264 lines
11 KiB
Plaintext
264 lines
11 KiB
Plaintext
Nitrogen trifluoride !Short name
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7783-54-2 !CAS number
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Nitrogen trifluoride !Full name
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NF3 !Chemical formula {F3N}
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Trifluoroamine !Synonym
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71.019 !Molar mass [g/mol]
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66.36 !Triple point temperature [K]
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144.138 !Normal boiling point [K]
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234.0 !Critical temperature [K]
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4460.7 !Critical pressure [kPa]
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7.92 !Critical density [mol/L]
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0.126 !Acentric factor
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0.235 !Dipole moment [Debye]; Nelson, R.D., Lide, D.R., Maryott, A., "Selected Values of electric dipole moments for molecules in the gas phase", NSRDS 10, National Bureau of Standards, Washington, D.C. (1967).
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NBP !Default reference state
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10.0 !Version number
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2451 !UN Number :UN:
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cryogen !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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1S/F3N/c1-4(2)3 !Standard InChI String :InChi:
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GVGCUCJTUSOZKP-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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434e2a40 (ethane) !Alternative fluid for mixing rules :AltID:
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6db4e3b0 !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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! 12-04-97 EWL, Original version.
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! 01-24-00 EWL, Change Tlow to 85 K and Dmax to 25.3 mol/L to avoid EOS problems at low temperatures.
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! 10-06-03 AHH, Update dipole moment.
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! 08-17-10 IDC, Add ancillary equations.
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! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
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________________________________________________________________________________
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#EOS !---Equation of state---
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BWR !MBWR equation of state for nitrogen trifluoride of Younglove (1982).
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:TRUECRITICALPOINT: 234.0 7.92 !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:
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:WEB: https://srd.nist.gov/JPCRD/jpcrdS1Vol11.pdf
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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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?The uncertainties in density are 0.25% in the liquid phase and 0.3% in the
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? vapor and supercritical regions. The uncertainty in speed of sound and
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? heat capacity is 5%.
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?
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?All temperatures are on IPTS-68.
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?
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!```````````````````````````````````````````````````````````````````````````````
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85.0 !Lower temperature limit [K]
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500.0 !Upper temperature limit [K]
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50000.0 !Upper pressure limit [kPa]
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25.3 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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71.019 !Molar mass [g/mol]
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66.36 !Triple point temperature [K]
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0.0001863 !Pressure at triple point [kPa]
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26.32 !Density at triple point [mol/L]
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144.138 !Normal boiling point temperature [K]
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0.126 !Acentric factor
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234.0 4460.7 7.92 !Tc [K], pc [kPa], rhoc [mol/L]
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234.0 7.92 !Reducing parameters [K, mol/L]
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13.3630620956 !gamma
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0.0831441 !Gas constant [L-bar/mol-K]
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32 1 !Nterm, Ncoeff per term
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0.01774353868 -0.5409379418 3.976634466
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-520.9476694 -32863.22888 -0.0005990517411
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0.9217525601 -484.8977075 -4235892.691
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-0.9824248063e-5 0.05432235989 -14.623885
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-0.00336618044 0.2801374599 8.435288597
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-0.01324421452 0.0001875604377 0.2959643991
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-0.00700997687 4365820.912 -11113975.36
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24118.66612 3179136.276 61.6684909
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42.6085472 0.1090598789 -33.40951059
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0.8597429644e-4 0.001240544214 0.1286224248e-6
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-0.8941104276e-6 0.3353054595e-4
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for nitrogen trifluoride of Younglove (1982).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Refit of the Younglove (1982) equation by Tim Eisenbach, 2018.
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? Above 60 K, differences are generally less than 0.05%.
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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 8.31441 !Reducing parameters for T, Cp0
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1 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4. 0.0
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2.651 736.0
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3.315 1325.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for nitrogen trifluoride of Younglove (1982).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Refit of the Younglove (1982) equation by Tim Eisenbach, 2018.
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? Above 60 K, differences are generally less than 0.05%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 2 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-3.53770174889460 0.0 !aj, ti for [ai*tau**ti] terms
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3.49711323704754 1.0 !aj, ti for [ai*tau**ti] terms
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2.651 736.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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3.315 1325.0
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#AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for nitrogen trifluoride 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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0. !
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10000. !
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0. !
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0. !
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1.0 8.31441 !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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-7.140693612211 0.0
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742751.8245951 -3.0
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-43898.25372134 -2.0
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1012.629224351 -1.0
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0.05481339146452 1.0
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-7.677196006769e-5 2.0
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0.420363086434e-7 3.0
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-0.6328752997967 3000.0
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for nitrogen trifluoride of Mulero et al. (2014).
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:DOI: 10.1063/1.4878755
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mulero, A. and Cachadiña, I.,
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? "Recommended Correlations for the Surface Tension of Several Fluids
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? Included in the REFPROP Program,"
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? J. Phys. Chem. Ref. Data, 43, 023104, 2014.
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? doi: 10.1063/1.4878755
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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 !Number of terms in surface tension model
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234. !Critical temperature used in fit (dummy)
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0.063203 1.2565 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for nitrogen trifluoride of Cullimore (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Cullimore, I.D., 2010.
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?
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?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
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? are the reducing parameters below, which are followed by rows containing Ni and ti.
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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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234.0 4460.7 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-6.6672 1.0
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3.3864 1.5
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-2.8222 1.7
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-5.0602 5.5
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3.2481 7.0
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for nitrogen trifluoride of Cullimore (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Cullimore, I.D., 2010.
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?
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?Functional Form: D=Dc*[1+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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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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234.0 7.92 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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2.2080 0.35
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35.709 2.4
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-92.868 2.7
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66.666 3.0
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-9.3589 4.0
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for nitrogen trifluoride of Cullimore (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Cullimore, I.D., 2010.
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?
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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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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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234.0 7.92 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-3.0610 0.421
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-8.0541 1.48
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-19.619 3.9
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-13.432 7.0
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-32.760 8.0
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-67.907 15.0
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@END
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c 1 2 3 4 5 6 7 8
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c2345678901234567890123456789012345678901234567890123456789012345678901234567890
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0.4154 !Lennard-Jones coefficient sigma [nm] for ECS method
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175.0 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
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