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Semi-Theoretical Versus Entirely Empirical: Comparing SAFT plus Cubic and Soave-Benedict-Webb-Rubin (SBWR) Equations of State
被引:23
|作者:
Polishuk, Ilya
[1
]
机构:
[1] Ariel Univ, Dept Chem Engn & Biotechnol, Ctr Samaria, IL-40700 Ariel, Israel
关键词:
ISENTROPIC COMPRESSIBILITIES;
THERMODYNAMIC PROPERTIES;
ULTRASONIC VELOCITY;
BINARY-MIXTURES;
N-HEXADECANE;
PRESSURES;
TEMPERATURES;
DENSITY;
SPEEDS;
HEXANE;
D O I:
10.1021/ie201306z
中图分类号:
TQ [化学工业];
学科分类号:
0817 ;
摘要:
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.
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页码:11422 / 11431
页数:10
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