 1974.
• 24. J.J. Nicolas, K.E. Gubbins, W.B. Street, Equation of state for Lennard-Jones fluid, Mol. Phys., 37, 1799-1811, 1979.
• 25. A. Pelt, J.V. Sengers, Thermodynamic properties of 1,1 difluoroethane in the critical region, J. of Supercritical Fluids, 8, 81-99, 1995.
• 26. J. Petrak, L. Ludek, Thermokinetic properties of refrigerants, Faculty of Mechanical Engineering, Praha 1993.
• 27. D.R. Pitts, L.E. Sissom, 1000 Solved problems in heat transfer, McGraw Hill, New York 1991.
• 28. M. Rigby, E.B. Smith, W.A. Wakeham, G.C. Maithland, The forces between molecules, Clarendon Press, Oxford 1986.
• 29. N.A. Smirnova, Methods of the statistical thermodynamics in the physical chemistry, University of Moscow, Moscow 1982.
• 30. Y. Tang, Z. Tong, B.C.-Y Lu, Analytical equation of state based on Ornstein-Zernike equation, Fluid Phase Equilibria, 134, 20-42, 1997.
• 31. S.M. Walas, Phase equilibria in Chemical engineering, Buttenworth Publishers, Boston 1984.
• 32. K. Wark, Advanced thermodynamics for engineers, McGraw-Hill, New York 1995.
• 33. J.D. Weeks, D. Chandler, Role of repulsive forces in determining the equilibrium structure of simple liquids, J. Chem. Phys., 54, 5237-5245, 1971.
• 34. M.W. Zemansky, R.W. Dittman, Heat and thermodynamics, McGraw-Hill International Editions, New York 1997.
• 35. B.A. Younglove, N.V. Frederick, R.D. McCarthy, Speed of sound data and related models for mixtures of natural gas constituents, NIST, Washington 1993.