Software FLUIDCAL for the Calculation of Thermodynamic Properties for a Great Number of Substances
The program FLUIDCAL for the calculation of thermodynamic properties from equations of state (fundamental equations in the form of the Helmholtz free energy) in research and for technical applications. The program FLUIDCAL was developed. This program enables the user to calculate more than 25 thermodynamic properties of more than 70 substances. For a large number of substances the most common transport properties can also be calculated (see the list of substances for details). As input values for the calculation, every possible combination of the properties temperature T, pressure p, density ρ, specific enthalpy h, and specific entropy s can be chosen.
Information about the several Windows operating systems and Excel versions as well as about 64 Bit DLLs and .Net DLLs are given at the end of this software description.
Substances covered by the program FLUIDCAL
In order to cover a broad variety of substances, those reference equations of state established at the Chair of Thermodynamics have been supplemented by accurate equations of other authors.
At present, software for the following 72 substances is available:
Acetone |
Equation of Lemmon and Span (2006) |
Ammonia** |
Equation of Tillner-Roth et al. (1993) |
Argon** |
Equation of Tegeler et al. (1999) |
Benzene |
Equation of Bonsen (2002) |
Butane** |
Equation of Bücker and Wagner (2006) |
Butylene |
Equation of Lemmon and Ihmels (2004) |
Butylene |
Equation of Lemmon and Ihmels (2004) |
Butylene |
Equation of Lemmon and Ihmels (2004) |
Carbon dioxide** |
Equation of Span and Wagner (1996) |
Carbon monoxide |
Equation of Lemmon and Span (2006) |
Carbonyl sulfide |
Equation of Lemmon and Span (2006) |
Chlorine |
Equation of Angus et al. (1985), Standard of the IUPAC |
Cyclohexane |
Equation of Penoncello et al. (1995) |
Cyclopentane |
Equation of Bonsen (2002) |
Decane* |
Equation of Lemmon and Span (2006) |
Diethylether |
Equation of Bonsen (2002) |
2,3-Dimethylbutane |
Equation of Bonsen (2002) |
n-Dodecane |
Equation of Lemmon and Huber (2004) |
Ethane** |
Equation of Bücker and Wagner (2006) |
Ethanol |
Equation of Dillon and Penoncello (2004) |
Ethylbenzene |
Equation of Bonsen (2002) |
Ethylene** |
Equation of Smukala et al. (2000) |
Fluorine |
Equation of de Reuck (1990), Standard of IUPAC |
Helium |
Equation of McCarty and Arp (1990) |
Heptane* |
Equation of Span and Wagner (2003) |
Hexane* |
Equation of Span and Wagner (2003) |
Hydrogen |
Equation of Leachman et al. (2009) |
Hydrogen chloride |
Equation of Thol et al. (2012) |
Hydrogen sulfide |
Equation of Lemmon and Span (2006) |
Isobutane** |
Equation of Bücker and Wagner (2006) |
Isobutylene |
Equation of Lemmon and Ihmels (2004) |
Isohexane |
Equation of Lemmon and Span (2006) |
Isopentane |
Equation of Lemmon and Span (2006) |
Krypton |
Equation of Lemmon and Span (2006) |
Methane** |
Equation of Setzmann and Wagner (1991), Standard of IUPAC |
Methanol |
Equation of de Reuck and Craven (1993), Standard of IUPAC |
Neon |
Equation of Katti et al. (1986) |
Neopentane |
Equation of Lemmon and Span (2006) |
Nitrogen** |
Equation of Span et al. (2000) |
Nitrous oxide |
Equation of Lemmon and Span (2006) |
Nonane* |
Equation of Lemmon and Span (2006) |
Octane* |
Equation of Span and Wagner (2003) |
Oxygen** |
Equation of Schmidt and Wagner (1985), Standard of IUPAC |
Pentane** |
Equation of Span and Wagner (2003) |
Propane** |
Equation of Lemmon et al. (2009) |
Propylene |
Equation of Lemmon et al. (2011) |
Propylbenzene |
Equation of Bonsen (2002) |
R11* |
Equation of Marx et al. (1992) |
R12* |
Equation of Marx et al. (1992) |
R22** |
Equation of Wagner et al. (1993) |
R23 |
Equation of Penoncello et al. (2000) |
R32** |
Equation of Tillner-Roth and Yokozeki (1997) |
R41 |
Equation of Lemmon and Span (2006) |
R113 |
Equation of Marx et al. (1992) |
R116 |
Equation of Lemmon and Span (2006) |
R123** |
Equation of Younglove and McLinden (1994), Standard of IEA |
R124** |
Equation of de Vries et al. (1995), standard of IEA |
R125** |
Equation of Piao and Noguchi (1998), standard of IEA |
R134a** |
Equation of Tillner-Roth and Baehr (1994), Standard of IEA |
R141b |
Equation of Lemmon and Span (2006) |
R142b |
Equation of Lemmon and Span (2006) |
R143a** |
Equation of Lemmon and Jacobsen (2000), Standard of IEA |
R152a** |
Equation of Tillner-Roth (1995) |
R218 |
Equation of Lemmon and Span (2006) |
R227ea |
Equation of Lemmon and Span (2006) |
R245fa |
Equation of Lemmon and Span (2006) |
R1234yf |
Equation of Richter et al. (2011) |
Sulfur dioxide |
Equation of Lemmon and Span (2006) |
Sulfur hexafluoride |
Equation of Guder and Wagner (2009) |
Toluene |
Equation of Lemmon and Span (2006) |
Water** |
Equation of Wagner and Pruß (2002), Scientific standard of IAPWS (IAPWS-95) |
Xenon |
Equation of Lemmon and Span (2006) |
* The dynamic and kinematic viscosity can be calculated for substances marked with a star.
** The dynamic and kinematic viscosity and the thermal conductivity and Prandtl number can be calculated for substances marked with two stars.
The list with the references for the equations of state used is given here.
Calculable properties
T |
Temperature |
p |
Pressure |
ρ |
Density |
h |
Specific enthalpy |
s |
Specific entropy |
c_{p} |
Specific isobaric heat capacity |
c_{v} |
Specific isochoric heat capacity |
w |
Speed of sound |
u |
Specific internal energy |
f |
Specific Helmholtz free energy |
g |
Specific Gibbs free energy |
x |
Fugacity |
(∂p/∂T)_{ρ} |
Partial derivative of pressure with respect to temperature at constant density |
(∂p/∂ρ)_{T} |
Partial derivative of pressure with respect to density at constant temperature |
(∂ρ/∂T)_{p} |
Partial derivative of density with respect to temperature at constant pressure |
μ |
Joule-Thomson coefficient |
δ_{T} |
Isothermal throtteling coefficient |
κ |
Isentropic exponent |
B |
Second virial coefficient |
C |
Third virial coefficient |
η |
Dynamic viscosity^{+} |
ν |
Kinematic viscosity^{+} |
λ |
Thermal conductivity^{++} |
^{+} Only available for those substances marked with * in the list of substances above.
^{++} Only available for those substances marked with ** in the list of substances above.
Input values for the calculation
Fundamental equations expressed in the form of the Helmholtz free energy usually need temperature T and density ρ as input values to calculate thermodynamic properties. Due to the fact that in technical applications different input values are given in most cases, the program FLUIDCAL contains iterations with which input values of the combinations (T,p), (T,h), (T,s), (p,ρ), (ρ,h), (ρ,s), (p,h), (p,s), and (h,s) can be handled in the homogeneous region as well as in the vapour-liquid two-phase region. These iterations calculate the missing values of temperature T and density ρ with which all other properties can be calculated.
For the most important input values (T,p) and (T,ρ) it is possible to calculate directly all properties listed above. To avoid a complex number of functions, the program contains routines for the direct calculation of the temperature T and density ρ from all combinations of input values. Combined with these functions, all other properties listed above can be calculated depending on every possible combination of input values. In the two-phase region, the program calculates the stable two-phase-system values for those properties listed in the table above.
On the vapour-liquid phase boundary the properties temperature, pressure, and density can be used as input values. The most important thermodynamic properties can be calculated directly on the saturated-liquid and saturated-vapour phase boundary depending on temperature. It is possible to calculate all other properties on the phase boundary by combining the functions for the evaluation of the saturated-liquid and saturated-vapour density and the corresponding functions for the calculation of the desired property as a function of temperature and density. If for a certain case the vapour pressure is given, functions for the calculation of the saturation temperature and the saturated-liquid and saturated-vapour density as a function of pressure are implemented. It is also possible to calculate directly the saturation temperature as a function of the saturated-liquid or saturated-vapour density.
Dynamic Link Library for user-specific calculations
To easily integrate the fundamental equations in Windows based standard programs, the program FLUIDCAL contains a Dynamic Link Library (DLL). The DLL contains more than sixty functions that allow the calculation of the properties listed above for the single-phase region, within the vapour-liquid two-phase region (if thermodynamically reasonable), and along the saturated-vapour and saturated-liquid phase boundary for all combinations of the input variables T, p, ρ, h, and s. The call is made via simple functions whose names are based on the property to be calculated and the given input variables. Thus, the density ρ for given values of temperature T and pressure p is calculated from the function DOTP.
FLUIDCAL contains a .LIB file that allows to integrate the DLL into user specific Fortran, C programs and Visual Basic.
In addition, FLUIDCAL contains an Add-In file that allows a simple integration of the DLL into Microsoft Excel. In this way, the considered properties can be directly calculated from within an Excelspreadsheet by calling the name of the corresponding function with the required input values. In addition to the input quantities temperature T and pressure p (or other input quantities, see above), the number of the substance (SUBNR) must be given.
As an example, the following screenshot shows the results of the calculation of all the properties for methane (SUBNR = 1) for T = 180 K and p = 0.101325 MPa. For T = 180 K, all properties on the saturated-liquid line and saturated-vapour line were calculated as well, The density for the vapour fraction x = 0.5 was also calculated within the two-phase region. With this density, all other properties that are defined within the two-phase region can be calculated. All these properties were calculated at once. Of course, a user-specific Excel spreadsheet can be designed.
All property functions of the DLL are described in detail in the MANUAL.PDF that is part of the software.
The software FLUIDCAL is not free of charge (Exeption for universities: FLUIDCAL for water according to the IAPWS-95 formulation. Information on a free download is given here).
The software FLUIDCAL is marketed by the company F.I.R.S.T. GmbH, see below. However, the software can also be ordered from the Chair of Thermodynamics.
The DLL and the die Excel-files .xla, .xlam, .xls, xlsm are configurated in such a way that they can be used under the several Windows operating systems [Windows 2000 to XP (32 Bit), Windows 7 and 8
(32 Bit/64 Bit)] and under the several Excel versions [2003 to 2013 (32 Bit)].
The FLUIDCAL software is now available as a 64-Bit version, which can be, under the 64-Bit operating systems of Windows XP to Windows 2010 and the supplied 64-bit Excel Add-ins, incorporated into the 64-Bit versions of Excel 2010-2016. Using the supplied LIB file, the software can also be integrated into other 64-Bit applications (e.g. Matlab).
.Net DLLs are also available.
Contact:
Prof. em. Dr.-Ing. W. Wagner
Tel.: +49 (0)234 32-29033
Fax: +49 (0)234 32-14945
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