Pure and Pseudo-pure Fluid Thermophysical Property Evaluation and the Open-Source Thermophysical Property Library CoolProp

Bell, Ian; Wronski, Jorrit; Quoilin, Sylvain; Lemort, Vincent

doi:10.1021/ie4033999

Article (Scientific journals)

Pure and Pseudo-pure Fluid Thermophysical Property Evaluation and the Open-Source Thermophysical Property Library CoolProp

Bell, Ian; Wronski, Jorrit; Quoilin, Sylvain et al.

2014 • In Industrial and Engineering Chemistry Research, 53, p. 2498-2508

Peer Reviewed verified by ORBi

Permalink
https://hdl.handle.net/2268/163813

DOI
10.1021/ie4033999

PubMed
24623957

Files (1)Send to Details Statistics Bibliography Similar publications

Files

Full Text

ie4033999.pdf

Publisher postprint (2.08 MB)

Download

All documents in ORBi are protected by a user license.

Send to

RIS BibTex APA Chicago Permalink X Linkedin

Details

Abstract :

[en] Article Pure and Pseudo-pure Fluid Thermophysical Property Evaluation and the Open-Source Thermophysical Property Library CoolProp ACS ActiveView PDFHi-Res Print, Annotate, Reference QuickView PDF [2027 KB] PDF w/ Links[457 KB] Full Text HTML Abstract Supporting Info -> Figures Reference QuickView Add to ACS ChemWorx Ian H. Bell *†, Jorrit Wronski *‡, Sylvain Quoilin *†, and Vincent Lemort *† † Energy Systems Research Unit, University of Liège, Liège, Belgium ‡ Department of Mechanical Engineering, Technical University of Denmark, Kongens Lyngby, Denmark Ind. Eng. Chem. Res., 2014, 53 (6), pp 2498–2508 DOI: 10.1021/ie4033999 Publication Date (Web): January 13, 2014 Copyright © 2014 American Chemical Society OpenURL UNIV DE LIEGE *E-mail: ian.bell@ulg.ac.be., *E-mail: jowr@mek.dtu.dk., *E-mail: squoilin@ulg.ac.be., *E-mail: vincent.lemort@ulg.ac.be. ACS AuthorChoice Abstract Over the last few decades, researchers have developed a number of empirical and theoretical models for the correlation and prediction of the thermophysical properties of pure fluids and mixtures treated as pseudo-pure fluids. In this paper, a survey of all the state-of-the-art formulations of thermophysical properties is presented. The most-accurate thermodynamic properties are obtained from multiparameter Helmholtz-energy-explicit-type formulations. For the transport properties, a wider range of methods has been employed, including the extended corresponding states method. All of the thermophysical property correlations described here have been implemented into CoolProp, an open-source thermophysical property library. This library is written in C++, with wrappers available for the majority of programming languages and platforms of technical interest. As of publication, 110 pure and pseudo-pure fluids are included in the library, as well as properties of 40 incompressible fluids and humid air. The source code for the CoolProp library is included as an electronic annex.

Disciplines :

Chemical engineering

Author, co-author :

Bell, Ian ; Université de Liège - ULiège > Département d'aérospatiale et mécanique > Systèmes énergétiques

Wronski, Jorrit; Technical University of Denmark

Quoilin, Sylvain ; Université de Liège - ULiège > Département d'aérospatiale et mécanique > Systèmes énergétiques

Lemort, Vincent ; Université de Liège - ULiège > Département d'aérospatiale et mécanique > Systèmes énergétiques

Language :

English

Title :

Pure and Pseudo-pure Fluid Thermophysical Property Evaluation and the Open-Source Thermophysical Property Library CoolProp

Publication date :

2014

Journal title :

Industrial and Engineering Chemistry Research

ISSN :

0888-5885

eISSN :

1520-5045

Publisher :

American Chemical Society, Washington, United States - District of Columbia

Volume :

Pages :

2498-2508

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 03 March 2014

Statistics

Number of views

391 (12 by ULiège)

Number of downloads

302 (6 by ULiège)

More statistics

Scopus citations^®

1866

Scopus citations^®
without self-citations

1789

OpenCitations

1120

OpenAlex citations

1894

Bibliography

Lemmon, E., Huber, M., and McLinden, M. NIST Standard Reference Database 23: Reference Fluid Thermodynamic and Transport Properties-REFPROP, Version 9.1. 2013.
Kunz, O., Klimeck, R., Wagner, W., and Jaeschke, M. The GERG-2004 Wide-Range Equation of State for Natural Gases and Other Mixtures; VDI Verlag GmbH: Düsseldorf, 2007.
Kunz, O.; Wagner, W. The GERG-2008 Wide-Range Equation of State for Natural Gases and Other Mixtures: An Expansion of GERG-2004 J. Chem. Eng. Data 2012, 57, 3032-3091
Lemmon, E. W.; Jacobsen, R. T. A Generalized Model for the Thermodynamic Properties of Mixtures Int. J. Thermophys. 1999, 20, 825-835
Lemmon, E.; Jacobsen, R. T.; Penoncello, S. G.; Friend, D. Thermodynamic Properties of Air and Mixtures of Nitrogen, Argon, and Oxygen from 60 to 2000 K at Pressures to 2000 MPa J. Phys. Chem. Ref. Data 2000, 29, 331-385
Lemmon, E. W.; Jacobsen, R. T. Equations of State for Mixtures of R-32, R-125, R-134a, R-143a, and R-152a J. Phys. Chem. Ref. Data 2004, 33, 593-620
Span, R.; Wagner, W. Equations of State for Technical Applications. III. Results for Polar Fluids Int. J. Thermophys. 2003, 24, 111-162
Span, R.; Wagner, W. Equations of State for Technical Applications. II. Results for Nonpolar Fluids Int. J. Thermophys. 2003, 24, 41-109
Span, R.; Wagner, W.; Lemmon, E.; Jacobsen, R. Multiparameter Equations of State-Recent Trends and Future Challenges Fluid Phase Equilib. 2001, 183-184, 1-20
Guder, C.; Wagner, W. A Reference Equation of State for the Thermodynamic Properties of Sulfur Hexafluoride SF6 for Temperatures from the Melting Line to 625 K and Pressures up to 150 MPa J. Phys. Chem. Ref. Data 2009, 38, 33-94
Leachman, J.; Jacobsen, R.; Penoncello, S.; Lemmon, E. Fundamental Equations of State for Parahydrogen, Normal Hydrogen, and Orthohydrogen J. Phys. Chem. Ref. Data 2009, 38, 721-748
Lemmon, E. W.; McLinden, M. O.; Wagner, W. Thermodynamic Properties of Propane. III. A Reference Equation of State for Temperatures from the Melting Line to 650 K and Pressures up to 1000 MPa J. Chem. Eng. Data 2009, 54, 3141-3180
Buecker, D.; Wagner, W. A Reference Equation of State for the Thermodynamic Properties of Ethane for Temperatures from the Melting Line to 675 K and Pressures up to 900 MPa J. Phys. Chem. Ref. Data 2006, 35, 205-266
Buecker, D.; Wagner, W. Reference Equations of State for the Thermodynamic Properties of Fluid Phase n -Butane and Isobutane J. Phys. Chem. Ref. Data 2006, 35, 929-1019
Lemmon, E. W.; Jacobsen, R. T. A New Functional Form and New Fitting Techniques for Equations of State with Application to Pentafluoroethane (HFC-125) J. Phys. Chem. Ref. Data 2005, 34, 69-108
Schroeder, J. A. A New Fundamental Equation for Ethanol. M.Sc. thesis, University of Idaho, Moscow, ID, 2011.
Span, R.; Lemmon, E. W.; Jacobsen, R. T.; Wagner, W.; Yokozeki, A. A Reference Equation of State for the Thermodynamic Properties of Nitrogen for Temperatures from 63.151 to 1000 K and Pressures to 2200 MPa J. Phys. Chem. Ref. Data 2000, 29, 1361-1433
Gedanitz, H.; Dávila, M. J.; Lemmon, E. W. Speed of sound measurements and a fundamental equation of state for cyclopentane. To be published, preprint provided by Eric Lemmon.
Ortiz-Vega, D.; Hall, K.; Arp, V.; Lemmon, E. Unpublished: coefficients from REPROP with permission.
Lemmon, E.; Overhoff, U.; McLinden, M.; Wagner, W. Personal communication with Eric Lemmon.
McLinden, M.; Lemmon, E. Thermodynamic Properties of R-227ea, R-365mfc, R-115, and R-13I1. J. Chem. Eng. Data To be submitted.
Thol, M.; Lemmon, E. W.; Span, R. Unpublished.
Bell, I. CoolProp: An open-source thermophysical property library. 2013, http://coolprop.sf.net (accessed).
Klein, S. Engineering Equation Solver; F-Chart Software: Madison, WI, 2010.
Wagner, W. http://www.thermo.rub.de/en/prof-w-wagner/software/fluidcal. html (accessed).
Kretzschmar, H.-J.; Stöcker, I. http://thermodynamik.hs-zigr.de/ cmsfg/Stoffwertbibliothek/index.php (accessed).
Pye, J. http://ascend4.org/FPROPS (accessed).
Thorade, M. https://github.com/thorade/HelmholtzMedia (accessed).
Span, R. Multiparameter Equations of State; Springer: New York, 2000.
Bender, E. Equations of State Exactly Representing the Phase Behavior of Pure Substances. Proceedings of the Fifth Symposium on Thermophys. Prop., ASME, New York, 1970.
Thorade, M.; Saadat, A. Partial Derivatives of Thermodynamic State Properties for Dynamic Simulation Environ. Earth Science 2013, 70, 3497
Span, R.; Lemmon, E. W.; Jacobsen, R. T.; Wagner, W.; Yokozeki, A. A Reference Equation of State for the Thermodynamic Properties of Nitrogen for Temperatures from 63.151 to 1000 K and Pressures to 2200 K J. Phys. Chem. Ref. Data 2000, 29, 1361-1433
Wagner, W.; Pruss, A. The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use J. Phys. Chem. Ref. Data 2002, 31, 387-535
de Reuck, K.; Craven, R. Methanol: International Thermodynamic Tables of the Fluid State-12; Blackwell Scientific Publications: Hoboken, NJ, 1993.
Miyagawa, K.; Hill, P. Rapid and Accurate Calculation of Water and Steam Properties Using the Tabular Taylor Series Expansion Method J. Eng. Gas Turbines Power 2001, 123, 707-712
Aly, F. A.; Lee, L. L. Self-Consistent Equations for Calculating the Ideal Gas Specific Heat Capacity, Enthalpy, and Entropy Fluid Phase Equilib. 1981, 6, 169-179
Akasaka, R. A Reliable and Useful Method to Determine the Saturation State from Helmholtz Energy Equations of State J. Thermal Sci. Technol. 2008, 3, 442-451
Brent, R. Algorithms for Minimization without Derivatives; Prentice-Hall: Englewood Cliffs, NJ, 1973; Chapter 4.
Huber, M.; Perkins, R.; Laesecke, A.; Friend, D.; Sengers, J.; Assael, M.; Metaxa, I.; Vogel, E.; Mareš, R.; Miyagawa, K. New International Formulation for the Viscosity of H2O J. Phys. Chem. Ref. Data 2009, 38, 101-125
Vesovic, V.; Wakeham, W.; Olchowy, G.; Sengers, J.; Watson, J.; Millat, J. The Transport Properties of Carbon Dioxide J. Phys. Chem. Ref. Data 1990, 19, 763-808
Neufeld, P. D.; Janzen, A. R.; Aziz, R. A. Empirical Equations to Calculate 16 of the Transport Collision Integrals (l,s)* for the Lennard-Jones (12-6) Potential J. Chem. Phys. 1972, 57, 1100-1102
Vogel, E.; Küchenmeister, C.; Bich, E.; Laesecke, A. Reference Correlation of the Viscosity of Propane J. Phys. Chem. Ref. Data 1998, 27, 947-970, 5
Vogel, E.; Kuechenmeister, C.; Bich, E. Viscosity for n -Butane in the Fluid Region High Temp.-High Pressures 1999, 31, 173-186
Vogel, E.; Kuechenmeister, C.; Bich, E. Viscosity Correlation for Isobutane over Wide Ranges of the Fluid Region Int. J. Thermophys 2000, 21, 343-356
Friend, D. G.; Rainwater, J. C. Transport Properties of a Moderately Dense Gas Chem. Phys. Lett. 1984, 107, 590-594
Rainwater, J. C.; Friend, D. G. Second Viscosity and Thermal-Conductivity Virial Coefficients of Gases: Extension to Low Reduced Temperature Phys. Rev. A 1987, 36, 4062-4066
Batschinski, A. Untersuchungen iiber die innere Reibung der Flussigkeiten Z. Phys. Chem. 1913, 84, 643-706
Hildebrand, J. Motions of Molecules in Liquids: Viscosity and Diffusivity Science 1971, 174, 490-493
Kiselev, S. B.; Ely, J. F.; Abdulagatov, I. M.; Huber, M. L. Generalized SAFT-DFT/DMT Model for the Thermodynamic, Interfacial, and Transport Properties of Associating Fluids: Application for n -Alkanols Ind. Eng. Chem. Res. 2005, 44, 6916-6927
Quiñones-Cisneros, S. E.; Schmidt, K. A. G.; Giri, B. R.; Blais, P.; Marriott, R. A. Reference Correlation for the Viscosity Surface of Hydrogen Sulfide J. Chem. Eng. Data 2012, 57, 3014-3018
Quiñones-Cisneros, S.; Huber, M.; Deiters, U. Correlation for the Viscosity of Sulfur Hexafluoride (SF6) from the Triple Point to 1000 K and Pressures to 50 MPa J. Phys. Chem. Ref. Data 2012, 41, 023102-1:11
Olchowy, G. A.; Sengers, J. V. A Simplified Representation for the Thermal Conductivity of Fluids in the Critical Region Int. J. Thermophys. 1989, 10, 417-426
Huber, M. L.; Laesecke, A.; Perkins, R. A. Model for the Viscosity and Thermal Conductivity of Refrigerants, Including a New Correlation for the Viscosity of R134a Ind. Eng. Chem. Res. 2003, 42, 3163-3178
Mulero, A.; Cachadiña, I.; Parra, M. I. Recommended Correlations for the Surface Tension of Common Fluids J. Phys. Chem. Ref. Data 2012, 41, 043105-1:13
Lemmon, E.; Huber, M.; McLinden, M. NIST Standard Reference Database 23: Reference Fluid Thermodynamic and Transport Properties-REFPROP, Version 9.0. 2010.
Miqueu, C.; Broseta, D.; Satherley, J.; Mendiboure, B.; Lachaise, J.; Graciaa, A. An Extended Scaled Equation for the Temperature Dependence of the Surface Tension of Pure Compounds Inferred from an Analysis of Experimental Data Fluid Phase Equilib. 2000, 172, 169-182
Kamei, A.; Beyerlein, S. W.; Jacobsen, R. T. Application of Nonlinear Regression in the Development of a Wide Range Formulation for HCFC-22 Int. J. Thermophys. 1995, 16, 1155-1164
Marsh, K. N.; Perkins, R. A.; Ramires, M. L. V. Measurement and Correlation of the Thermal Conductivity of Propane from 86 to 600 K at Pressures to 70 MPa J. Chem. Eng. Data 2002, 47, 932-940
Huber, M. L.; Laesecke, A.; Perkins, R. A. Model for the Viscosity and Thermal Conductivity of Refrigerants, Including a New Correlation for the Viscosity of R134a Ind. Eng. Chem. Res. 2003, 42, 3163-3178
Huber, M.; Hanley, H. In The Corresponding-States Principle: Dense Fluids; Millat, J.; Dymond, J.; de Castro, C. N., Eds.; Cambridge University Press: Cambridge, U.K., 1996; Chapter 12, pp 283-309.
Estela-Uribe, J.; Trusler, J. Extended Corresponding States Model for Fluids and Fluid Mixtures I. Shape Factor Model for Pure Fluids Fluid Phase Equilib. 2003, 204, 15-40
McLinden, M. O.; Klein, S. A.; Perkins, R. A. An Extended Corresponding States Model for the Thermal Conductivity of Refrigerants and Refrigerant Mixtures Int. J. Refrig. 2000, 23, 43-63
Huber, M. L.; Ely, J. F. Prediction of Viscosity of Refrigerants and Refrigerant Mixtures Fluid Phase Equilib. 1992, 80, 239-248
Chung, T.-H.; Ajlan, M.; Lee, L. L.; Starling, K. E. Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties Ind. Eng. Chem. Res. 1988, 27, 671-679
Chichester, J. C.; Huber, M. L. NISTIR 6650: Documentation and Assessment of the Transport Property Model for Mixtures Implemented in NIST REFPROP (Version 8.0); June 2008.
Poling, B. E.; Prausnitz, J. M.; O'Connell, J. P. The Properties of Gases and Liquids, 5 th ed.; McGraw Hill: New York, 2001.
Klein, S.; McLinden, M.; Laesecke, A. An Improved Extended Corresponding States Method for Estimation of Viscosity of Pure Refrigerants and Mixtures Int. J. Refrig. 1997, 20, 208-217
Melinder, Å. Properties of Secondary Working Fluids for Indirect Systems; International Institute of Refrigeration: Paris, 2010.
Herrmann, S.; Kretzschmar, H.-J.; Gatley, D. ASHRAE RP-1485: Thermodynamic Properties of Real Moist Air, Dry Air, Steam, Water, and Ice. ASHRAE 2010 Winter Conference, Orlando, FL, Jan. 23-27, 2009.