543 lines
24 KiB
Plaintext
543 lines
24 KiB
Plaintext
Xenon !Short name
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7440-63-3 !CAS number
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Xenon !Full name
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Xe !Chemical formula {Xe}
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Xenon !Synonym
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131.293 !Molar mass [g/mol]
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161.405 !Triple point temperature [K]
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165.05 !Normal boiling point [K]
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289.733 !Critical temperature [K]
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5842.0 !Critical pressure [kPa]
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8.4 !Critical density [mol/L]
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0.00363 !Acentric factor
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0.0 !Dipole moment [Debye]; (exactly zero for monatomic molecules)
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NBP !Default reference state
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10.0 !Version number
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2036 !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/Xe !Standard InChI String :InChi:
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FHNFHKCVQCLJFQ-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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434e2a40 (ethane) !Alternative fluid for mixing rules :AltID:
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71fd7fa0 !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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! 03-30-98 EWL, Original version.
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! 07-11-00 EWL, Add equation of state of Lemmon and Span.
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! 01-27-02 EWL, Add sublimation line.
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! 03-10-03 EWL, Change critical parameters slightly (truncated final digits).
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! 04-08-04 EWL, Finalize equation of state.
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! 07-07-04 EWL, Increase max density in transport equations.
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! 08-05-04 EWL, Add Harvey and Lemmon dielectric correlation.
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! 12-02-06 MLH, Update LJ for ECS.
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! 01-30-07 EWL, Change triple point from 161.4 to 161.405 in accordance with Bedford et al., Metrologia, 33:133, 1996.
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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 Lemmon and Span.
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! 11-22-17 MLH, Revise viscosity and thermal conductivity to replace old DDMIX correlations.
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! 12-11-17 MLH, Adjust dilute gas ecs viscosity to match ref. value at 25 C from Berg and Moldover, JPCRD 41(4) 043104 (2012).
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! 02-14-18 MLH, Redo thermal conductivity due to changes in viscosity made on 12.11.17
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! 02-19-18 MLH, Fixed typo in TK3 block.
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! 04-03-18 MLH, Revise k to reflect bug fix due to different R values for internal contribution of thermal conductivity, revise Fc.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for xenon of Lemmon and Span (2006).
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:TRUECRITICALPOINT: 289.733 8.4 !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: 10.1021/je050186n
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Span, R.,
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? "Short Fundamental Equations of State for 20 Industrial Fluids,"
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? J. Chem. Eng. Data, 51(3):785-850, 2006. doi: 10.1021/je050186n
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?
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?The uncertainties in the equation of state are 0.2% in density up to 100
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? MPa, rising to 1% at higher pressures, 0.2% in vapor pressure, 1% in
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? the speed of sound, and 2% in heat capacities.
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?
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!```````````````````````````````````````````````````````````````````````````````
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161.405 !Lower temperature limit [K]
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750.0 !Upper temperature limit [K]
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700000.0 !Upper pressure limit [kPa]
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28.78 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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131.293 !Molar mass [g/mol]
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161.405 !Triple point temperature [K]
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81.77 !Pressure at triple point [kPa]
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22.59 !Density at triple point [mol/L]
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165.05 !Normal boiling point temperature [K]
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0.00363 !Acentric factor
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289.733 5842.0 8.4 !Tc [K], pc [kPa], rhoc [mol/L]
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289.733 8.4 !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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0.83115 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.3553 1.125 1. 0.
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0.53904 1.5 1. 0.
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0.014382 1.375 2. 0.
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0.066309 0.25 3. 0.
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0.00019649 0.875 7. 0.
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0.14996 0.625 2. 1.
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-0.035319 1.75 5. 1.
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-0.15929 3.625 1. 2.
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-0.027521 3.625 4. 2.
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-0.023305 14.5 3. 3.
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0.0086941 12.0 4. 3.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for xenon of Lemmon and Span (2006).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Span, R., 2006.
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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 8.314472 !Reducing parameters for T, Cp0
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1 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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2.5 0.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for xenon of Lemmon and Span (2006).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Span, R., 2006.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 0 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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1.5 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-3.8227169849622977 0.0 !aj, ti for [ai*tau**ti] terms
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3.8416390607135864 1.0 !aj, ti for [ai*tau**ti] terms
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for xenon.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Span, R., 2006.
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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 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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1.5 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-3.8227178129 0.0 !aj, ti for [ai*tau**ti] terms
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3.8416395351 1.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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BWR !MBWR equation of state for xenon of McCarty.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Coefficients from NIST Thermophysical Properties of Pure Fluids Database, NIST12,
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? Version 3.0, National Institute of Standards and Technology, Boulder, CO, 1992.
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?
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?N.B. all temperatures on IPTS-68
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?
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!```````````````````````````````````````````````````````````````````````````````
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161.36 !Lower temperature limit [K]
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1300.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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24.62 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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131.3 !Molar mass [g/mol]
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161.36 !Triple point temperature [K]
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81.654 !Pressure at triple point [kPa]
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22.597 !Density at triple point [mol/L]
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165.071 !Normal boiling point temperature [K]
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-0.00111 !Acentric factor
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289.74 5821.0 11.0 !Tc [K], pc [kPa], rhoc [mol/L]
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289.74 11.0 !Reducing parameters [K, mol/L]
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8.3776661 !gamma
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0.0831434 !Gas constant [L-bar/mol-K]
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32 1 !Nterm, Ncoeff per term
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-0.001122246365118 0.4265740662874 -12.19294183093
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998.6032891995 -129247.1898135 0.0001460668285129
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-0.1075162481632 123.5414695585 -122563.8806967
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0.4700505087543e-5 0.01436700919927 -13.31592168658
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0.9460000692027e-4 0.01930354270958 23.7055871939
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-0.0005601751815957 0.9004325692403e-5 -0.04754291673359
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0.0008647482958006 113851.9318642 -1263477.094904
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1843.675807499 9271172.468374 4.973184925072
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428.2591875459 0.07690405557218 -522.7868138738
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-0.0001048773067133 0.009082979494829 0.6458784488434e-6
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-0.166767382207e-4 0.001556036272902
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Nitrogen reference); fit to limited data for xenon.
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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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?Estimated uncertainty for gas-phase viscosity is 1%, for liquid to 60 MPa and temperatures above 170 K is 5%.
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?Estimated uncertainty for gas-phase thermal conductivity is 5%, and 3% for the liquid at pressures to 50 MPa at temperatures 170 K to 235 K.
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?
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?The Lennard-Jones parameters were obtained by fitting data in Vogel, E., Ber. Bunsen-Ges. Phys. Chem., 88:997-1002, 1984.
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?
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!```````````````````````````````````````````````````````````````````````````````
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161.405 !Lower temperature limit [K]
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750.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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28.78 !Maximum density [mol/L]
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FEQ NITROGEN.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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1.0012 0. 0. 0. !Large molecule parameters
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.3929 !Lennard-Jones coefficient sigma [nm]
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260.91 !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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0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2; dummy value only term is zero
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3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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0.806961 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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0.130263 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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-2.22093e-2 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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0.906192 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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6.383e-3 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 xenon 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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0.182e-9 !Xi0 (amplitude) [m]
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0.058 !Gam0 (amplitude) [-]
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0.479e-9 !Qd_inverse (modified effective cutoff parameter) [m]; estimated-not fitted to data
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434.5995 !Tref (reference temperature)=1.5*Tc [K]
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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@ETA !---Viscosity---
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VS2 !Pure fluid viscosity model from NIST12 for xenon.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Coefficients from NIST Thermophysical Properties of Pure Fluids Database, NIST12,
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? Version 3.0, National Institute of Standards and Technology, Boulder, CO, 1992.
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?
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?Estimated uncertainty less than 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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161.36 !Lower temperature limit [K]
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1300.0 !Upper temperature limit [K]
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300000.0 !Upper pressure limit [kPa]
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28.78 !Maximum density [mol/L]
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CI2 !Pointer to collision integral model
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0.3297 !Lennard-Jones coefficient sigma [nm]
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300.0 !Lennard-Jones coefficient epsilon/kappa [K]
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0.305864975918623 !Const in Eq 19 = 5/16*(k*MW/1000/pi/Na)**0.5*1.0d12
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0.0 !Exponent in Eq 20 for T
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0.768059558541217 !Coefficient for initial density dependence of viscosity (eq 21); Fv(1)
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-0.585958377425158 !Fv(2)
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2.984837805288 !Fv(3)
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26.32847824613 !Fv(4)
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-10.78336030151 !Coefficients for residual viscosity, eqs (22 - 25)
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50.05660460723 !Ev(2)
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11.1406641168716 !Ev(3)
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-779.716643301403 !Ev(4)
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0.0615104211699 !Ev(5)
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10.7552268985402 !Ev(6)
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70.1937254720167 !Ev(7)
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5.3593311454524 !Ev(8)
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NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
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@AUX !---Auxiliary function for the collision integral
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CI2 !Collision integral model for xenon of McCarty.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Coefficients from NIST Thermophysical Properties of Pure Fluids Database, NIST12,
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? Version 3.0, National Institute of Standards and Technology, Boulder, CO, 1992.
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?
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?Estimated uncertainty less than 5%.
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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 !Number of terms
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128.829355170398 0 !Eta0 (eq 20): coeffs of {(e/kT)**((4-n)/3)}
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-824.923907889772 0
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2218.37801659791 0
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-3223.99202732053 0
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2718.40030222947 0
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-1324.88234523685 0
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356.464839471621 0
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-40.0927287567597 0
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0 0
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********************************************************************************
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@TCX !---Thermal conductivity---
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TC3 !Pure fluid thermal conductivity model for xenon of McCarty.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Coefficients from NIST Thermophysical Properties of Pure Fluids Database, NIST12,
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? Version 3.0, National Institute of Standards and Technology, Boulder, CO, 1992.
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?
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?Estimated uncertainty less than 6%.
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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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161.36 !Lower temperature limit [K]
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1300.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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28.78 !Maximum density [mol/L]
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0.3297 !Lennard-Jones coefficient sigma [nm]
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300.0 !Lennard-Jones coefficient epsilon/kappa [K]
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0.305864975918623 !Const in Eq 20 = 5/16*(k*MW/1000/pi/Na)**0.5*1.0d12
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0. !Exponent in Eq 20 for T
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0.015244231368 !Eta0 (eq 20): coeffs of {(e/kT)**((4-n)/3)}
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-0.0905313615496
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0.220032138191832
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-0.278004805199205
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0.189554114709829
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-0.0636328719931
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0.00929951868906
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0.
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0.
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2.64173335524e-4 !Coefficient for initial density dependence of viscosity (eq 21); Fv(1)
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4.73502202366e-5 !Fv(2)
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-0.6198732951154 !Fv(3)
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1525.9253243 !Fv(4)
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-18.50657092152 !Coefficients for residual viscosity, eqs (22 - 25)
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222.4871694717 !Ev(2)
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11.0124644286886 !Ev(3)
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-3621.41559218313 !Ev(4)
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0.00514892242754 !Ev(5)
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16.2049998648212 !Ev(6)
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-11.4853001847611 !Ev(7)
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5.15587382303351 !Ev(8)
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1.7124 !F
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0.00000003669 !Rm
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NUL !Pointer to critical enhancement auxiliary function
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for xenon 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., Cachadi<64>a, I., and Parra, M.I.,
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? "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. !
|
||
2 !Number of terms in surface tension model
|
||
289.733 !Critical temperature used in fit (dummy)
|
||
-0.11538 1.0512 !Sigma0 and n
|
||
0.16598 1.098
|
||
|
||
|
||
#DE !---Dielectric constant---
|
||
DE3 !Dielectric constant model for xenon 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 1 3 0 0 0 !Number of terms in dielectric constant model
|
||
10.122 0. 1. 0. !Coefficient, T exp, D exp
|
||
31.97 0. 2. 0.
|
||
46.97 1. 2. 0.
|
||
-948.4 0. 2.7 0.
|
||
|
||
|
||
#MLT !---Melting line---
|
||
ML1 !Melting line model for xenon of Michels and Prins (1962).
|
||
:DOI: 10.1016/0031-8914(62)90096-4
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Michels, A. and Prins, C.,
|
||
? "The Melting Lines of Argon, Krypton and Xenon up to 1500 Atm;
|
||
? Representation of the Results by a Law of Corresponding States,"
|
||
? Physica, 28:101-116, 1962.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
161.405 !Lower temperature limit [K]
|
||
1300.0 !Upper temperature limit [K]
|
||
0. !
|
||
0. !
|
||
1. 101.325 !Reducing temperature and pressure
|
||
2 0 0 0 0 0 !Number of terms in melting line equation
|
||
-2575.0728 0.0 !Coefficients and exponents
|
||
0.7983277028 1.589165
|
||
|
||
|
||
#SBL !---Sublimation line---
|
||
SB3 !Sublimation line model for xenon of Lemmon (2003).
|
||
:DOI:
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W., 2003.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
161.405 !Upper temperature limit [K]
|
||
0. !
|
||
0. !
|
||
161.405 81.75 !Reducing temperature and pressure
|
||
0 2 0 0 0 0 !Number of terms in sublimation line equation
|
||
-13.9 1.06 !Coefficients and exponents
|
||
14.0 3.1
|
||
|
||
|
||
#PS !---Vapor pressure---
|
||
PS5 !Vapor pressure equation for xenon 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. !
|
||
289.733 5842.0 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-6.0231 1.0
|
||
1.4989 1.5
|
||
-0.74906 2.2
|
||
-1.2194 4.8
|
||
-0.44905 6.2
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for xenon 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. !
|
||
289.733 8.4 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
13.570 0.56
|
||
-47.545 0.8
|
||
63.876 1.0
|
||
-39.983 1.3
|
||
12.701 1.6
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for xenon of Cullimore (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Cullimore, I.D., 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. !
|
||
289.733 8.4 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
-3.0026 0.435
|
||
-6.0560 1.4
|
||
-60.339 4.4
|
||
488.38 6.2
|
||
-819.74 7.0
|
||
472.87 8.6
|
||
|
||
|
||
@END
|
||
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|
||
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