TY - JOUR
T1 - Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of eight 1-alkenes and their mixtures
AU - Polishuk, Ilya
AU - Perel, Ariel
N1 - Funding Information:
Acknowledgment is made to the Donors of the American Chemical Society Petroleum Research Fund for support of this research, Grant No. PRF#47338-B6.
PY - 2012/11
Y1 - 2012/11
N2 - In the current study the widely used theoretically based model PC-SAFT and the recently proposed SAFT + Cubic have been implemented for correlating and predicting various thermodynamic properties of 1-Hexene, 1-Heptene, 1-Octene, 1-Nonene, 1-Decene, 1-Dodecene, 1-Tetradecene, and 1-Hexadecene, and the available high pressure data on their mixtures. Unlike PC-SAFT, SAFT + Cubic is capable of correlating the critical and subcritical pure compound data simultaneously. In addition, SAFT + Cubic is advantageous in predicting the isothermal compressibility factors and sound velocities. It is also superior in correlating the complex phase behavior in the asymmetric systems {Methane(1) + 1-Hexene(2)} and {Methane(1) + 1-Heptene(2)}. Overestimation of critical temperatures and pressures affects the accuracy of PC-SAFT in predicting VLE in the system {n-Hexane(1) + 1-Hexadecene(2)}. At the same time, this disadvantage of PC-SAFT possibly turns into advantage while modeling the VLE data of {Carbon Dioxide(1) + 1-Hexene(2)}. As seems, both of them are capable of only rough estimation of the heat capacity data.
AB - In the current study the widely used theoretically based model PC-SAFT and the recently proposed SAFT + Cubic have been implemented for correlating and predicting various thermodynamic properties of 1-Hexene, 1-Heptene, 1-Octene, 1-Nonene, 1-Decene, 1-Dodecene, 1-Tetradecene, and 1-Hexadecene, and the available high pressure data on their mixtures. Unlike PC-SAFT, SAFT + Cubic is capable of correlating the critical and subcritical pure compound data simultaneously. In addition, SAFT + Cubic is advantageous in predicting the isothermal compressibility factors and sound velocities. It is also superior in correlating the complex phase behavior in the asymmetric systems {Methane(1) + 1-Hexene(2)} and {Methane(1) + 1-Heptene(2)}. Overestimation of critical temperatures and pressures affects the accuracy of PC-SAFT in predicting VLE in the system {n-Hexane(1) + 1-Hexadecene(2)}. At the same time, this disadvantage of PC-SAFT possibly turns into advantage while modeling the VLE data of {Carbon Dioxide(1) + 1-Hexene(2)}. As seems, both of them are capable of only rough estimation of the heat capacity data.
KW - Density
KW - Equation of state
KW - Olefins
KW - Sound velocity
KW - Statistical association fluid theory
UR - http://www.scopus.com/inward/record.url?scp=84863722255&partnerID=8YFLogxK
U2 - 10.1016/j.jct.2012.03.023
DO - 10.1016/j.jct.2012.03.023
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AN - SCOPUS:84863722255
SN - 0021-9614
VL - 54
SP - 155
EP - 164
JO - Journal of Chemical Thermodynamics
JF - Journal of Chemical Thermodynamics
ER -