화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.50, No.19, 11422-11431, 2011
Semi-Theoretical Versus Entirely Empirical: Comparing SAFT plus Cubic and Soave-Benedict-Webb-Rubin (SBWR) Equations of State
In the current study, the Soave-Benedict-Webb-Rubin (SBWR) and Statistical Association Fluid Theory (SAFT) + Cubic equation-of-state (EOS) models are implemented for predicting thermodynamic properties of the mixtures of 1-decanol with n-alkanes, cyclohexane, chloroform, and chlorobenzene. The pertinent pure compound density and sound velocity data in a broad pressure range also are considered. It is demonstrated that the SBWR model is advantageous in modeling the pure-compound vapor pressures and phase envelop densities. However, it fails to estimate other thermodynamic properties, such as the high-pressure densities, sound velocities, and isentropic compressibilites accurately. Being less precise in modeling the pure-compound vapor liquid equilibrium (VLE), the SAFT + Cubic model exhibits an overall robustness in predicting various thermodynamic properties over a wide range of temperatures and pressures, with the exception of certain phenomena related to heat capacities. This robustness also is preserved in the case of the mixtures.