955 lines
45 KiB
Plaintext
955 lines
45 KiB
Plaintext
Oxygen !Short name
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7782-44-7 !CAS number
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Oxygen !Full name
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O2 !Chemical formula {O2}
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R-732 !Synonym
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31.9988 !Molar mass [g/mol]
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54.361 !Triple point temperature [K]
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90.1878 !Normal boiling point [K]
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154.581 !Critical temperature [K]
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5043.0 !Critical pressure [kPa]
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13.63 !Critical density [mol/L]
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0.0222 !Acentric factor
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0.0 !Dipole moment [Debye]; (exactly zero due to symmetry)
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OT0 !Default reference state
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298.15 101.325 8680.0 205.043 !Tref, Pref, Href, Sref
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10.0 !Version number
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1072, 1073 !UN Number :UN:
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cryogen !Family :Family:
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0.0 !Heating value (upper) [kJ/mol] :Heat:
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1S/O2/c1-2 !Standard InChI String :InChi:
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MYMOFIZGZYHOMD-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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ed016370 (argon) !Alternative fluid for mixing rules :AltID:
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edc36840 !Hash number from InChI Key :Hash:
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!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
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! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
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! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
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! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
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! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
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! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
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! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
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! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
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! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
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! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
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! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
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! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
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! end of the fluid file is marked with @END. Anything below that is ignored.
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! compiled by E.W. Lemmon, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 01-23-97 EWL, Original version.
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! 06-24-98 EWL, Add Younglove BWR equation.
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! 06-26-98 EWL, Add Younglove transport equations.
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! 10-27-99 EWL, Add Span 12 term equation.
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! 11-26-02 EWL, Change reference state to OT0 with values from CODATA.
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! 01-29-02 EWL, Add sublimation line.
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! 06-10-03 EWL, Finalize transport equations.
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! 08-05-04 EWL, Add Harvey and Lemmon dielectric correlation.
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! 11-18-04 MLH, Add tPr coeff.
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! 09-14-06 EWL, Change upper T limit from 1000 to 2000 K.
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! 12-02-06 MLH, Update LJ for ECS.
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! 03-27-07 EWL, Add Cp0 equation of Roland Span.
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! 08-17-10 IDC, Add ancillary equations.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 08-06-17 EWL, Change melting point at Ttrp to match triple point pressure of Schmidt and Wagner.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for oxygen of Schmidt and Wagner (1985).
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:TRUECRITICALPOINT: 154.599 13.342189 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
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:DOI: 10.1016/0378-3812(85)87016-3
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Schmidt, R. and Wagner, W.,
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? "A New Form of the Equation of State for Pure Substances and its
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? Application to Oxygen,"
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? Fluid Phase Equilib., 19:175-200, 1985.
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?
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?also published in:
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?
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?Stewart, R.B., Jacobsen, R.T, and Wagner, W.,
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? "Thermodynamic Properties of Oxygen from the Triple Point to 300 K
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? with Pressures to 80 MPa,"
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? J. Phys. Chem. Ref. Data, 20(5):917-1021, 1991.
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?
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?The uncertainties of the equation of state are 0.15% in vapor pressure, 0.1% in
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? density, 2% in heat capacity, and 1% in the speed of sound, except in the
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? critical region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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54.361 !Lower temperature limit [K]
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2000.0 !Upper temperature limit [K]
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82000.0 !Upper pressure limit [kPa]
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43.348 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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31.9988 !Molar mass [g/mol]
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54.361 !Triple point temperature [K]
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0.14628 !Pressure at triple point [kPa]
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40.816 !Density at triple point [mol/L]
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90.1878 !Normal boiling point temperature [K]
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0.0222 !Acentric factor
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154.581 5043.0 13.63 !Tc [K], pc [kPa], rhoc [mol/L]
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154.581 13.63 !Reducing parameters [K, mol/L]
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8.31434 !Gas constant [J/mol-K]
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32 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.3983768749 0.0 1. 0. !a(i),t(i),d(i),l(i)
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-1.846157454 1.5 1. 0.
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0.4183473197 2.5 1. 0.
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0.02370620711 -0.5 2. 0.
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0.09771730573 1.5 2. 0.
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0.03017891294 2.0 2. 0.
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0.02273353212 0.0 3. 0.
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0.01357254086 1.0 3. 0.
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-0.04052698943 2.5 3. 0.
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0.0005454628515 0.0 6. 0.
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0.0005113182277 2.0 7. 0.
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0.2953466883e-6 5.0 7. 0.
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-0.8687645072e-4 2.0 8. 0.
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-0.2127082589 5.0 1. 2.
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0.08735941958 6.0 1. 2.
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0.127550919 3.5 2. 2.
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-0.09067701064 5.5 2. 2.
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-0.03540084206 3.0 3. 2.
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-0.03623278059 7.0 3. 2.
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0.0132769929 6.0 5. 2.
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-0.0003254111865 8.5 6. 2.
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-0.008313582932 4.0 7. 2.
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0.002124570559 6.5 8. 2.
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-0.0008325206232 5.5 10. 2.
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-0.2626173276e-4 22.0 2. 4.
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0.002599581482 11.0 3. 4.
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0.009984649663 18.0 3. 4.
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0.002199923153 11.0 4. 4.
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-0.02591350486 23.0 4. 4.
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-0.1259630848 17.0 5. 4.
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0.1478355637 18.0 5. 4.
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-0.01011251078 23.0 5. 4.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for oxygen of Schmidt and Wagner (1985).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Refit by Roland Span of the Schmidt and Wagner equation listed below
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? to account for the electronic contribution up to 2000 K with
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? Planck-Einstein terms only.
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?
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?Schmidt, R. and Wagner, W.,
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? "A New Form of the Equation of State for Pure Substances and its
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? Application to Oxygen,"
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? Fluid Phase Equilib., 19:175-200, 1985.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.31434 !Reducing parameters for T, Cp0
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1 5 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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3.51808732 0.0
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1.02323928 2246.3244
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0.784357918 11259.9763
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0.00337183363 1201.26209
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-0.0170864084 69.0089445
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0.0463751562 5328.05445
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for oxygen of Schmidt and Wagner (1985).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Refit by Roland Span of the Schmidt and Wagner equation listed below
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? to account for the electronic contribution up to 2000 K with
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? Planck-Einstein terms only.
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?
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?Schmidt, R. and Wagner, W.,
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? "A New Form of the Equation of State for Pure Substances and its
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? Application to Oxygen,"
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? Fluid Phase Equilib., 19:175-200, 1985.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 5 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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2.51808732 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-14.7168366664971053 0.0 !aj, ti for [ai*tau**ti] terms
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-0.0110839854084588 1.0 !aj, ti for [ai*tau**ti] terms
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1.02323928 2246.3244 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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0.784357918 11259.9763
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0.00337183363 1201.26209
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-0.0170864084 69.0089445
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0.0463751562 5328.05445
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for oxygen.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Refit by Roland Span of the Schmidt and Wagner equation listed above.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1 2 5 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
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2.51808732 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-14.7168366665 0.0 !aj, ti for [ai*tau**ti] terms
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-0.0110839854 1.0
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1.02323928 -14.5316979448 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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0.784357918 -72.8419165357
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0.0033718336 -7.7710849975
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-0.0170864084 -0.4464257865
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0.0463751562 -34.4677188658
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@AUX !---Auxiliary function for Cp0
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CPx !Ideal gas heat capacity function for oxygen.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Schmidt, R. and Wagner, W.,
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?
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?The electronic part of the equation of Schmidt and Wagner is not included here.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.31434 !Reducing parameters for T, Cp0
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3 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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1.06778 -1.5
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3.50042 0.0
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0.166961e-7 2.0
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1.01258 2242.45
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FEK !Helmholtz equation of state for oxygen of Kunz and Wagner (2004).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M.
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? "The GERG-2004 Wide-Range Equation of State for Natural Gases
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? and Other Mixtures," GERG Technical Monograph 15,
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? Fortschritt-Berichte VDI, VDI-Verlag, Düsseldorf, 2007.
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?
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!```````````````````````````````````````````````````````````````````````````````
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54.361 !Lower temperature limit [K]
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1000.0 !Upper temperature limit [K]
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82000.0 !Upper pressure limit [kPa]
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43.348 !Maximum density [mol/L]
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PHK !Pointer to Cp0 model
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31.9988 !Molar mass [g/mol]
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54.361 !Triple point temperature [K]
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0.1460 !Pressure at triple point [kPa]
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40.89 !Density at triple point [mol/L]
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90.18 !Normal boiling point temperature [K]
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0.0236 !Acentric factor
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154.595 5061.6 13.63 !Tc [K], pc [kPa], rhoc [mol/L]
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154.595 13.63 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.88878286369701 0.250 1. 0.
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-2.4879433312148 1.125 1. 0.
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0.59750190775886 1.5 1. 0.
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0.0096501817061881 1.375 2. 0.
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0.07197042871277 0.25 3. 0.
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0.00022337443000195 0.875 7. 0.
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0.18558686391474 0.625 2. 1.
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-0.03812936803576 1.75 5. 1.
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-0.15352245383006 3.625 1. 2.
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-0.026726814910919 3.625 4. 2.
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-0.025675298677127 14.5 3. 3.
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0.0095714302123668 12.0 4. 3.
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@AUX !---Auxiliary function for PH0
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PHK !Ideal gas Helmholtz form for oxygen of Kunz and Wagner (2004).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1 2 0 1 1 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
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2.50146 1.0 !ai, ti for [ai*log(tau**ti)] terms
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10.001843586 0.0 !aj, ti for [ai*tau**ti] terms
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-14.996095135 1.0
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-1.01334 7.223325463 !aj, ti for cosh and sinh terms
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1.07558 14.461722565
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@EOS !---Equation of state---
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FES !Helmholtz equation of state for oxygen of Span and Wagner (2003).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Span, R. and Wagner, W.
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? "Equations of State for Technical Applications. II. Results for Nonpolar Fluids,"
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? Int. J. Thermophys., 24(1):41-109, 2003. doi: 10.1023/A:1022310214958
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?
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?The uncertainties of the equation of state are approximately 0.2% (to
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? 0.5% at high pressures) in density, 1% (in the vapor phase) to 2% in
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? heat capacity, 1% (in the vapor phase) to 2% in the speed of sound, and
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? 0.2% in vapor pressure, except in the critical region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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54.361 !Lower temperature limit [K]
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600.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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43.348 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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31.999 !Molar mass [g/mol]
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54.361 !Triple point temperature [K]
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0.14603 !Pressure at triple point [kPa]
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40.885 !Density at triple point [mol/L]
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90.182 !Normal boiling point temperature [K]
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0.0222 !Acentric factor
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154.595 5043.0 13.63 !Tc [K], pc [kPa], rhoc [mol/L]
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154.595 13.63 !Reducing parameters [K, mol/L]
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8.31451 !Gas constant [J/mol-K]
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12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.88878286 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.4879433 1.125 1. 0.
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0.59750191 1.5 1. 0.
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0.0096501817 1.375 2. 0.
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0.071970429 0.25 3. 0.
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0.00022337443 0.875 7. 0.
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0.18558686 0.625 2. 1.
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-0.038129368 1.75 5. 1.
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-0.15352245 3.625 1. 2.
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-0.026726815 3.625 4. 2.
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-0.025675299 14.5 3. 3.
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0.0095714302 12.0 4. 3.
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@EOS !---Equation of state---
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BWR !MBWR equation of state for oxygen of Younglove (1982).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Younglove, B.A.,
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? "Thermophysical Properties of Fluids. I. Argon, Ethylene,
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? Parahydrogen, Nitrogen, Nitrogen Trifluoride, and Oxygen,"
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? J. Phys. Chem. Ref. Data, Vol. 11, Suppl. 1, pp. 1-11, 1982.
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?
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!```````````````````````````````````````````````````````````````````````````````
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54.359 !Lower temperature limit [K]
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400.0 !Upper temperature limit [K]
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121000.0 !Upper pressure limit [kPa]
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40.820 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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31.9988 !Molar mass [g/mol]
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54.359 !Triple point temperature [K]
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0.148 !Pressure at triple point [kPa]
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40.820 !Density at triple point [mol/L]
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90.1878 !Normal boiling point temperature [K]
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0.0222 !Acentric factor
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154.581 5043.0 13.63 !Tc [K], pc [kPa], rhoc [mol/L]
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154.581 13.63 !Reducing parameters [K, mol/L]
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13.3630620956 !gamma
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0.0831411 !Gas constant [L-bar/mol-K]
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32 1 !Nterm, Ncoeff per term
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-0.000436585965 0.2005820677 -4.197909916
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187.8215317 -12874.73398 0.1556745888e-4
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0.001343639359 -2.228415518 4767.792275
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0.4790846641e-6 0.002462611107 -0.192189168
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-0.6978320847e-5 -0.0006214145909 -0.1860852567
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0.2609791417e-4 -0.2447611408e-6 0.0001457743352
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-0.1726492873e-5 -2384.89252 -230180.7796
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-27.90303526 94005.77575 -0.04169449637
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2.008497853 -0.000125607652 -0.6406362964
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-0.2475580168e-7 0.1346309703e-4 -0.116150247e-9
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-0.1034699798e-7 0.2365936964e-6
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for oxygen of Younglove.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Younglove, B.A.,
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.31434 !Reducing parameters for T, Cp0
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7 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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-4981.998537119 -3.0
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230.2477799952 -2.0
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|
-3.455653235107 -1.0
|
|
3.521876773671 0.0
|
|
-0.00004354202160244 1.0
|
|
0.1346353450132e-7 2.0
|
|
1.620598259591e-11 3.0
|
|
1.031468515726 2239.18105
|
|
|
|
|
|
@EOS !---Cubic equation of state---
|
|
PRT !Translated Peng-Robinson equation for oxygen.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Volume translation of Peng Robinson EOS.
|
|
? Translation computed so that sat. liquid density at Tr=0.7 matches FEQ Helmholtz equation
|
|
? of state for O2 of Schmidt and Wagner (1985).
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
54.361 !Lower temperature limit [K]
|
|
2000.0 !Upper temperature limit [K]
|
|
82000.0 !Upper pressure limit [kPa]
|
|
43.348 !Maximum density [mol/L]
|
|
CPP !Pointer to Cp0 model
|
|
31.9988 !Molar mass [g/mol]
|
|
0.0222 !Acentric factor
|
|
154.581 !Critical temperature [K]
|
|
5043.0 !Critical pressure [kPa]
|
|
13.63 !Critical density [mol/L]
|
|
8.314472 !Gas constant [J/mol-K]
|
|
1 !Number of parameters
|
|
-0.003157
|
|
|
|
|
|
|
|
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
|
|
#ETA !---Viscosity---
|
|
VS1 !Pure fluid viscosity model for oxygen of Lemmon and Jacobsen (2004).
|
|
:DOI: 10.1023/B:IJOT.0000022327.04529.f3
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Lemmon, E.W. and Jacobsen, R.T,
|
|
? "Viscosity and Thermal Conductivity Equations for Nitrogen, Oxygen, Argon, and Air,"
|
|
? Int. J. Thermophys., 25:21-69, 2004.
|
|
?
|
|
?The uncertainty is 1% in the dilute gas at temperatures above 200 K, and
|
|
? 5% in the dilute gas at lower temperatures. The uncertainty is around
|
|
? 2% between 270 and 300 K, and increases to 5% outside of this region.
|
|
? The uncertainty may be higher in the liquid near the triple point.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
54.361 !Lower temperature limit [K]
|
|
2000.0 !Upper temperature limit [K]
|
|
82000.0 !Upper pressure limit [kPa]
|
|
43.348 !Maximum density [mol/L]
|
|
1 !Number of terms associated with dilute-gas function
|
|
CI1 !Pointer to reduced effective collision cross-section model
|
|
0.3428 !Lennard-Jones coefficient sigma [nm]
|
|
118.5 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
1.0 1.0 !Reducing parameters for T, eta
|
|
0.151011418 0.5 !Chapman-Enskog term
|
|
0 !Number of terms for initial density dependence
|
|
0 5 0 0 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
|
|
154.581 13.63 1.0 !Reducing parameters for T, rho, eta
|
|
17.67 -0.05 1. 0. 0 !Simple polynomial terms
|
|
0.4042 0.0 5. 0. 0
|
|
0.0001077 -2.1 12. 0. 0
|
|
0.3510 0.0 8. 0. 1
|
|
-13.67 -0.5 1. 0. 2
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
|
|
|
|
|
#AUX !---Auxiliary function for the collision integral
|
|
CI1 !Collision integral model for oxygen of Lemmon and Jacobsen (2004).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Lemmon, E.W. and Jacobsen, R.T, 2004.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
5 !Number of terms
|
|
0.431 0 !Coefficient, power of Tstar
|
|
-0.4623 1
|
|
0.08406 2
|
|
0.005341 3
|
|
-0.00331 4
|
|
|
|
|
|
|
|
|
|
================================================================================
|
|
|
|
#TCX !---Thermal conductivity---
|
|
TC1 !Pure fluid thermal conductivity model for oxygen of Lemmon and Jacobsen (2004).
|
|
:DOI: 10.1023/B:IJOT.0000022327.04529.f3
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Lemmon, E.W. and Jacobsen, R.T,
|
|
? "Viscosity and Thermal Conductivity Equations for Nitrogen, Oxygen, Argon, and Air,"
|
|
? Int. J. Thermophys., 25:21-69, 2004.
|
|
?
|
|
?The uncertainty for the dilute gas is 2% with increasing uncertainties
|
|
? near the triple point. The uncertainties range from 3% between 270 and
|
|
? 300 K to 5% elsewhere. The uncertainties above 100 MPa are not known due
|
|
? to a lack of experimental data.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
54.361 !Lower temperature limit [K]
|
|
2000.0 !Upper temperature limit [K]
|
|
82000.0 !Upper pressure limit [kPa]
|
|
43.348 !Maximum density [mol/L]
|
|
3 0 !# terms for dilute gas function: numerator, denominator
|
|
154.581 0.001 !Reducing parameters for T, tcx
|
|
1.036 -97.0 !Coefficient, power in T
|
|
6.283 0.9
|
|
-4.262 0.6
|
|
6 0 !# terms for background gas function: numerator, denominator
|
|
154.581 13.63 0.001 !Reducing parameters for T, rho, tcx
|
|
15.31 0. 1. 0. !Coefficient, powers of T, rho, exp(rho)
|
|
8.898 0. 3. 0.
|
|
-0.7336 -0.3 4. 0.
|
|
6.728 -4.3 5. 2.
|
|
-4.374 -0.5 7. 2.
|
|
-0.4747 -1.8 10. 2.
|
|
TK3 !Pointer to critical enhancement auxiliary function
|
|
|
|
|
|
#AUX !---Auxiliary function for the thermal conductivity critical enhancement
|
|
TK3 !Simplified thermal conductivity critical enhancement for oxygen of Lemmon and Jacobsen (2004).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Lemmon, E.W. and Jacobsen, R.T, 2004.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
9 0 0 0 !# terms: terms, spare, spare, spare
|
|
1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
|
|
0.63 !Nu (universal exponent)
|
|
1.2415 !Gamma (universal exponent)
|
|
1.01 !R0 (universal amplitude)
|
|
0.065 !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)
|
|
0.24e-9 !Xi0 (amplitude) [m]
|
|
0.055 !Gam0 (amplitude) [-]
|
|
0.51e-9 !Qd_inverse (modified effective cutoff parameter) [m]
|
|
309.162 !Tref (reference temperature) [K]
|
|
|
|
|
|
|
|
|
|
********************************************************************************
|
|
|
|
@TCX !---Thermal conductivity---
|
|
TC3 !Pure fluid thermal conductivity model for oxygen of Younglove (1982).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Younglove, B.A.,
|
|
? "Thermophysical Properties of Fluids. I. Argon, Ethylene,
|
|
? Parahydrogen, Nitrogen, Nitrogen Trifluoride, and Oxygen,"
|
|
? J. Phys. Chem. Ref. Data, Vol. 11, Suppl. 1, pp. 1-11, 1982.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
54.361 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
43.348 !Maximum density [mol/L]
|
|
0.3437 !Lennard-Jones coefficient sigma [nm]
|
|
113.0 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
0.15099557923496 !Const in Eq 20 = 5/16*(k*MW/1000/pi/Na)**0.5*1.0d12
|
|
0. !Exponent in Eq 20 for T
|
|
-1.41202117453516 !Eta0 (eq 20): coeffs of {(e/kT)**((4-n)/3)}
|
|
8.06267523869911
|
|
-19.44147946395
|
|
25.78193316324
|
|
-20.5167203343277
|
|
10.0087040966906
|
|
-2.90450673487991
|
|
0.459605807669332
|
|
-0.0301906029521
|
|
0.00097916328 !Coefficient for initial density dependence of viscosity (eq 21); Fv(1)
|
|
0.00089116658 !Fv(2)
|
|
1.12 !Fv(3)
|
|
100. !Fv(4)
|
|
-21.520741137 !Coefficients for residual viscosity, eqs (22 - 25)
|
|
473.50508788 !Ev(2)
|
|
11.9072051301147 !Ev(3)
|
|
-2122.44247203833 !Ev(4)
|
|
0. !Ev(5)
|
|
0. !Ev(6)
|
|
0. !Ev(7)
|
|
31.251171918947 !Ev(8)
|
|
2.21064 !F
|
|
0.000000038896 !Rm
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
|
|
|
|
|
@ETA !---Viscosity---
|
|
VS2 !Pure fluid viscosity model for oxygen of Younglove (1982).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Younglove, B.A.,
|
|
? "Thermophysical Properties of Fluids. I. Argon, Ethylene,
|
|
? Parahydrogen, Nitrogen, Nitrogen Trifluoride, and Oxygen,"
|
|
? J. Phys. Chem. Ref. Data, Vol. 11, Suppl. 1, pp. 1-11, 1982.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
54.361 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
43.348 !Maximum density [mol/L]
|
|
CI2 !Pointer to collision integral model
|
|
0.3437 !Lennard-Jones coefficient sigma [nm]
|
|
113.0 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
0.15099557923496 !Const in Eq 19 = 5/16*(k*MW/1000/pi/Na)**0.5*1.0d12
|
|
0.0 !Exponent in Eq 20 for T
|
|
0.0139279625307 !Coefficient for initial density dependence of viscosity (eq 21); Fv(1)
|
|
-0.00651536010579 !Fv(2)
|
|
1.4 !Fv(3)
|
|
100. !Fv(4)
|
|
-14.45497211 !Coefficients for residual viscosity, eqs (22 - 25)
|
|
243.40689667 !Ev(2)
|
|
12.9006761056004 !Ev(3)
|
|
-1949.07966423848 !Ev(4)
|
|
-0.0562078436742 !Ev(5)
|
|
21.3075467849104 !Ev(6)
|
|
48.9965711691056 !Ev(7)
|
|
13.5942597847419 !Ev(8)
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
|
|
|
|
|
@AUX !---Auxiliary function for the collision integral
|
|
CI2 !Collision integral model for oxygen of Younglove (1982).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Younglove, B.A.,
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
9 !Number of terms
|
|
-67.2093902106092 0 !eta0 (eq 20): coeffs of {(e/kT)**((4-n)/3)}
|
|
277.148660965491 0
|
|
-399.192753863192 0
|
|
166.828729537446 0
|
|
143.163477478684 0
|
|
-191.767060368781 0
|
|
98.4332230147836 0
|
|
-22.9410694301649 0
|
|
2.12402264924749 0
|
|
|
|
|
|
|
|
|
|
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
|
|
|
@TRN !---ECS Transport---
|
|
ECS !Extended Corresponding States model (Nitrogen reference); predictive mode for oxygen.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?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 Lemmon, E.W. and Jacobsen, R.T, "Viscosity and Thermal Conductivity Equations for Nitrogen, Oxygen, Argon, and Air," Int. J. Thermophys., 25:21-69, 2004.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
54.361 !Lower temperature limit [K]
|
|
1000.0 !Upper temperature limit [K]
|
|
82000.0 !Upper pressure limit [kPa]
|
|
43.348 !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)
|
|
0.3428 !Lennard-Jones coefficient sigma [nm]
|
|
118.5 !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 oxygen 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. !
|
|
1 !Number of terms in surface tension model
|
|
154.581 !Critical temperature used in fit (dummy)
|
|
0.03843 1.225 !Sigma0 and n
|
|
|
|
|
|
#DE !---Dielectric constant---
|
|
DE3 !Dielectric constant model for oxygen 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
|
|
0 2 4 0 0 0 !Number of terms in dielectric constant model
|
|
3.9578 0. 1. 0. !Coefficient, T exp, D exp
|
|
0.0065 1. 1. 0.
|
|
0.575 0. 2. 0.
|
|
1.028 1. 2. 0.
|
|
-8.96 0. 2.5 0.
|
|
-5.15 1. 2.5 0.
|
|
|
|
|
|
#MLT !---Melting line---
|
|
ML2 !Melting line model for oxygen of Schmidt and Wagner (1985).
|
|
:DOI: 10.1016/0378-3812(85)87016-3
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Schmidt, R. and Wagner, W.,
|
|
? "A New Form of the Equation of State for Pure Substances and its
|
|
? Application to Oxygen,"
|
|
? Fluid Phase Equilib., 19:175-200, 1985.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
54.361 !Lower temperature limit [K]
|
|
300.0 !Upper temperature limit [K]
|
|
0. !
|
|
0. !
|
|
54.361 0.146277 !Reducing temperature and pressure
|
|
0 4 0 0 0 0 !Number of terms in melting line equation
|
|
-32.463539 0.0625 !Coefficients and exponents
|
|
142.78011 0.125
|
|
-147.02341 0.1875
|
|
52.0012 0.25
|
|
|
|
|
|
#SBL !---Sublimation line---
|
|
SB3 !Sublimation line model for oxygen of Lemmon (2003).
|
|
:DOI:
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Lemmon, E.W., 2003.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
54.361 !Upper temperature limit [K]
|
|
0. !
|
|
0. !
|
|
54.361 0.14628 !Reducing temperature and pressure
|
|
0 1 0 0 0 0 !Number of terms in sublimation line equation
|
|
-20.714 1.06 !Coefficients and exponents
|
|
|
|
|
|
#PS !---Vapor pressure---
|
|
PS5 !Vapor pressure equation for oxygen of Cullimore (2010).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Cullimore, I.D., 2010.
|
|
?
|
|
?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. !
|
|
154.581 5043.0 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
-6.0595 1.0
|
|
1.3050 1.5
|
|
-0.54178 2.2
|
|
-1.9410 4.8
|
|
0.35514 6.2
|
|
|
|
|
|
#DL !---Saturated liquid density---
|
|
DL1 !Saturated liquid density equation for oxygen of Cullimore (2010).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Cullimore, I.D., 2010.
|
|
?
|
|
?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. !
|
|
154.581 13.63 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
1.6622 0.345
|
|
0.76846 0.74
|
|
-0.10041 1.2
|
|
0.20480 2.6
|
|
0.011551 7.2
|
|
|
|
|
|
#DV !---Saturated vapor density---
|
|
DV3 !Saturated vapor density equation for oxygen of Cullimore (2010).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Cullimore, I.D., 2010.
|
|
?
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?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
|
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? the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
154.581 13.63 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
-2.2695 0.3785
|
|
-4.6578 1.07
|
|
-9.9480 2.7
|
|
-22.845 5.5
|
|
-45.190 10.0
|
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-25.101 20.0
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|
|
|
|
|
@END
|
|
c 1 2 3 4 5 6 7 8
|
|
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
|
|
|
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|
@TCX !Thermal conductivity model specification
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|
TC1 pure fluid thermal conductivity model of Laesecke (1990).
|
|
?
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|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Laesecke, A., Krauss, R., Stephan, K., and Wagner, W.,
|
|
? "Transport Properties of Fluid Oxygen,"
|
|
? J. Phys. Chem. Ref. Data, 19(5):1089-1122, 1990.
|
|
?
|
|
?The uncertainties in thermal conductivity are 3% in the dilute gas,
|
|
? 4% in the liquid, 5% in the vapor and about 6% elsewhere. In the critical
|
|
? region, the uncertainty is about 18%.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
54.361 !Lower temperature limit [K]
|
|
1000.0 !Upper temperature limit [K]
|
|
82000.0 !Upper pressure limit [kPa]
|
|
43.348 !Maximum density [mol/L]
|
|
2 0 !# terms for dilute gas function: numerator, denominator
|
|
1.0 0.001 !Reducing parameters for T, tcx
|
|
0.5825413 -97. !Coefficient, power in T
|
|
0.0321266 -98.
|
|
5 0 !# terms for background gas function: numerator, denominator
|
|
1.0 13.63 0.004909 !Reducing parameters for T, rho (rho_c), tcx
|
|
2.32825085 0. 1. 0. !Coefficient, powers of T, rho, spare for future use
|
|
4.23024231 0. 2. 0.
|
|
-3.60798307 0. 3. 0.
|
|
2.01675631 0. 4. 0.
|
|
-0.289731736 0. 5. 0.
|
|
TK3 !Pointer to critical enhancement auxiliary function
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|
|
|
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|
@AUX !---Thermal conductivity critical enhancement model
|
|
TK3 simplified thermal conductivity critical enhancement of Laesecke et al. (1990).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Laesecke, A., Krauss, R., Stephan, K., and Wagner, W.,
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
9 0 0 0 !# terms: terms, spare, spare, spare
|
|
1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
|
|
0.63 !Nu (universal exponent)
|
|
1.2415 !gamma (universal exponent)
|
|
1.01 !R0 (universal amplitude)
|
|
0.065 !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)
|
|
0.16e-9 !xi0 (amplitude) [m]
|
|
0.08391 !gam0 (amplitude) [-]
|
|
0.4167e-9 !qd_inverse (modified effective cutoff parameter) [m]
|
|
309.162 !Tref (reference temperature) [K]
|
|
|
|
|
|
@ETA !Viscosity model specification
|
|
VS1 pure fluid viscosity model of Laesecke et al. (1990).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Laesecke, A., Krauss, R., Stephan, K., and Wagner, W.,
|
|
? "Transport Properties of Fluid Oxygen,"
|
|
? J. Phys. Chem. Ref. Data, 19(5):1089-1122, 1990.
|
|
?
|
|
?The uncertainties in viscosity are 1.5% in the dilute gas, 4% in the liquid,
|
|
? 5% in the vapor and about 6% elsewhere. In the critical region, the
|
|
? uncertainty is about 12%.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
54.361 !Lower temperature limit [K]
|
|
1000.0 !Upper temperature limit [K]
|
|
82000.0 !Upper pressure limit [kPa]
|
|
43.348 !Maximum density [mol/L]
|
|
1 !Number of terms associated with dilute-gas function
|
|
CI1 !Pointer to reduced effective collision cross-section model
|
|
0.34318867 !Lennard-Jones coefficient sigma [nm]
|
|
116.2 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
1.0 1.0 !Reducing parameters for T, eta
|
|
0.151006 0.5 !Chapman-Enskog term
|
|
0 !Number of terms for initial density dependence
|
|
0 4 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
|
|
1. 13.63 18.8928 !Reducing parameters for T, rho, eta
|
|
-1.7993647 0.0 0. 0. 0 !Simply polynomial terms
|
|
-0.397230772 0.0 1. 0. 0
|
|
0.312536267 0.0 2. 0. 0
|
|
-0.0615559341 0.0 3. 0. 0
|
|
-5.60288207 0.0 0. 0. 0 !Numerator
|
|
1.0 0.0 1. 0. 0 !Denominator
|
|
-3.1138112 0.0 0. 0. 0 !Denominator
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
|
|
|
|
|
@AUX !---Collision integral specification
|
|
CI1 collision integral model of Stephan (1987).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Laesecke, A., Krauss, R., Stephan, K., and Wagner, W.,
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
5 !Number of terms
|
|
0.46649 0 !Coefficient, power of Tstar
|
|
-0.57015 1
|
|
0.19164 2
|
|
-0.03708 3
|
|
0.00241 4
|