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

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.

[1]  Cornelia Küchenmeister,et al.  Viscosity Correlation for Isobutane over Wide Ranges of the Fluid Region1 , 2000 .

[2]  S. Klein,et al.  An improved extended corresponding states method for estimation of viscosity of pure refrigerants and mixtures , 1997 .

[3]  Eric W. Lemmon,et al.  A Generalized Model for the Thermodynamic Properties of Mixtures , 1999 .

[4]  Thomas J. Bruno,et al.  Model for the Thermodynamic Properties of a Biodiesel Fuel , 2009 .

[5]  Eric W. Lemmon,et al.  Thermodynamic Properties of o-Xylene, m-Xylene, p-Xylene, and Ethylbenzene , 2012 .

[6]  S. G. Penoncello,et al.  A generalized model for viscosity and thermal conductivity of trifluoromethane (R-23) , 2000 .

[7]  R. Marriott,et al.  Reference Correlation for the Viscosity Surface of Hydrogen Sulfide , 2012 .

[8]  W. Wagner,et al.  Equations of State for Technical Applications. III. Results for Polar Fluids , 2003 .

[9]  Yoshiaki Tanaka,et al.  Thermal conductivity and viscosity of 2,2-dichloro-1,1,1-trifluoroethane (HCFC-123) , 1996 .

[10]  S. Klein,et al.  An extended corresponding states model for the thermal conductivity of refrigerants and refrigerant mixtures , 2000 .

[11]  Eric W. Lemmon,et al.  A New Functional Form and New Fitting Techniques for Equations of State with Application to Pentafluoroethane (HFC-125) , 2005 .

[12]  Jan V. Sengers,et al.  A simplified representation for the thermal conductivity of fluids in the critical region , 1989 .

[13]  R. Perkins,et al.  Measurement and Correlation of the Thermal Conductivity of Propane from 86 K to 600 K at Pressures to 70 MPa , 2002 .

[14]  Daniel G. Friend,et al.  Thermophysical Properties of Ethane , 1991 .

[15]  Chris D. Muzny,et al.  Erratum: Correlation for the Viscosity of Normal Hydrogen Obtained from Symbolic Regression , 2013, Journal of Chemical & Engineering Data.

[16]  Alberto Guardone,et al.  Multiparameter equations of state for selected siloxanes , 2006 .

[17]  R. Reid,et al.  The Properties of Gases and Liquids , 1977 .

[18]  Eric W. Lemmon,et al.  Thermodynamic Properties of n-Dodecane , 2004 .

[19]  S. Quoilin,et al.  CoolProp: An open-source reference-quality thermophysical property library , 2013 .

[20]  A. Yokozeki,et al.  Viscosity of Mixed Refrigerants, R404A, R407C, R410A, and R507C , 2000 .

[21]  R. Heide,et al.  The surface tension of HFC refrigerants and mixtures , 1997 .

[22]  K. Kobe The properties of gases and liquids , 1959 .

[23]  Ryo Akasaka,et al.  A Reliable and Useful Method to Determine the Saturation State from Helmholtz Energy Equations of State , 2008 .

[24]  Radim Mareš,et al.  New International Formulation for the Viscosity of H2O , 2009 .

[25]  Xianyang Meng,et al.  Experimental Measurement and Modeling of the Viscosity of Dimethyl Ether , 2012 .

[26]  R. A. Aziz,et al.  Empirical Equations to Calculate 16 of the Transport Collision Integrals Ω(l, s)* for the Lennard‐Jones (12–6) Potential , 1972 .

[27]  Eric W. Lemmon,et al.  Thermodynamic Properties of 2,3,3,3-Tetrafluoroprop-1-ene (R1234yf): Vapor Pressure and p–ρ–T Measurements and an Equation of State , 2011 .

[28]  R. Brent Table errata: Algorithms for minimization without derivatives (Prentice-Hall, Englewood Cliffs, N. J., 1973) , 1975 .

[29]  S. G. Penoncello,et al.  Thermodynamic Properties of Air and Mixtures of Nitrogen, Argon, and Oxygen From 60 to 2000 K at Pressures to 2000 MPa , 2000 .

[30]  R. Perkins,et al.  Measurement and Correlation of the Thermal Conductivity of Isobutane from 114 K to 600 K at Pressures to 70 MPa† , 2022 .

[31]  P. Schley,et al.  Ideal-gas thermodynamic properties for natural-gas applications , 1995 .

[32]  P. G. Hill,et al.  Rapid and Accurate Calculation of Water and Steam Properties Using the Tabular Taylor Series Expansion Method , 2001 .

[33]  R. Tillner-Roth,et al.  An International Standard Equation of State for Difluoromethane (R-32) for Temperatures from the Triple Point at 136.34 K to 435 K and Pressures up to 70 MPa , 1997 .

[34]  M. L. Huber,et al.  Transport Properties of Fluids: The Corresponding–States Principle: Dense Fluids , 1996 .

[35]  Cornelia Küchenmeister,et al.  Viscosity correlation for n-butane in the fluid region , 1999 .

[36]  Marcia L. Huber,et al.  Viscosity correlations for minor constituent fluids in natural gas: n-octane, n-nonane and n-decane , 2004 .

[37]  Roland Span,et al.  Thermodynamic Properties of R-227ea, R-365mfc, R-115, and R-13I1 , 2015 .

[38]  Alberto Guardone,et al.  Multiparameter equations of state for siloxanes: [(CH3)3-Si-O1/2]2-[O-Si-(CH3)2]i=1,…,3, and [O-Si-(CH3)2]6 , 2008 .

[39]  M. J. Assael,et al.  Reference Correlation of the Thermal Conductivity of Methanol from the Triple Point to 660 K and up to 245 MPa , 2013 .

[40]  Marcia L. Huber,et al.  Reference Correlation of the Thermal Conductivity of Toluene from the Triple Point to 1000 K and up to 1000 MPa , 2013 .

[41]  Marcia L. Huber,et al.  Documentation and Assessment of the Transport Property Model for Mixtures Implemented in NIST REFPROP (Version 8.0) , 2008 .

[42]  Cornelia Küchenmeister,et al.  Reference Correlation of the Viscosity of Propane , 1998 .

[43]  I. S. Aleksandrov,et al.  Using fundamental equations of state for calculating the thermodynamic properties of normal undecane , 2011 .

[44]  Marcia L. Huber,et al.  Correlation of the Thermal Conductivity of Normal and Parahydrogen from the Triple Point to 1000 K and up to 100 MPaa) , 2011 .

[45]  Richard T. Jacobsen,et al.  Thermodynamic Properties of Neon for Temperatures from the Triple Point to 700 K at Pressures to 700 MPa , 1986 .

[46]  H. Baehr,et al.  An International Standard Formulation for the Thermodynamic Properties of 1,1,1,2‐Tetrafluoroethane (HFC‐134a) for Temperatures from 170 K to 455 K and Pressures up to 70 MPa , 1994 .

[47]  Roland Span,et al.  Equations of State for Technical Applications. II. Results for Nonpolar Fluids , 2003 .

[48]  J H Hildebrand,et al.  Motions of Molecules in Liquids: Viscosity and Diffusivity , 1971, Science.

[49]  Eric W. Lemmon,et al.  An International Standard Formulation for the Thermodynamic Properties of 1,1,1-Trifluoroethane (HFC-143a) for Temperatures From 161 to 450 K and Pressures to 50 MPa , 2000 .

[50]  Sabrina Hirsch,et al.  Thermophysical Properties Of Refrigerants , 2016 .

[51]  Marc J. Assael,et al.  New International Formulation for the Thermal Conductivity of H2O , 2012 .

[52]  Jiangtao Wu,et al.  An Equation of State for Fluoroethane (R161) , 2012 .

[53]  Eric W. Lemmon Pseudo-Pure Fluid Equations of State for the Refrigerant Blends R-410A, R-404A, R-507A, and R-407C , 2003 .

[54]  James F. Ely,et al.  Prediction of viscosity of refrigerants and refrigerant mixtures , 1992 .

[55]  John Satherley,et al.  An extended scaled equation for the temperature dependence of the surface tension of pure compounds inferred from an analysis of experimental data , 2000 .

[56]  Roland Span,et al.  A Reference Equation of State for the Thermodynamic Properties of Nitrogen for Temperatures from 63.151 to 1000 K and Pressures to 2200 MPa , 2000 .

[57]  Marcia L. Huber,et al.  Correlation for the Viscosity of Pentafluoroethane (R125) from the Triple Point to 500 K at Pressures up to 60 MPa , 2006 .

[58]  W. Wagner,et al.  The GERG-2008 Wide-Range Equation of State for Natural Gases and Other Mixtures: An Expansion of GERG-2004 , 2012 .

[59]  Lloyd L. Lee,et al.  SELF-CONSISTENT EQUATIONS FOR CALCULATING THE IDEAL GAS HEAT CAPACITY, ENTHALPY, AND ENTROPY , 1981 .

[60]  Wang Yugang,et al.  An equation of state for the thermodynamic properties of 1,1,1,2,3,3-hexafluoropropane (R236ea) , 2013 .

[61]  Ilmutdin M. Abdulagatov,et al.  Reference Correlation of the Viscosity of n-Heptane from the Triple Point to 600 K and up to 248 MPa , 2013 .

[62]  D. Friend,et al.  Prediction of the thermal conductivity of refrigerants and refrigerant mixtures , 1992 .

[63]  Marcia L. Huber,et al.  Thermal conductivity correlations for minor constituent fluids in natural gas: n-octane, n-nonane and n-decane , 2005 .

[64]  Jacob Leachman,et al.  Fundamental Equation of State for Deuterium , 2014 .

[65]  Eric W. Lemmon,et al.  An Equation of State for the Thermodynamic Properties of Dimethyl Ether , 2011 .

[66]  J. Rainwater,et al.  Second viscosity and thermal-conductivity virial coefficients of gases: Extension to low reduced temperature. , 1987, Physical review. A, General physics.

[67]  Marcia L. Huber,et al.  Model for the Viscosity and Thermal Conductivity of Refrigerants, Including a New Correlation for the Viscosity of R134a , 2003 .

[68]  I. Cachadiña,et al.  Recommended Correlations for the Surface Tension of Common Fluids , 2012 .

[69]  S. Beyerlein,et al.  Application of nonlinear regression in the development of a wide range formulation for HCFC-22 , 1995 .

[70]  Jiang Pan,et al.  An equation of state for the thermodynamic properties of 1,1,1,3,3,3-hexafluoropropane (HFC-236fa) , 2012 .

[71]  M. J. Assael,et al.  Reference Correlation of the Thermal Conductivity of n-Heptane from the Triple Point to 600 K and up to 250 MPa , 2013 .

[72]  Wolfgang Wagner,et al.  A Reference Equation of State for the Thermodynamic Properties of Sulfur Hexafluoride (SF6) for Temperatures from the Melting Line to 625K and Pressures up to 150MPa , 2009 .

[73]  Arno Laesecke,et al.  An improved correlation for the thermal conductivity of HCFC123 (2,2-dichloro-1,1,1-trifluoroethane) , 1996 .

[74]  Eric W. Lemmon,et al.  Speed of Sound Measurements and a Fundamental Equation of State for Cyclopentane , 2015 .

[75]  B. Nemzer,et al.  Thermal Conductivity of the Refrigerant Mixtures R404A, R407C, R410A, and R507A , 2001 .

[76]  Marcia L. Huber,et al.  Transport properties of n-dodecane , 2004 .

[77]  Ali Saadat,et al.  Partial derivatives of thermodynamic state properties for dynamic simulation , 2013, Environmental Earth Sciences.

[78]  Roland Span,et al.  Multiparameter equations of state — recent trends and future challenges , 2001 .

[79]  S. G. Penoncello,et al.  A Fundamental Equation for Trifluoromethane (R-23) , 2003 .

[80]  B. A. Hands,et al.  A correlation of thermal conductivity data for helium , 1981 .

[81]  Marcia L. Huber,et al.  Correlation for the Viscosity of Sulfur Hexafluoride (SF6) from the Triple Point to 1000 K and Pressures to 50 MPa , 2012 .

[82]  J. Trusler,et al.  Extended corresponding states model for fluids and fluid mixtures: I. Shape factor model for pure fluids , 2003 .

[83]  Mark O. McLinden,et al.  An International Standard Equation of State for the Thermodynamic Properties of Refrigerant 123 (2,2‐Dichloro‐1,1,1‐Trifluoroethane) , 1994 .

[84]  R. Tillner-Roth,et al.  A fundamental equation of state for 1,1-difluoroethane (HFC-152a) , 1995 .

[85]  Eric W. Lemmon,et al.  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 , 2009 .

[86]  M. McLinden,et al.  NIST Standard Reference Database 23: Reference Fluid Thermodynamic and Transport Properties-REFPROP, Version 9.1 | NIST , 2013 .

[87]  Eric W. Lemmon,et al.  Equations of State for Mixtures of R-32, R-125, R-134a, R-143a, and R-152a , 2004 .

[88]  Marcia L. Huber,et al.  Measurement and correlation of the thermal conductivity of pentafluoroethane (R125) from 190 K to 512 K at pressures to 70 mpa , 2006 .

[89]  Wolfgang Wagner,et al.  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 , 2006 .

[90]  J. W. Leachmana Fundamental Equations of State for Parahydrogen , Normal Hydrogen , and Orthohydrogen , 2009 .

[91]  Marcia L. Huber,et al.  Measurement and Correlation of the Thermal Conductivity of 2,3,3,3-Tetrafluoroprop-1-ene (R1234yf) and trans-1,3,3,3-Tetrafluoropropene (R1234ze(E)) , 2011 .

[92]  Daniel G. Friend,et al.  Transport properties of a moderately dense gas , 1984 .

[93]  Jiangtao Wu,et al.  Thermodynamic Properties of Dimethyl Carbonate * , 2011 .

[94]  S. G. Penoncello,et al.  18 Multiparameter equations of state , 2000 .

[95]  S. G. Penoncello,et al.  A thermodynamic property formulation for cyclohexane , 1995 .

[96]  Wolfgang Wagner,et al.  Reference Equations of State for the Thermodynamic Properties of Fluid Phase n-Butane and Isobutane , 2006 .

[97]  W. Wagner,et al.  The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use , 2002 .

[98]  W. Wagner,et al.  Thermodynamic Properties of Oxygen from the Triple Point to 300 K with Pressures to 80 MPa , 1991 .

[99]  W. Wakeham,et al.  The Transport Properties of Carbon Dioxide , 1990 .

[100]  A. J. Batschinski,et al.  Untersuchungen Aber die innere Reibnng der Flüssigkeiten. I , 1913 .

[101]  Jan V. Sengers,et al.  Transport properties of 1,1-difluoroethane (R152a) , 1996 .

[102]  Ilmutdin M. Abdulagatov,et al.  Generalized SAFT-DFT/DMT model for the thermodynamic, interfacial, and transport properties of associating fluids: Application for n-alkanols. , 2005 .

[103]  K. E. Starling,et al.  Generalized multiparameter correlation for nonpolar and polar fluid transport properties , 1988 .

[104]  Ilmutdin M. Abdulagatov,et al.  Reference Correlation of the Thermal Conductivity of Sulfur Hexafluoride from the Triple Point to 1000 K and up to 150 MPa , 2012 .