Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. I. 11 halomethanes

Ilya Polishuk; Maxim Katz; Yulia Levi; Helena Lubarsky

doi:https://doi.org/10.1016/j.fluid.2011.12.003

Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. I. 11 halomethanes

Ilya Polishuk, Maxim Katz, Yulia Levi, Helena Lubarsky

Department of Chemical Engineering

Ariel University

Research output: Contribution to journal › Article › peer-review

Abstract

In the current study the widely implemented theoretically based model PC-SAFT and the recently proposed SAFT + Cubic have been applied for correlating and predicting various thermodynamic properties of 11 halomethanes. It has been found that thanks to the correct estimation of the experimental critical temperatures and pressures, SAFT + Cubic exhibits a superior robustness and reliability in modeling both pure compounds under consideration and their mixtures. In addition, SAFT + Cubic has a clear advantage in predicting sound velocities and isochoric heat capacities. However PC-SAFT is more accurate in modeling certain kinds of data, such as the isobaric heat capacities of saturated liquids and vapor pressures away from the critical points.

Original language	English
Pages (from-to)	66-73
Number of pages	8
Journal	Fluid Phase Equilibria
Volume	316
DOIs	https://doi.org/10.1016/j.fluid.2011.12.003
State	Published - 25 Feb 2012

Keywords

Density
Equation of state
Refrigerants
Sound velocity
Statistical association fluid theory

All Science Journal Classification (ASJC) codes

General Chemical Engineering
General Physics and Astronomy
Physical and Theoretical Chemistry

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https://doi.org/10.1016/j.fluid.2011.12.003

Cite this

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title = "Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. I. 11 halomethanes",

abstract = "In the current study the widely implemented theoretically based model PC-SAFT and the recently proposed SAFT + Cubic have been applied for correlating and predicting various thermodynamic properties of 11 halomethanes. It has been found that thanks to the correct estimation of the experimental critical temperatures and pressures, SAFT + Cubic exhibits a superior robustness and reliability in modeling both pure compounds under consideration and their mixtures. In addition, SAFT + Cubic has a clear advantage in predicting sound velocities and isochoric heat capacities. However PC-SAFT is more accurate in modeling certain kinds of data, such as the isobaric heat capacities of saturated liquids and vapor pressures away from the critical points.",

keywords = "Density, Equation of state, Refrigerants, Sound velocity, Statistical association fluid theory",

author = "Ilya Polishuk and Maxim Katz and Yulia Levi and Helena Lubarsky",

note = "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 .",

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doi = "https://doi.org/10.1016/j.fluid.2011.12.003",

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T1 - Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. I. 11 halomethanes

AU - Polishuk, Ilya

AU - Katz, Maxim

AU - Levi, Yulia

AU - Lubarsky, Helena

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 - 2012/2/25

Y1 - 2012/2/25

N2 - In the current study the widely implemented theoretically based model PC-SAFT and the recently proposed SAFT + Cubic have been applied for correlating and predicting various thermodynamic properties of 11 halomethanes. It has been found that thanks to the correct estimation of the experimental critical temperatures and pressures, SAFT + Cubic exhibits a superior robustness and reliability in modeling both pure compounds under consideration and their mixtures. In addition, SAFT + Cubic has a clear advantage in predicting sound velocities and isochoric heat capacities. However PC-SAFT is more accurate in modeling certain kinds of data, such as the isobaric heat capacities of saturated liquids and vapor pressures away from the critical points.

AB - In the current study the widely implemented theoretically based model PC-SAFT and the recently proposed SAFT + Cubic have been applied for correlating and predicting various thermodynamic properties of 11 halomethanes. It has been found that thanks to the correct estimation of the experimental critical temperatures and pressures, SAFT + Cubic exhibits a superior robustness and reliability in modeling both pure compounds under consideration and their mixtures. In addition, SAFT + Cubic has a clear advantage in predicting sound velocities and isochoric heat capacities. However PC-SAFT is more accurate in modeling certain kinds of data, such as the isobaric heat capacities of saturated liquids and vapor pressures away from the critical points.

KW - Density

KW - Equation of state

KW - Refrigerants

KW - Sound velocity

KW - Statistical association fluid theory

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M3 - مقالة

SN - 0378-3812

VL - 316

SP - 66

EP - 73

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

ER -

Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. I. 11 halomethanes

Abstract

Keywords

All Science Journal Classification (ASJC) codes

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