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Year 2023, Volume: 5 Issue: 1, 51 - 61, 10.05.2023

Abstract

References

  • Joyce, P.C., Gordon, J., Thies M.C., 2000. Vapor−Liquid Equilibria for the Hexane + Tetracosane and Hexane + Hexatriacontane Systems at Elevated Temperatures and Pressures. Journal of Chemical & Engineering Data 45 (3), 424‐427.
  • Kontogeorgis, G.M., Michelsen, M.L., Stenby, E.H., 1996. A Generalized Framework for Thermodynamic Models. AIChE Journal 42 (11), 3078-3086.
  • Kontogeorgis, G.M., Yakoumis, I.V., Michelsen, M.L., 2001. Generalized Enthalpy Convergence for Flash Calculations. AIChE Journal 47 (2), 321-329.
  • Michelsen, M.L., 1982a. The Isothermal Flash Problem. I. Stability. Fluid Phase Equilibria 8 (1), 29-48.
  • Michelsen, M.L., 1982b. The Isothermal Flash Problem. II. Phase Split Calculation. Fluid Phase Equilibria 8(1), 49-62.
  • Michelsen, M.L., Fredenslund, A., 1982. Multiparameter Equations of State: An Accurate Source of Thermodynamic Property Data. Industrial & Engineering Chemistry Fundamentals 21 (1), 52-59.
  • Michelsen, M.L., Mollerup, J.M., 2007. Thermodynamic Models: Fundamentals and Computational Aspects. Wiley.
  • Prausnitz, J.M., Lichtenthaler, R.N., de Azevedo, E.G., 1998. Molecular Thermodynamics of Fluid-Phase Equilibria. Prentice Hall.
  • Peng, D.Y., Robinson, D.B., 1976. A New Two-Constant Equation of State. Industrial & Engineering Chemistry Fundamentals 15 (1), 59-64.
  • Pitzer, K.S., Wilson, L.B., 1950. The Volumetric and Thermodynamic Properties of Fluids. I. Theoretical." Journal of the American Chemical Society 72 (8),3300-3307.
  • Soave, G., 1972. Equilibrium Constants from a Modified Redlich-Kwong Equation of State. Chemical Engineering Science 27 (6), 1197-1203.
  • Song, G., Li, H., Li, B., 2017. A New Equation of State for Hydrocarbons with a Simplified Dispersion Term. Fluid Phase Equilibria 443, 1-9.
  • Tassios, D.P., 1989. Equations of State for Mixtures: Present Status and Future Developments. Chemical Engineering Science 44 (8), 1747-1776.
  • Venkatramani, A.V., Okuno, R., 2015. Characterization of water-containing reservoir oil using an EOS for steam injection processes. Journal of Natural Gas Science and Engineering 26, 1091-1106. https://doi.org/10.1016/j.jngse.2015.07.036.
  • Wang, Y., Wu, J., Yang, X., 2015. A New Equation of State for Hydrocarbons with a Modified Attractive Term. Fluid Phase Equilibria 401, 148-160.
  • Wilson, G.M., 1964. Vapor-Liquid Equilibrium. XI. A New Expression for the Excess Gibbs Energy of Partly Miscible Systems. Journal of the American Chemical Society 86 (2), 127-130.
  • Wu, J., Wang, Y., Yang, X., 2015. A New Equation of State for Hydrocarbons with a Modified Dispersion Term. Fluid Phase Equilibria 392, 66-78.

Development and Analysis of a Program for Phase–Equilibrium Calculations Using the Peng–Robinson Equation of State

Year 2023, Volume: 5 Issue: 1, 51 - 61, 10.05.2023

Abstract

Phase equilibrium calculations are important in various fields such as chemical engineering, materials science, and physics. The Peng-Robinson equation of state (EOS) is widely used to calculate phase behavior for mixtures of substances. This paper presents a program for isothermal and isobaric phase-equilibrium calculations using the Peng-Robinson EOS. The program utilizes successive substitution for both single-phase stability analysis and two-phase flash, and allows for multiple initial guesses and variable input parameters for flexibility. The program is designed to be easily modified to accommodate changes in the number of components, overall composition, temperature, pressure, critical temperature and pressure, acentric factors, binary interaction parameters, convergence criteria, and maximum numbers of iterations for iteration loops. The program is then used to analyze the phase behavior of various mixtures, including a binary mixture of n-hexane and n-hexatriacontane, and a ternary mixture of CO2-n-C4-n-C10 at 180 °F and 1700 psia. The results show the bubble- and dew-point curves for the binary mixture, as well as the effect of the binary interaction parameter on the Gibbs energy and phase envelope. The ternary phase diagram for the CO2-n-C4-n-C10 mixture is also presented, along with a Gibbs free energy plot of equilibrium two-phase compositions. Overall, this program and its results have important implications for a variety of fields, including chemical engineering and materials science. The program can be used to design and develop new materials and processes in these fields by accurately predicting the phase behavior of mixtures under different conditions.

References

  • Joyce, P.C., Gordon, J., Thies M.C., 2000. Vapor−Liquid Equilibria for the Hexane + Tetracosane and Hexane + Hexatriacontane Systems at Elevated Temperatures and Pressures. Journal of Chemical & Engineering Data 45 (3), 424‐427.
  • Kontogeorgis, G.M., Michelsen, M.L., Stenby, E.H., 1996. A Generalized Framework for Thermodynamic Models. AIChE Journal 42 (11), 3078-3086.
  • Kontogeorgis, G.M., Yakoumis, I.V., Michelsen, M.L., 2001. Generalized Enthalpy Convergence for Flash Calculations. AIChE Journal 47 (2), 321-329.
  • Michelsen, M.L., 1982a. The Isothermal Flash Problem. I. Stability. Fluid Phase Equilibria 8 (1), 29-48.
  • Michelsen, M.L., 1982b. The Isothermal Flash Problem. II. Phase Split Calculation. Fluid Phase Equilibria 8(1), 49-62.
  • Michelsen, M.L., Fredenslund, A., 1982. Multiparameter Equations of State: An Accurate Source of Thermodynamic Property Data. Industrial & Engineering Chemistry Fundamentals 21 (1), 52-59.
  • Michelsen, M.L., Mollerup, J.M., 2007. Thermodynamic Models: Fundamentals and Computational Aspects. Wiley.
  • Prausnitz, J.M., Lichtenthaler, R.N., de Azevedo, E.G., 1998. Molecular Thermodynamics of Fluid-Phase Equilibria. Prentice Hall.
  • Peng, D.Y., Robinson, D.B., 1976. A New Two-Constant Equation of State. Industrial & Engineering Chemistry Fundamentals 15 (1), 59-64.
  • Pitzer, K.S., Wilson, L.B., 1950. The Volumetric and Thermodynamic Properties of Fluids. I. Theoretical." Journal of the American Chemical Society 72 (8),3300-3307.
  • Soave, G., 1972. Equilibrium Constants from a Modified Redlich-Kwong Equation of State. Chemical Engineering Science 27 (6), 1197-1203.
  • Song, G., Li, H., Li, B., 2017. A New Equation of State for Hydrocarbons with a Simplified Dispersion Term. Fluid Phase Equilibria 443, 1-9.
  • Tassios, D.P., 1989. Equations of State for Mixtures: Present Status and Future Developments. Chemical Engineering Science 44 (8), 1747-1776.
  • Venkatramani, A.V., Okuno, R., 2015. Characterization of water-containing reservoir oil using an EOS for steam injection processes. Journal of Natural Gas Science and Engineering 26, 1091-1106. https://doi.org/10.1016/j.jngse.2015.07.036.
  • Wang, Y., Wu, J., Yang, X., 2015. A New Equation of State for Hydrocarbons with a Modified Attractive Term. Fluid Phase Equilibria 401, 148-160.
  • Wilson, G.M., 1964. Vapor-Liquid Equilibrium. XI. A New Expression for the Excess Gibbs Energy of Partly Miscible Systems. Journal of the American Chemical Society 86 (2), 127-130.
  • Wu, J., Wang, Y., Yang, X., 2015. A New Equation of State for Hydrocarbons with a Modified Dispersion Term. Fluid Phase Equilibria 392, 66-78.
There are 17 citations in total.

Details

Primary Language English
Subjects Geological Sciences and Engineering (Other)
Journal Section Research Articles
Authors

Ekrem Alagoz

Publication Date May 10, 2023
Published in Issue Year 2023 Volume: 5 Issue: 1

Cite

AMA Alagoz E. Development and Analysis of a Program for Phase–Equilibrium Calculations Using the Peng–Robinson Equation of State. IJESKA. May 2023;5(1):51-61.