Semi-theoretical versus entirely empirical: Comparing SAFT + Cubic and Soave-Benedict-Webb-Rubin (SBWR) equations of state

פרסום מחקרי: פרסום בכתב עתמאמרביקורת עמיתים

תקציר

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 SBWRmodel 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.

שפה מקוריתאנגלית
עמודים (מ-עד)11422-11431
מספר עמודים10
כתב עתIndustrial and Engineering Chemistry Research
כרך50
מספר גיליון19
מזהי עצם דיגיטלי (DOIs)
סטטוס פרסוםפורסם - 5 אוק׳ 2011

ASJC Scopus subject areas

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