Optimization of the quintic equation of the state based model for the calculations of different thermodynamic properties

• Authors: Antoni Kozioł , Radosław Wiśniewski
• Languages of publication: EN

Abstracts

EN

Different thermodynamic properties (the vapour density, the liquid density and the saturation pressure) were calculated by the model based on the Nakamura-Breedveld-Prausnitz equation of state (NBP EOS). Since the original form of the NBP EOS often generates inaccurate results for liquids, it was modified to describe this phase better. The calculations were realized in the subcritical region. So far, the temperature-dependent NBP EOS parameters have been obtained by special correlations. Their constants were fitted to a lot of experimental data. In this paper the equation of state temperature-dependent parameters were obtained by a new method which was based at piecewise cubic Hermite interpolating polynomials (PCHIPs). In the proposed method some experimental data (called the key ones) were used, thus reducing the experimental effort. Seven substances were chosen for the test calculations. Each of them is common in industry. The calculation results were compared with the experimental data. The new method has made an accurate description of vapour-liquid equilibrium for the considered pure substances over a wide temperature range possible.

Keywords

EN

NBP equation of state; vapour-liquid equilibrium; cubic Hermite polynomials

• Publisher: De Gruyter Open
• Journal: Polish Journal of Chemical Technology
• Year: 2008
• Volume: 10
• Issue: 1
• Pages: 6-10

Dates

published

1 - 1 - 2008

online

3 - 4 - 2008

Contributors

author

Antoni Kozioł

• Faculty of Chemistry, Division of Chemical and Biochemical Processes, Technical University of Wroclaw, Norwida 4/6, 50-373 Wroclaw, Poland

author

Radosław Wiśniewski

• Faculty of Chemistry, Division of Chemical and Biochemical Processes, Technical University of Wroclaw, Norwida 4/6, 50-373 Wroclaw, Poland

References

• Peng, Y. & Robinson, B. (1976). A New Two-Constant Equation Of State, Ind. Eng. Chem. Fundam., 15, 58 - 64.
• Soave, G. (1972). Equilibrium Constants From A Modified Redlich-Kwong Equation Of State, Chem. Eng. Sci., 27, 1197 - 1203.
• Elliott, J., Suresh S. & Donohue, M. (1990). A Simple Equation Of State For Nonspherical And Associating Molecules, Ind. Eng. Chem. Res., 29, 1476 - 1485.
• Wisniewski, R. & Koziol, A. (2005). Modelling Of Vapour-Liquid Equilibrium For Normal And Highly Non-Ideal Mixtures By Cubic Equations Of State And Mixing Rules, A. Chem. Proc. Eng., 26, 681 - 696.
• Pazuki, G. R. & Nikookar, M. (2006). A New Local Composition Model For Predicting Of Activity Coefficient And Solubility Of Amino Acids And Peptides In Water, Biochemical Engineering Journal, 28, 44 - 49.
• I-Min, S., Wen-Lu, W. & Ming-Chung, W. (2000). An Activity Coefficient Model For Predicting Salt Effects On Vapor-Liquid Equilibria Of Mixed Solvent Systems, Fluid Phase Equilibria, 170, 297 - 308.
• Prasanna, K. Jog & Walter, G. Chapman (1999). Application Of Wertheim's Thermodynamic Perturbation Theory To Dipolar Hard Sphere Chains, Molecular Physics, 97, 307 - 319.
• Bureau, N., Jose, J., Mokbel, I. & Dehemptinne, J.-C. (2001). Molecular Modeling Of Isomer Effects In Naphthenic And Aromatic Hydrocarbons. J. Chem. Thermo., 33, 1485 - 1498.
• Nakamura, R., Breedveld, G. & Prausnitz, J. (1976). Thermodynamic Properties Of Gas Mixtures Containing Common Polar And Nonpolar Components, Ind. Eng. Chem. Proc. Des. Dev., 15, 557 - 564.
• Kozioł, A. (2005). Application Of Various Equations Of State To Description Of Supercritical Fluids, Chemical And Process Engineering, 26, 727 - 734.
• Lemmon, E., Mclinden, M. & Friend, D. (June 2005). Thermophysical Properties Of Fluid Systems In Nist Chemistry Webbook, Nist Standard Reference Database Number 69, Eds. P. J. Linstrom And W. G. Mallard, National Institute Of Standards And Technology, Gaithersburg Md, 20899 (Http://Webbook.Nist.Gov).
• Coleman, F. & Li, Y. (1994) On The Convergence Of Reflective Newton Methods For Large Scale Nonlinear Minimization Subject To Bounds, Mathematical Programming, 67, 189 - 224.
• Moler, C., (2004) Numerical Computing With Matlab, Society For Industrial & Applied Mathematics, 3, 8.
• Kahaner, D., Moler, C. & Nash, S. (1988) Numerical Methods And Software, Prentice Hall.

Identifiers

DOI

10.2478/v10026-008-0002-x