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| A Comparative Study on the Prediction Methods of Vapor-liquid Equilibria of CO2-based Mixtures |
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Abstract To study the performance and reliability of the prediction methods for vapor-liquid equilibria properties of CO2-based mixtures, three different prediction methods (PRvdW equation of state method, PSRK group contribution method, and COSMO method) are established to predict the vapor-liquid phase equilibria properties of 17 CO2-based mixtures and the results are compared with the published experimental data. The calculation results show that the accuracy of the PSRK model and the PRvdW model is similar. Both are superior to the COSMO model. For the CO2+HCs mixtures, the calculation error of the COSMO model increases with the increase of the number of carbon atoms in the other working fluid, and the source of the error is analyzed by the simulation of excess Gibbs free energy. Finally, the three models combined with the azeotropic point criterion are successfully used to predict the azeotropic point of CO2+ethane mixture.
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Received: 01 November 2024
Published: 03 April 2025
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2025, Vol. 46 
