463 lines
20 KiB
Plaintext
463 lines
20 KiB
Plaintext
Fluorine !Short name
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7782-41-4 !CAS number
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Fluorine !Full name
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F2 !Chemical formula {F2}
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Fluorine !Synonym
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37.99681 !Molar mass [g/mol]
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53.4811 !Triple point temperature [K]
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85.0368 !Normal boiling point [K]
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144.414 !Critical temperature [K]
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5172.4 !Critical pressure [kPa]
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15.603 !Critical density [mol/L]
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0.0449 !Acentric factor
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0.0 !Dipole moment [Debye]; (exactly zero due to symmetry)
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NBP !Default reference state
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10.0 !Version number
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1045 !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/F2/c1-2 !Standard InChI String :InChi:
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PXGOKWXKJXAPGV-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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edbdc8e0 (nitrogen) !Alternative fluid for mixing rules :AltID:
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cdc99fe0 !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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! 04-06-98 EWL, Original version.
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! 11-18-98 EWL, Add equation of state of Polt et al. (1992).
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! 06-21-10 CKL, Add ancillary equations.
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! 07-09-10 MLH, Add predictive model based on Hanley (1972) recommended values.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 11-22-17 MLH, Revise transport.
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! 02-28-18 IHB, Add sublimation line model.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for fluorine of de Reuck (1990).
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:TRUECRITICALPOINT: 144.414 15.603 !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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?
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?```````````````````````````````````````````````````````````````````````````````
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?de Reuck, K.M.,
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? "International Thermodynamic Tables of the Fluid State-11 Fluorine,"
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? International Union of Pure and Applied Chemistry, Pergamon Press,
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? Oxford, 1990.
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?
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?The uncertainties of the equation of state are 0.2% in density, 2% in heat
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? capacity, and 1.5% in the speed of sound, except in the critical region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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53.4811 !Lower temperature limit [K]
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300.0 !Upper temperature limit [K]
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20000.0 !Upper pressure limit [kPa]
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45.47 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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37.99681 !Molar mass [g/mol]
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53.4811 !Triple point temperature [K]
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0.23881 !Pressure at triple point [kPa]
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44.917 !Density at triple point [mol/L]
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85.0368 !Normal boiling point temperature [K]
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0.0449 !Acentric factor
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144.414 5172.4 15.603 !Tc [K], pc [kPa], rhoc [mol/L]
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144.414 15.603 !Reducing parameters [K, mol/L]
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8.31448 !Gas constant [J/mol-K]
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31 5 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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1.51144749736 0.0 1. 0. 0. !a(i),t(i),d(i),l(i)
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-2.98666288409 0.5 1. 0. 0.
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3.29644905098 1.5 1. 0. 0.
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-2.98458624201 2.0 1. 0. 0.
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-2.28688966459 0.5 2. 0. 0.
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-1.094921934 1.0 2. 0. 0.
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3.04775277572 0.5 3. 0. 0.
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0.115689564208 2.0 3. 0. 0.
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-1.16100171627 0.5 4. 0. 0.
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0.295656394476 1.0 4. 0. 0.
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0.0711482542928 0.0 5. 0. 0.
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-0.00171363832155 0.5 8. 0. 0.
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0.000665317955515 0.0 9. 0. 0.
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5.06026676251 1.0 2. 2. 1.07810258
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-6.2926843544 3.0 2. 2. 1.07810258
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6.17784808739 4.0 2. 2. 1.07810258
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-1.55366191788 5.0 2. 2. 1.07810258
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-2.87170687343 1.0 3. 2. 1.07810258
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3.17214480494 4.0 3. 2. 1.07810258
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-2.67969025215 5.0 3. 2. 1.07810258
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2.71865479252 1.0 4. 2. 1.07810258
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-1.07191065039 3.0 4. 2. 1.07810258
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1.26597342291 5.0 4. 2. 1.07810258
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-0.706244695489 4.0 5. 2. 1.07810258
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0.268707888826 4.0 6. 2. 1.07810258
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0.0527251190274 1.0 7. 2. 1.07810258
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0.0544411481926 1.0 8. 2. 1.07810258
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0.000228949994105 5.0 12. 2. 1.07810258
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-0.547908264304e-9 30.0 4. 2. 2.15620515
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-0.096427322495 20.0 6. 2. 3.23430773
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0.000368084486225 25.0 6. 2. 3.23430773
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for fluorine of de Reuck (1990).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?de Reuck, K.M., 1990.
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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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144.414 8.31448 !Reducing parameters for T, Cp0
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4 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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3.5011231 0.0
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-0.000060936946 4.0
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0.0006319669 3.0
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-0.000074069617 -2.0
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1.012767 1286.12
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for fluorine of de Reuck (1990).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?de Reuck, K.M., 1990.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 5 1 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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2.5011231 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-3.5816391237711436 0.0 !aj, ti for [ai*tau**ti] terms
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3.5221357998979133 1.0 !aj, ti for [ai*tau**ti] terms
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-0.140101729176e-12 -4.0
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0.209829449040e-09 -3.0
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-0.154475174192e+01 2.0
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1.012767 1286.12 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for fluorine.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?de Reuck, K.M., 1990.
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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 5 1 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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2.5011231 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-3.5816408414 0.0 !aj, ti for [ai*tau**ti] terms
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3.5221368165 1.0
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0.0000030468 -4.0
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-0.0000526639 -3.0
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0.0000370348 2.0
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1.012767 -8.9057847577 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE2 !Helmholtz equation of state for fluorine of Polt et al. (1992).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Polt, A., Platzer, B., and Maurer, G.,
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? "Parameter der thermischen Zustandsgleichung von Bender fuer 14
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? mehratomige reine Stoffe,"
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? Chem. Tech. (Leipzig), 44(6):216-224, 1992.
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?
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!```````````````````````````````````````````````````````````````````````````````
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53.4811 !Lower temperature limit [K]
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300.0 !Upper temperature limit [K]
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25000.0 !Upper pressure limit [kPa]
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45.14 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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37.997 !Molar mass [g/mol]
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53.4811 !Triple point temperature [K]
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0.25394 !Pressure at triple point [kPa]
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44.890 !Density at triple point [mol/L]
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84.947 !Normal boiling point temperature [K]
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0.0449 !Acentric factor
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144.31 5215.3 15.106456 !Tc [K], pc [kPa], rhoc [mol/L]
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144.31 15.106456 !Reducing parameters [K, mol/L]
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8.3143 !Gas constant [J/mol-K]
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22 5 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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0.00862212325175 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
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0.162286882091 4. 0. 0. 0.
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-0.0228707299586 5. 0. 0. 0.
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0.624951179331 0. 1. 0. 0.
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-1.58918489879 1. 1. 0. 0.
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0.195171867807 2. 1. 0. 0.
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-0.438453517535 3. 1. 0. 0.
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0.0402200928405 4. 1. 0. 0.
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0.0319444405579 0. 2. 0. 0.
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0.0161784325978 1. 2. 0. 0.
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0.230132378392 2. 2. 0. 0.
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0.0819206229044 0. 3. 0. 0.
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-0.173741828076 1. 3. 0. 0.
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0.0137942204542 0. 4. 0. 0.
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-0.00449971813506 1. 4. 0. 0.
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0.0075655466178 1. 5. 0. 0.
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-0.00862212325175 3. 0. 2. 0.9225328
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-0.162286882091 4. 0. 2. 0.9225328
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0.0228707299586 5. 0. 2. 0.9225328
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0.184612089745 3. 2. 2. 0.9225328
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-0.425779777811 4. 2. 2. 0.9225328
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0.0825656492996 5. 2. 2. 0.9225328
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for fluorine.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Polt, A., Platzer, B., and Maurer, G.,
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? "Parameter der thermischen Zustandsgleichung von Bender fuer 14
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? mehratomige reine Stoffe,"
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? Chem. Tech. (Leipzig), 44(6):216-224, 1992.
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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 37.997 !Reducing parameters for T, Cp0
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5 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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0.7593432 0.0
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0.0002883653 1.0
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-0.000004192916 2.0
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0.2309778e-7 3.0
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-3.291582e-11 4.0
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Propane reference); predictive mode for fluorine.
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
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?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension
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? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018.
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? doi: 10.6028/NIST.IR.8209
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?
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?Based on predicted values of Hanley, H.J.M., and Prydz, R., "The Viscosity and Thermal Conductivity Coefficients of Gaseous and Liquid Fluorine," J. Phys. Chem. Ref. Data, 1(4):1101-1113, 1972.
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?
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?Estimated uncertainty for viscosity: 20%.
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?Estimated uncertainty for thermal conductivity: 20%.
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?
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?The Lennard-Jones parameters were taken from Reid, R.C., Prausnitz, J.M., and Poling, B.E., "The Properties of Gases and Liquids," 4th edition, New York, McGraw-Hill Book Company, 1987.
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?
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!```````````````````````````````````````````````````````````````````````````````
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53.4811 !Lower temperature limit [K]
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300.0 !Upper temperature limit [K]
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20000.0 !Upper pressure limit [kPa]
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45.47 !Maximum density [mol/L]
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FEQ PROPANE.FLD
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VS1 !Model for reference fluid viscosity
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TC1 !Model for reference fluid thermal conductivity
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BIG !Large molecule identifier
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0.97 0. 0. 0. !Large molecule parameters
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.3357 !Lennard-Jones coefficient sigma [nm]
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112.6 !Lennard-Jones coefficient epsilon/kappa [K]
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1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.00105 0. 0. 0. !Coefficient, power of T, spare1, spare2
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3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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1.8426 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.748356 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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0.16319 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
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2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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0.753172 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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6.58443e-2 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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TK3 !Pointer to critical enhancement auxiliary function
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#AUX !---Auxiliary function for the thermal conductivity critical enhancement
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TK3 !Simplified thermal conductivity critical enhancement for fluorine of Perkins et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
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? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
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? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
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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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9 0 0 0 !# terms: CO2-terms, spare, spare, spare
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1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
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0.63 !Nu (universal exponent)
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1.239 !Gamma (universal exponent)
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1.02 !R0 (universal amplitude)
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0.063 !Z (universal exponent--not used for t.c., only viscosity)
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1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
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0.145e-9 !Xi0 (amplitude) [m]
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0.056 !Gam0 (amplitude) [-]
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0.385e-9 !Qd_inverse (modified effective cutoff parameter) [m]; estimated-not fitted to data
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216.621 !Tref (reference temperature)=1.5*Tc [K]
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for fluorine of Mulero et al. (2012).
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:DOI: 10.1063/1.4768782
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mulero, A., Cachadiña, I., and Parra, M.I.,
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? "Recommended Correlations for the Surface Tension of Common Fluids,"
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? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782
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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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144.414 !Critical temperature used in fit (dummy)
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0.03978 1.218 !Sigma0 and n
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#MLT !---Melting line---
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ML1 !Melting line model for fluorine of de Reuck (1990).
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:DOI:
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?
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?```````````````````````````````````````````````````````````````````````````````
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?de Reuck, K.M., 1990.
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?
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!```````````````````````````````````````````````````````````````````````````````
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53.4811 !Lower temperature limit [K]
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300.0 !Upper temperature limit [K]
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0. !
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0. !
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53.4811 1000. !Reducing temperature and pressure
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3 0 0 0 0 0 !Number of terms in melting line equation
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0.000252 0.0 !Coefficients and exponents
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249.975 2.1845
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-249.9750131 0.0
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#SBL !---Sublimation line---
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SB2 !Sublimation line model for fluorine of Brown and Zeigler (2009).
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:DOI: 10.1007/978-1-4613-9856-1_76
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Based on G.N. Brown and W.T. Ziegler, Adv. Cryo. Eng., 25:662-670, 1979.
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? Modified to match the triple point of the equation of state.
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?
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!```````````````````````````````````````````````````````````````````````````````
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53.4811 !Lower temperature limit [K]
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90.368 !Upper temperature limit [K]
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0. !
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0. !
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1.0 1000.0 !Reducing temperature and pressure
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4 0 0 0 0 0 !Number of terms in sublimation line equation
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10.0252 0.0 !Coefficients and exponents
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-7.1089e2 -1.0
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-1.0167e4 -2.0
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1.2001e5 -3.0
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for fluorine of Lemmon (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, C.K. and Lemmon, E.W., 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. !
|
|
144.414 5172.4 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
-3.7061 1.0
|
|
-81.517 1.50
|
|
137.43 1.61
|
|
-58.617 1.77
|
|
-1.3528 7.3
|
|
|
|
|
|
#DL !---Saturated liquid density---
|
|
DL1 !Saturated liquid density equation for fluorine of Lemmon (2010).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Lemmon, C.K. and Lemmon, E.W., 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. !
|
|
144.414 15.603 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
0.21286 0.228
|
|
4.4011 0.58
|
|
-5.3959 0.908
|
|
4.1347 1.24
|
|
-0.97544 1.6
|
|
|
|
|
|
#DV !---Saturated vapor density---
|
|
DV3 !Saturated vapor density equation for fluorine of Lemmon (2010).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Lemmon, C.K. and Lemmon, E.W., 2010.
|
|
?
|
|
?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. !
|
|
144.414 15.603 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
-3.6218 0.454
|
|
-55.363 2.3
|
|
122.14 2.9
|
|
-230.92 4.0
|
|
-338.61 6.0
|
|
432.18 5.3
|
|
|
|
|
|
@END
|
|
c 1 2 3 4 5 6 7 8
|
|
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
|
0.3357 !Lennard-Jones coefficient sigma [nm] for ECS method
|
|
112.6 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|