TY - JOUR
T1 - Semi-theoretical versus entirely empirical
T2 - Comparing SAFT + Cubic and Soave-Benedict-Webb-Rubin (SBWR) equations of state
AU - Polishuk, Ilya
PY - 2011/10/5
Y1 - 2011/10/5
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=83655207518&partnerID=8YFLogxK
U2 - 10.1021/ie201306z
DO - 10.1021/ie201306z
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AN - SCOPUS:83655207518
SN - 0888-5885
VL - 50
SP - 11422
EP - 11431
JO - Industrial and Engineering Chemistry Research
JF - Industrial and Engineering Chemistry Research
IS - 19
ER -