Ruhr-Universität Bochum zur Navigation zum Inhalt Startseite der RUB pix
Startseite Uni Überblick Uni A-Z Uni Suche Uni Kontakt Uni  

pix

Contents

Home

Contact

Staff

Teachings

Research

Emeritus
Prof. W. Wagner

Equations of state

Software

FLUIDCAL

IAPWS-95

ThermoFluids

IAPWS-IF97

GERG-2004 GERG-2008

Publications

Awards

Location

Software

Publications

Chronicle

Location

 
pix Chair of Thermodynamics
Emeritus: Prof. Dr.-Ing. W. Wagner





 
 

   German
pix
Software  » FLUIDCAL
pix pix Software FLUIDCAL for the Calculation of Thermodynamic Properties for a Great Number of Substances

For the calculation of thermodynamic properties from equations of state (fundamental equations in the form of the Helmholtz energy) in research and technical applications, we developed the program FLUIDCAL. This program enables the user to calculate more than 25 different 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.

Substances that can be integrated in 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 71 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
(1-Butylene)

Equation of Lemmon and Ihmels (2004)

Butylene
(cis-2- Butylene)

Equation of Lemmon and Ihmels (2004)

Butylene
(trans-2-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 the 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 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 the IUPAC

Methanol

Equation of de Reuck and Craven (1993), Standard of the 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 the 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. Zum Seitenanfang

Calculable properties

T Temperature
p Pressure
ρ Density
h Specific enthalpy
s Specific entropy
cp Isobaric heat capacity
cv Isochoric heat capacity
w Speed of sound
u Specific internal energy
f Specific Helmholtz energy
g Specific Gibbs energy
f* 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
δT 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 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 depending on 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 depending on pressure are implemented. It is also possible to calculate directly the saturation temperature depending on the saturated-liquid or saturated-vapour density. 


The software FLUIDCAL for the calculation of thermodynamic properties

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.

The following screenshot shows the calculation of the enthalpy on the example of the function HOTP(T,P,SUBNR) for given values of temperature and pressure. By using the Add-In, the considered properties can be directly calculated under Excel by calling the name of the corresponding function. In addition to the input quantities T and p, the number of the substance must be given. In the example shown in the screenshot it is number 1 for the substance methane.

Call of functions from a FLUIDCAL DLL with the help of an Add-In in Excel.

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 by the Chair of Thermodynamics.

The interactive program ThermoFluids

The interactive PC-program ThermoFluids was developed for users who occasionally need to calculate thermodynamic properties and who prefer to work with predefined Windows based programs. This program is based on FLUIDCAL containing the substances and calculable properties listed in the tables above. Further information is given here.


Contact:

Prof. em. Dr.-Ing. W. Wagner

Tel.: +49 (0)234 32-29033

Fax: +49 (0)234 32-14945

E-Mail: wagner@thermo.rub.de 

Contact FIRST GmbH:

F.I.R.S.T. - Gesellschaft für technisch-wissenschaftliche Softwareanwendungen mbH
Telegrafenstr. 11
42929 Wermelskirchen

Telefon: +49 (2196) 88 778 0

E-Mail:
Info@FIRSTGmbH.de
Sales@FIRSTGmbH.de

Homepage: www.FirstGmbH.de

 

 
 
Zum Seitenanfang  Top | Print version