746 lines
37 KiB
Plaintext
746 lines
37 KiB
Plaintext
Octane !Short name
|
|
111-65-9 !CAS number
|
|
Octane !Full name
|
|
CH3-6(CH2)-CH3 !Chemical formula {C8H18}
|
|
n-Octane !Synonym
|
|
114.2285 !Molar mass [g/mol]
|
|
216.37 !Triple point temperature [K]
|
|
398.794 !Normal boiling point [K]
|
|
568.74 !Critical temperature [K]
|
|
2483.59 !Critical pressure [kPa]
|
|
2.031 !Critical density [mol/L]
|
|
0.398 !Acentric factor
|
|
0.07 !Dipole moment [Debye]; (estimated value)
|
|
NBP !Default reference state
|
|
10.0 !Version number
|
|
1262 !UN Number :UN:
|
|
n-alkane !Family :Family:
|
|
5511.80 !Heating value (upper) [kJ/mol] :Heat:
|
|
1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 !Standard InChI String :InChi:
|
|
TVMXDCGIABBOFY-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
|
|
???? !Alternative fluid for mixing rules :AltID:
|
|
f174a9b0 !Hash number from InChI Key :Hash:
|
|
|
|
|
|
|
|
|
|
!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
|
|
! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
|
|
! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
|
|
! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
|
|
! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
|
|
! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
|
|
! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
|
|
! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
|
|
! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
|
|
! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
|
|
! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
|
|
! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
|
|
! end of the fluid file is marked with @END. Anything below that is ignored.
|
|
|
|
|
|
! compiled by E.W. Lemmon, NIST Physical and Chemical Properties Division, Boulder, Colorado
|
|
! 04-02-98 EWL, Original version.
|
|
! 11-09-98 EWL, Add equations of Span and of Polt et al.
|
|
! 02-19-04 MLH, Add viscosity VS1 model.
|
|
! 03-12-04 MLH, Add thermal conductivity TC1.
|
|
! 04-19-04 MLH, Update VS1, TC1 references.
|
|
! 07-07-04 AHH, Update dipole moment.
|
|
! 08-05-04 EWL, Add Harvey and Lemmon dielectric correlation.
|
|
! 10-13-04 MLH, Add family.
|
|
! 12-02-06 MLH, Update LJ for ECS.
|
|
! 03-05-07 MLH, Add VS4 model.
|
|
! 08-17-10 IDC, Add ancillary equations.
|
|
! 04-11-12 MLH, Add extra blank FT coeff for consistent formatting.
|
|
! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
|
|
! 07-31-17 MT, Add final EOS of Beckmueller et al. (2017).
|
|
|
|
|
|
|
|
|
|
________________________________________________________________________________
|
|
|
|
#EOS !---Equation of state---
|
|
FEQ !Helmholtz equation of state for octane of Beckmueller et al. (2018).
|
|
:TRUECRITICALPOINT: 568.74 2.031 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
|
|
:DOI:
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Beckmueller, R., Thol, M., Lemmon, E.W., and Span, R.,
|
|
? "Fundamental Equation of State for n-Octane,"
|
|
? to be submitted to Int. J. Thermophys., 2018.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
216.37 !Lower temperature limit [K]
|
|
730.0 !Upper temperature limit [K]
|
|
1000000.0 !Upper pressure limit [kPa]
|
|
6.69 !Maximum density [mol/L]
|
|
CPP !Pointer to Cp0 model
|
|
114.229 !Molar mass [g/mol]
|
|
216.37 !Triple point temperature [K]
|
|
0.0020746 !Pressure at triple point [kPa]
|
|
6.682 !Density at triple point [mol/L]
|
|
398.794 !Normal boiling point temperature [K]
|
|
0.398 !Acentric factor
|
|
568.74 2483.59 2.031 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
568.74 2.031 !Reducing parameters [K, mol/L]
|
|
8.3144598 !Gas constant [J/mol-K]
|
|
10 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
|
|
0.042240369 1. 4. 0. !a(i),T(i),D(i),l(i)
|
|
1.4800888 0.243 1. 0.
|
|
-2.0975357 0.856 1. 0.
|
|
-0.72303256 1.07 2. 0.
|
|
0.26084383 0.52 3. 0.
|
|
-1.6713762 2.3 1. 2.
|
|
-1.3023632 2.55 3. 2.
|
|
0.67710461 1.075 2. 1.
|
|
-1.1644509 2.24 2. 2.
|
|
-0.030939987 0.951 7. 1.
|
|
3.1437871 0.59 1. 2. 2. -0.985 -1.52 1.448 0.989 0. 0. 0.
|
|
-0.011637891 0.917 1. 2. 2. -13.6 -998. 1.08 0.986 0. 0. 0.
|
|
-0.95649696 1.05 3. 2. 2. -1.03 -1.57 1.185 0.532 0. 0. 0.
|
|
-0.36897912 1.634 2. 2. 2. -1.084 -1.44 1.3 1.16 0. 0. 0.
|
|
|
|
|
|
#AUX !---Auxiliary function for Cp0
|
|
CPP !Ideal gas heat capacity function for octane of Beckmueller et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Beckmueller, R., Thol, M., Lemmon, E.W., and Span, R.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1.0 8.3144598 !Reducing parameters for T, Cp0
|
|
1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
|
4.0 0.0
|
|
17.47 380.0
|
|
33.25 1724.0
|
|
15.63 3881.0
|
|
|
|
|
|
#AUX !---Auxiliary function for PX0
|
|
PX0 !Helmholtz energy ideal-gas function for octane of Beckmueller et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Beckmueller, R., Thol, M., Lemmon, E.W., and Span, R.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
|
|
3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
|
|
16.93282505786505 0.0 !aj, ti for [ai*tau**ti] terms
|
|
-4.06060362648397 1.0 !aj, ti for [ai*tau**ti] terms
|
|
17.47 380.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
|
|
33.25 1724.0
|
|
15.63 3881.0
|
|
|
|
|
|
|
|
|
|
--------------------------------------------------------------------------------
|
|
|
|
@EOS !---Equation of state---
|
|
FE1 !Helmholtz equation of state for octane of Span and Wagner (2003).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Span, R. and Wagner, W.
|
|
? "Equations of State for Technical Applications. II. Results for Nonpolar Fluids,"
|
|
? Int. J. Thermophys., 24(1):41-109, 2003. doi: 10.1023/A:1022310214958
|
|
?
|
|
?The uncertainties of the equation of state are approximately 0.2% (to
|
|
? 0.5% at high pressures) in density, 1% (in the vapor phase) to 2% in
|
|
? heat capacity, 1% (in the vapor phase) to 2% in the speed of sound, and
|
|
? 0.2% in vapor pressure, except in the critical region.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
216.37 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
6.69 !Maximum density [mol/L]
|
|
CP1 !Pointer to Cp0 model
|
|
114.229 !Molar mass [g/mol]
|
|
216.37 !Triple point temperature [K]
|
|
0.001989 !Pressure at triple point [kPa]
|
|
6.6864 !Density at triple point [mol/L]
|
|
398.769 !Normal boiling point temperature [K]
|
|
0.395 !Acentric factor
|
|
569.32 2497.0 2.056404 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
569.32 2.056404 !Reducing parameters [K, mol/L]
|
|
8.31451 !Gas constant [J/mol-K]
|
|
12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
|
|
1.0722545 0.25 1. 0. !a(i),t(i),d(i),l(i)
|
|
-2.4632951 1.125 1. 0.
|
|
0.65386674 1.5 1. 0.
|
|
-0.36324974 1.375 2. 0.
|
|
0.12713270 0.25 3. 0.
|
|
0.00030713573 0.875 7. 0.
|
|
0.52656857 0.625 2. 1.
|
|
0.019362863 1.75 5. 1.
|
|
-0.58939427 3.625 1. 2.
|
|
-0.14069964 3.625 4. 2.
|
|
-0.0078966331 14.5 3. 3.
|
|
0.0033036598 12.0 4. 3.
|
|
|
|
|
|
@AUX !---Auxiliary function for Cp0
|
|
CP1 !Ideal gas heat capacity function for octane of Span and Wagner (2003).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Jaeschke, M. and Schley, P.
|
|
? "Ideal-Gas Thermodynamic Properties for Natural-Gas Applications,"
|
|
? Int. J. Thermophys., 16(6):1381-1392, 1995. doi: 10.1007/BF02083547
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1.0 8.31451 !Reducing parameters for T, Cp0
|
|
1 0 1 2 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
|
4.0 0.0
|
|
22456260.0 -2.0 815.064 -1.0 -2.0
|
|
396181.4 -2.0 158.922 -1.0 -2.0
|
|
138087500.0 -2.0 1693.07 -1.0 -2.0
|
|
|
|
|
|
@EOS !---Equation of state---
|
|
FEK !Helmholtz equation of state for octane of Kunz and Wagner (2004).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M.
|
|
? "The GERG-2004 Wide-Range Equation of State for Natural Gases
|
|
? and Other Mixtures," GERG Technical Monograph 15,
|
|
? Fortschritt-Berichte VDI, VDI-Verlag, Düsseldorf, 2007.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
216.37 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
6.69 !Maximum density [mol/L]
|
|
PHK !Pointer to Cp0 model
|
|
114.22852 !Molar mass [g/mol]
|
|
216.37 !Triple point temperature [K]
|
|
0.001989 !Pressure at triple point [kPa]
|
|
6.686 !Density at triple point [mol/L]
|
|
398.77 !Normal boiling point temperature [K]
|
|
0.3964 !Acentric factor
|
|
569.32 2506.7 2.056404127 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
569.32 2.056404127 !Reducing parameters [K, mol/L]
|
|
8.314472 !Gas constant [J/mol-K]
|
|
12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
|
|
1.0722544875633 0.25 1. 0.
|
|
-2.4632951172003 1.125 1. 0.
|
|
0.65386674054928 1.5 1. 0.
|
|
-0.36324974085628 1.375 2. 0.
|
|
0.12713269626764 0.250 3. 0.
|
|
0.0003071357277793 0.875 7. 0.
|
|
0.52656856987540 0.625 2. 1.
|
|
0.019362862857653 1.75 5. 1.
|
|
-0.58939426849155 3.625 1. 2.
|
|
-0.14069963991934 3.625 4. 2.
|
|
-0.0078966330500036 14.5 3. 3.
|
|
0.0033036597968109 12.0 4. 3.
|
|
|
|
|
|
@AUX !---Auxiliary function for PH0
|
|
PHK !Ideal gas Helmholtz form for octane of Kunz and Wagner (2004).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1 2 0 1 2 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
|
|
3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
|
|
15.864687161 0.0 !aj, ti for [ai*tau**ti] terms
|
|
-97.370667555 1.0
|
|
-33.8029 1.431644769 !aj, ti for cosh and sinh terms
|
|
15.6865 0.27914354
|
|
48.1731 2.973845992
|
|
|
|
|
|
@EOS !---Equation of state---
|
|
FE3 !Helmholtz equation of state for octane of Polt et al. (1992).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Polt, A., Platzer, B., and Maurer, G.,
|
|
? "Parameter der thermischen Zustandsgleichung von Bender fuer 14
|
|
? mehratomige reine Stoffe,"
|
|
? Chem. Tech. (Leipzig), 44(6):216-224, 1992.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
258.0 !Lower temperature limit [K]
|
|
500.0 !Upper temperature limit [K]
|
|
200000.0 !Upper pressure limit [kPa]
|
|
6.6355607 !Maximum density [mol/L]
|
|
CP3 !Pointer to Cp0 model
|
|
114.233 !Molar mass [g/mol]
|
|
216.37 !Triple point temperature [K]
|
|
0.15134 !Pressure at triple point [kPa]
|
|
6.3907 !Density at triple point [mol/L]
|
|
398.823 !Normal boiling point temperature [K]
|
|
0.3985 !Acentric factor
|
|
569.35 2517.0 2.0571989 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
569.35 2.0571989 !Reducing parameters [K, mol/L]
|
|
8.3143 !Gas constant [J/mol-K]
|
|
22 5 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
|
|
2.66117347782 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
|
|
-3.43810366899 4. 0. 0. 0.
|
|
0.700476763325 5. 0. 0. 0.
|
|
5.73101545749 0. 1. 0. 0.
|
|
-4.11975339382 1. 1. 0. 0.
|
|
-7.71251551395 2. 1. 0. 0.
|
|
5.26137115388 3. 1. 0. 0.
|
|
-0.716144047789 4. 1. 0. 0.
|
|
-5.84632875151 0. 2. 0. 0.
|
|
7.36422551908 1. 2. 0. 0.
|
|
-1.00540027381 2. 2. 0. 0.
|
|
1.583872422 0. 3. 0. 0.
|
|
-1.53643650819 1. 3. 0. 0.
|
|
-0.142010818863 0. 4. 0. 0.
|
|
0.0333126039209 1. 4. 0. 0.
|
|
0.0271948869925 1. 5. 0. 0.
|
|
-2.66117347782 3. 0. 2. 0.9995725
|
|
3.43810366899 4. 0. 2. 0.9995725
|
|
-0.700476763325 5. 0. 2. 0.9995725
|
|
4.43217980268 3. 2. 2. 0.9995725
|
|
-12.3858312597 4. 2. 2. 0.9995725
|
|
8.03373487925 5. 2. 2. 0.9995725
|
|
|
|
|
|
@AUX !---Auxiliary function for Cp0
|
|
CP3 !Ideal gas heat capacity function for octane.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Polt, A., Platzer, B., and Maurer, G.,
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1.0 8.3143 !Reducing parameters for T, Cp0
|
|
5 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
|
3.018753 0.0
|
|
0.07297005 1.0
|
|
-0.000014171168 2.0
|
|
-0.1225317e-7 3.0
|
|
0.12912645e-11 4.0
|
|
|
|
|
|
@EOS !---Equation of state---
|
|
FE4 !Helmholtz equation of state for octane of Starling (1973).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Starling, K.E.,
|
|
? "Fluid Thermodynamic Properties for Light Petroleum Systems,"
|
|
? Gulf Publishing Company, 1973.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
255.372 !Lower temperature limit [K]
|
|
644.0 !Upper temperature limit [K]
|
|
55000.0 !Upper pressure limit [kPa]
|
|
6.36203 !Maximum density [mol/L]
|
|
CP4 !Pointer to Cp0 model
|
|
114.224 !Molar mass [g/mol]
|
|
216.37 !Triple point temperature [K]
|
|
0.099571 !Pressure at triple point [kPa]
|
|
6.3620 !Density at triple point [mol/L]
|
|
398.440 !Normal boiling point temperature [K]
|
|
0.394 !Acentric factor
|
|
568.76 2487.0 2.0291709 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
568.76 2.0291709 !Reducing parameters [K, mol/L]
|
|
8.3159524 !Gas constant [J/mol-K]
|
|
13 5 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
|
|
2.53526486527 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
|
|
0.61687265305 0. 1. 0. 0.
|
|
-0.941731168114 1. 1. 0. 0.
|
|
-1.09609729872 3. 1. 0. 0.
|
|
0.0849362892312 4. 1. 0. 0.
|
|
-0.000363538456997 5. 1. 0. 0.
|
|
0.0849748115039 0. 2. 0. 0.
|
|
-0.0961236603829 1. 2. 0. 0.
|
|
-0.132591135067 2. 2. 0. 0.
|
|
0.00269748328453 1. 5. 0. 0.
|
|
0.00372085674947 2. 5. 0. 0.
|
|
-2.53526486527 3. 0. 2. 0.35285564
|
|
-0.447291258549 3. 2. 2. 0.35285564
|
|
|
|
|
|
@AUX !---Auxiliary function for Cp0
|
|
CP4 !Ideal gas heat capacity function for octane.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Starling, K.E.,
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1.0 4.184 !Reducing parameters for T, Cp0
|
|
1 0 1 1 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
|
34.0847 0.0
|
|
41241363.0 -2.0 768.847 -1.0 -2.0
|
|
260366400.0 -2.0 1611.55 -1.0 -2.0
|
|
|
|
|
|
|
|
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
|
|
#ETA !---Viscosity---
|
|
VS1 !Pure fluid viscosity model for octane of Huber et al. (2004).
|
|
:DOI: 10.1016/j.fluid.2005.03.008
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Huber, M.L., Laesecke, A., and Xiang, H.W., "Viscosity Correlations for
|
|
? Minor Constituent Fluids in Natural Gas: n-Octane, n-Nonane and n-Decane,"
|
|
? Fluid Phase Equilib., 224:263-270, 2004.
|
|
?
|
|
?The estimated uncertainty in viscosity is 0.5% along the saturated liquid line,
|
|
? 2% in compressed liquid to 200 MPa, 5% in vapor and supercritical regions.
|
|
?
|
|
?DATA SOURCES FOR VISCOSITY
|
|
? The parameters for viscosity were based in part on the data of:
|
|
? Knapstad, B., Skjolsvik, P.A., Oye, H.A., "Viscosity of Three Binary Hydrocarbon Mixtures," J. Chem. Eng. Data, 36:84-88, 1991.
|
|
? Dymond, J.H., Young, K.J., "Transport Properties of Nonelectrolyte Liquid Mixtures- I. Viscosity Coefficients for n-Alkane Mixtures at Saturation Pressure from 283 to 378 K," Int. J. Thermophys., 1(4):331-344, 1980.
|
|
? Caudwell, D.R., "Viscosity measurements on dense fluid mixtures, PhD Thesis, Imperial College, London, UK, 2004.
|
|
? Lyusternik, V.E. and Zhdanov, A.G., Teplofiz. Svoistva Veshchestv Mater, No.7, Rabinovich, V.A. ed., Standards Publishing, Moscow, 1973.
|
|
? Average absolute deviations of the fit from the experimental data are:
|
|
? Knapstad: avg 0.20% (max 0.37); Dymond avg. 0.27% (max 0.45);
|
|
? Caudwell: avg 0.59% (max 2.71); Lyusternik: 1.07% (max -1.85).
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
216.37 !Lower temperature limit [K]
|
|
1000.0 !Upper temperature limit [K]
|
|
500000.0 !Upper pressure limit [kPa]
|
|
7.6 !Maximum density [mol/L]
|
|
1 !Number of terms associated with dilute-gas function
|
|
CI1 !Pointer to reduced effective collision cross-section model
|
|
0.636170 !Lennard-Jones coefficient sigma [nm]
|
|
452.09 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
1.0 1.0 !Reducing parameters for T, eta
|
|
0.228258776 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term]
|
|
9 !Number of terms for initial density dependence
|
|
452.09 0.1550494 !Reducing parameters for T (=eps/k), etaB2 (= 0.6022137*sigma**3)
|
|
-19.572881 0.0 !Coefficient, power in T* = T/(eps/k)
|
|
219.73999 -0.25
|
|
-1015.3226 -0.5
|
|
2471.0125 -0.75
|
|
-3375.1717 -1.0
|
|
2491.6597 -1.25
|
|
-787.26086 -1.5
|
|
14.085455 -2.5
|
|
-0.34664158 -5.5
|
|
3 5 1 2 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
|
|
569.32 2.0564 1000.0 !Reducing parameters for T, rho, eta (Laesecke correlation in terms of mPa-s, convert to uPa-s)
|
|
2.0651 0.0 0. 0. 0 ! c1
|
|
3.07843 0.5 0. 0. 0 ! c8
|
|
-0.879088 1.0 0. 0. 0 ! c22
|
|
-0.103924 -1.0 2. 0. 0 ! beta16; powers of tau, del, del0; power of del in exponential [0= no exp.]
|
|
0.0113327 -1.0 3. 0. 0 ! beta17; powers of tau, del, del0; power of del in exponential [0= no exp.]
|
|
0.0992302 -2.0 2. 0. 0 ! beta18; powers of tau, del, del0; power of del in exponential [0= no exp.]
|
|
-0.0322455 -2.0 3. 0. 0 ! beta19; powers of tau, del, del0; power of del in exponential [0= no exp.]
|
|
-0.606122 0.0 1. -1. 0 ! beta7 over del0 term
|
|
0.606122 0.0 1. 0. 0 ! beta7 in non-simple poly term
|
|
1.0 0.0 0. 1. 0 ! del0 term in denominator
|
|
-1.0 0.0 1. 0. 0 ! -del term in denominator
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
|
|
|
|
|
#AUX !---Auxiliary function for the collision integral
|
|
CI1 !Reduced effective collision cross-section model (empirical form in log(T*)) for octane.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Huber, M.L., Laesecke, A., and Xiang, H.W., 2004.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
2 !Number of terms
|
|
0.335103 0 !Coefficient, power of Tstar
|
|
-0.467898 1
|
|
|
|
|
|
|
|
|
|
================================================================================
|
|
|
|
#TCX !---Thermal conductivity---
|
|
TC1 !Pure fluid thermal conductivity model for octane of Huber and Perkins (2005).
|
|
:DOI: 10.1016/j.fluid.2004.10.031
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Huber, M.L. and Perkins, R.A., "Thermal Conductivity Correlations for
|
|
? Minor Constituent Fluids in Natural Gas: n-Octane, n-Nonane and n-Decane,"
|
|
? Fluid Phase Equilib., 227:47-55, 2005.
|
|
?
|
|
?Uncertainty in thermal conductivity is 3%, except in the supercritical region
|
|
? and dilute gas which have an uncertainty of 5%.
|
|
?
|
|
?DATA SOURCES FOR THERMAL CONDUCTIVITY
|
|
? Li, S.F.Y., Maitland, G.C., Wakeham, W.A., "The Thermal Conductivity of n-Hexane and n-Octane at Pressures up to 0.64 GPa in the Temperature Range 34 - 90 C," Ber. Bunsenges. Phys. Chem., 88:32-36, 1984.
|
|
? Mustafaev, R.A., "Thermal Conductivity of Vapors of Normal Saturated Hydrocarbons at High Temperatures," Izv. Vyssh. Ucheb. Zaved., Neft Gaz, 16(11):71-74, 1973.
|
|
? Naziev, D.Y., "Thermal Conductivity of Hydrocarbons and Methods of Measurements," Baku, 2001.
|
|
? Watanabe, H. and Seong, D.J., "The Thermal Conductivity and Thermal Diffusivity of Liquid n-Alkanes: CnH2n+2 (n=5 to 10) and Toluene," Int. J. Thermophys., 23:337-356, 2002.
|
|
? Average absolute deviations of the fit from the experimental data are:
|
|
? Li et al.: 0.46% (max -1.34); Mustafaev: 1.12% (max 3.09); Naziev: 1.06% (max -4.09);
|
|
? Watanabe and Seong: 0.28% (max 0.91).
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
200.0 !Lower temperature limit [K] allow for extrapolation to low T
|
|
1000.0 !Upper temperature limit [K]
|
|
800000.0 !Upper pressure limit [kPa]
|
|
7.6 !Maximum density [mol/L]
|
|
4 0 !# terms for dilute gas function: numerator, denominator
|
|
569.32 1. !Reducing parameters for T, tcx
|
|
0.0077293 0. !Coefficient, power in T
|
|
-0.0371138 1. !(2)
|
|
0.097758 2. !(3)
|
|
-0.0288707 3. !(16)
|
|
10 0 !# terms for background gas function: numerator, denominator
|
|
569.32 2.0564 1. !Reducing parameters for T, rho, tcx
|
|
0.0285553 0. 1. 0. !Coefficient, powers of T, rho, spare for future use
|
|
-0.00926155 1. 1. 0.
|
|
-0.0171398 0. 2. 0.
|
|
0.0 1. 2. 0.
|
|
0.00659971 0. 3. 0.
|
|
0.00153496 1. 3. 0.
|
|
0.0 0. 4. 0.
|
|
0.0 1. 4. 0.
|
|
0.0 0. 5. 0.
|
|
0.0 1. 5. 0.
|
|
TK3 !Pointer to critical enhancement auxiliary function
|
|
|
|
|
|
#AUX !---Auxiliary function for the thermal conductivity critical enhancement
|
|
TK3 !Simplified thermal conductivity critical enhancement for octane of Olchowy and Sengers (1989).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Olchowy, G.A. and Sengers, J.V.,
|
|
? "A Simplified Representation for the Thermal Conductivity of Fluids in the Critical Region,"
|
|
? Int. J. Thermophys., 10:417-426, 1989. doi: 10.1007/BF01133538
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
9 0 0 0 !# terms: CO2-terms, spare, spare, spare
|
|
1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
|
|
0.63 !Nu (universal exponent)
|
|
1.239 !Gamma (universal exponent)
|
|
1.03 !R0 (universal amplitude)
|
|
0.063 !Z (universal exponent--not used for t.c., only viscosity)
|
|
1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
|
|
0.194e-9 !Xi0 (amplitude) [m]
|
|
0.0496 !Gam0 (amplitude) [-]
|
|
0.68628e-9 !Qd_inverse (modified effective cutoff parameter) [m]; fitted to data
|
|
853.98 !Tref (reference temperature)=1.5*Tc [K]
|
|
|
|
|
|
|
|
|
|
********************************************************************************
|
|
|
|
@ETA !---Viscosity---
|
|
VS4 !Pure fluid generalized friction theory viscosity model for octane of Quinones-Cisneros and Deiters (2006).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Quinones-Cisneros, S.E. and Deiters, U.K.,
|
|
? "Generalization of the Friction Theory for Viscosity Modeling,"
|
|
? J. Phys. Chem. B, 110(25):12820-12834, 2006. doi: 10.1021/jp0618577
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
182.55 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
7.75 !Maximum density [mol/L]
|
|
4 0 0 0 0 0 !Number of terms associated with dilute-gas function
|
|
NUL !Pointer to reduced effective collision cross-section model; not used
|
|
0.636170 !Lennard-Jones coefficient sigma [nm] (not used)
|
|
452.09 !Lennard-Jones coefficient epsilon/kappa [K] (not used)
|
|
569.32 1.0 !Reducing parameters for T, eta
|
|
0.0 0.5 !Chapman-Enskog term; not used here
|
|
16.7562 0.0 !Empirical terms for eta0
|
|
-53.1705 0.25
|
|
46.9105 0.50
|
|
0 !Number of terms for initial density dependence
|
|
8.68736376035937e-5 0.0 -2.69591205491896e-5 0. 0. ! a(0),a(1),a(2)
|
|
1.46266597799792e-4 0.0 -5.44584119633888e-5 0. 0. ! b(0),b(1),b(2)
|
|
1.286733871e-4 -1.76442029e-5 0.0 0. 0. ! c(0),c(1),c(2)
|
|
-2.40884095261648e-9 5.20715310859732e-11 0.0 0. 0. ! A(0),A(1),A(2)
|
|
0.0 6.62141302562572e-9 1.60012396822086e-9 0. 0. ! B(0),B(1),B(2)
|
|
-9.50545390021906e-7 1.03767490732769e-6 0.0 0. 0. ! C(0),C(1),C(2)
|
|
0.0 0.0 0.0 0. 0. ! D(0),D(1),D(2)
|
|
0.0 0.0 0.0 0. 0. ! E(0),E(1),E(2)
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
|
|
|
|
|
|
|
|
|
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
|
|
|
@TRN !---ECS Transport---
|
|
ECS !Extended Corresponding States model (Nitrogen reference); predictive mode for octane.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Klein, S.A., McLinden, M.O., and Laesecke, A., "An Improved Extended Corresponding States Method for Estimation of Viscosity of Pure Refrigerants and Mixtures," Int. J. Refrigeration, 20(3):208-217, 1997. doi: 10.1016/S0140-7007(96)00073-4.
|
|
?McLinden, M.O., Klein, S.A., and Perkins, R.A., "An Extended Corresponding States Model for the Thermal Conductivity of Refrigerants and Refrigerant Mixtures," Int. J. Refrigeration, 23(1):43-63, 2000. doi: 10.1016/S0140-7007(99)00024-9
|
|
?
|
|
?The Lennard-Jones parameters were taken from Huber, M.L., Laesecke, A. and Xiang, H.W., "Viscosity correlations for minor constituent fluids in natural gas: n-octane, n-nonane and n-decane," Fluid Phase Equilibria 224(2004)263-270.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
216.37 !Lower temperature limit [K]
|
|
1000.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
7.6 !Maximum density [mol/L]
|
|
FEQ NITROGEN.FLD
|
|
VS1 !Model for reference fluid viscosity
|
|
TC1 !Model for reference fluid thermal conductivity
|
|
NUL !Large molecule identifier
|
|
1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
|
|
0.636170 !Lennard-Jones coefficient sigma [nm]
|
|
452.09 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
|
|
0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
|
|
1 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
|
|
1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
|
|
1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
TK3 !Pointer to critical enhancement auxiliary function
|
|
|
|
|
|
|
|
|
|
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
|
|
|
#STN !---Surface tension---
|
|
ST1 !Surface tension model for octane of Mulero et al. (2012).
|
|
:DOI: 10.1063/1.4768782
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Mulero, A., Cachadiña, I., and Parra, M.I.,
|
|
? "Recommended Correlations for the Surface Tension of Common Fluids,"
|
|
? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
3 !Number of terms in surface tension model
|
|
569.32 !Critical temperature used in fit (dummy)
|
|
0.34338 1.6607 !Sigma0 and n
|
|
-0.50634 1.9632
|
|
0.2238 2.3547
|
|
|
|
|
|
#DE !---Dielectric constant---
|
|
DE3 !Dielectric constant model for octane of Harvey and Lemmon (2005).
|
|
:DOI: 10.1007/s10765-005-2351-5
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Harvey, A.H. and Lemmon, E.W.,
|
|
? "Method for Estimating the Dielectric Constant of Natural Gas Mixtures,"
|
|
? Int. J. Thermophys., 26(1):31-46, 2005. doi: 10.1007/s10765-005-2351-5
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
273.16 1000.0 1.0 !Reducing parameters for T and D
|
|
1 2 4 0 0 0 !Number of terms in dielectric constant model
|
|
0.10924 -1. 1. 0. !Coefficient, T exp, D exp
|
|
39.74 0. 1. 0.
|
|
0.040 1. 1. 0.
|
|
348.01 0. 2. 0.
|
|
494.18 1. 2. 0.
|
|
-76838.0 0. 3. 0.
|
|
-65772.0 1. 3. 0.
|
|
|
|
|
|
#PS !---Vapor pressure---
|
|
PS5 !Vapor pressure equation for octane of Beckmueller et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Beckmueller, R., Thol, M., Lemmon, E.W., and Span, R.
|
|
?
|
|
?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
|
|
? are the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
568.74 2483.59 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
-8.09474 1.0 !Coefficients and exponents
|
|
2.6247 1.5
|
|
-2.3855 1.99
|
|
-4.42236 3.95
|
|
-2.8186 15.5
|
|
|
|
|
|
#DL !---Saturated liquid density---
|
|
DL1 !Saturated liquid density equation for octane of Beckmueller et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Beckmueller, R., Thol, M., Lemmon, E.W., and Span, R.
|
|
?
|
|
?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
|
|
? the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
568.74 2.031 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
2.2946 0.358 !Coefficients and exponents
|
|
2.6596 1.568
|
|
-8.4135 2.3
|
|
14.251 3.02
|
|
-11.590 3.815
|
|
4.0217 4.78
|
|
|
|
|
|
#DV !---Saturated vapor density---
|
|
DV3 !Saturated vapor density equation for octane of Beckmueller et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Beckmueller, R., Thol, M., Lemmon, E.W., and Span, R.
|
|
?
|
|
?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
|
|
? the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
568.74 2.031 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
-3.18016 0.394 !Coefficients and exponents
|
|
-7.70809 1.249
|
|
-24.2673 3.32
|
|
-59.8140 6.715
|
|
-138.757 14.2
|
|
-487.182 31.1
|
|
|
|
|
|
@END
|
|
c 1 2 3 4 5 6 7 8
|
|
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|