460 lines
21 KiB
Plaintext
460 lines
21 KiB
Plaintext
Krypton !Short name
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7439-90-9 !CAS number
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Krypton !Full name
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Kr !Chemical formula {Kr}
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R-784 !Synonym
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83.798 !Molar mass [g/mol]
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115.775 !Triple point temperature [K]
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119.73 !Normal boiling point [K]
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209.48 !Critical temperature [K]
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5525.0 !Critical pressure [kPa]
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10.85 !Critical density [mol/L]
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-0.000894 !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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1056, 1970 !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/Kr !Standard InChI String :InChi:
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DNNSSWSSYDEUBZ-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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434e2a40 (ethane) !Alternative fluid for mixing rules :AltID:
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d7c8c510 !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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! 07-11-00 EWL, Remove Juza equation and replace with Lemmon and Span equation.
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! 04-12-00 EWL, Update Lemmon and Span short EOS.
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! 05-20-01 EWL, Add sublimation line.
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! 03-29-04 EWL, Update Lemmon and Span short EOS.
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! 07-07-04 EWL, Update Tmax for transport equations.
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! 08-05-04 EWL, Add Harvey and Lemmon dielectric correlation.
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! 08-08-05 EWL, Change first coef. in melting line equation slightly to match EOS at Ttrp.
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! 01-30-07 EWL, Change triple point from 115.77 to 115.775 in accordance with Bedford et al., Metrologia, 33:133, 1996.
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! 07-01-10 CKL, Add ancillary equations.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 04-03-17 MLH, Revise thermal conductivity, viscosity.
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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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! 12-11-17 MLH, Adjust dilute gas viscosity to match ref. value at 25 C from Berg and Moldover, JPCRD 41(4) 043104 (2012).
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! 02-15-18 MLH, Revise thermal conductivity to account for changes in viscosity made 12.11.17
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! 03-01-18 MLH, Revise cutoff in critical enhancement.
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! 04-02-18 MLH, Revise k to reflect bug fix due to different R values for internal contribution of thermal conductivity.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for krypton of Lemmon and Span (2006).
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:TRUECRITICALPOINT: 209.48 10.85 !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 equation of state is valid from the triple point to 750 K with
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? pressures to 200 MPa, although the uncertainties increase substantially
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? above 100 MPa. The uncertainties in density are typically 0.2% below 100
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? MPa, increasing to 1% at pressures up to 200 MPa. The uncertainty in vapor
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? pressure is 0.2% and the uncertainties in speed of sound are 0.01% in the
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? vapor phase (including supercritical conditions) at low pressures, 1% below
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? 20 MPa in the liquid phase, and 3% below 100 MPa at other state points.
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? The limited amount of heat capacity data show that the uncertainty is 1%
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? near the triple point, and uncertainties in heat capacities at other states
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? are probably within 2%, at least at pressures up to 20 MPa.
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?
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!```````````````````````````````````````````````````````````````````````````````
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115.775 !Lower temperature limit [K]
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750.0 !Upper temperature limit [K]
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200000.0 !Upper pressure limit [kPa]
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33.42 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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83.798 !Molar mass [g/mol]
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115.775 !Triple point temperature [K]
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73.53 !Pressure at triple point [kPa]
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29.2 !Density at triple point [mol/L]
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119.73 !Normal boiling point temperature [K]
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-0.000894 !Acentric factor
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209.48 5525.0 10.85 !Tc [K], pc [kPa], rhoc [mol/L]
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209.48 10.85 !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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0.83561 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.3725 1.125 1. 0.
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0.54567 1.5 1. 0.
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0.014361 1.375 2. 0.
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0.066502 0.25 3. 0.
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0.0001931 0.875 7. 0.
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0.16818 0.625 2. 1.
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-0.033133 1.75 5. 1.
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-0.15008 3.625 1. 2.
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-0.022897 3.625 4. 2.
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-0.021454 14.5 3. 3.
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0.0069397 12.0 4. 3.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for krypton 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 krypton 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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-3.7506404605274408 0.0 !aj, ti for [ai*tau**ti] terms
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3.7798013718120207 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 krypton.
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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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-3.7506412806 0.0 !aj, ti for [ai*tau**ti] terms
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3.7798018435 1.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for krypton 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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115.775 !Lower temperature limit [K]
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780.0 !Upper temperature limit [K]
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375000.0 !Upper pressure limit [kPa]
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33.55 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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83.7 !Molar mass [g/mol]
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115.775 !Triple point temperature [K]
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73.476 !Pressure at triple point [kPa]
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29.249 !Density at triple point [mol/L]
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119.73 !Normal boiling point temperature [K]
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-0.0015 !Acentric factor
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209.4 5502.2 10.860215 !Tc [K], pc [kPa], rhoc [mol/L]
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209.4 10.860215 !Reducing parameters [K, mol/L]
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8.3143 !Gas constant [J/mol-K]
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22 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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-0.402218741560 3.0 0. 0. !a(i),t(i),d(i),l(i)
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0.679250544381 4.0 0. 0.
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-0.187886980286 5.0 0. 0.
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0.603399982935 0.0 1. 0.
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-1.77297564389 1.0 1. 0.
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0.581208430222 2.0 1. 0.
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-0.733585469788 3.0 1. 0.
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0.164651929067 4.0 1. 0.
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-0.0319923148922 0.0 2. 0.
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0.333278228743 1.0 2. 0.
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0.0219652478083 2.0 2. 0.
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0.0751994891628 0.0 3. 0.
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-0.212109737251 1.0 3. 0.
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-0.00645185506524 0.0 4. 0.
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0.04091756102 1.0 4. 0.
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0.00169416098754 1.0 5. 0.
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0.402218741560 3.0 0. 2.
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-0.679250544381 4.0 0. 2.
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0.187886980286 5.0 0. 2.
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0.108265263587 3.0 2. 2.
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-0.137102675805 4.0 2. 2.
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-0.110549803007 5.0 2. 2.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for krypton.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Polt, A., Platzer, B., and Maurer, G.,
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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 83.7 !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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0.2483363 0.0
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Nitrogen reference); predictive mode for krypton.
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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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?Uncertainty of viscosity in the liquid phase is 30%, data unavailable.
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? Uncertainty of viscosity in the gas phase at atmospheric pressure is 3%.
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?
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?Uncertainty of thermal conductivity is 4% at pressures to 50 MPa.
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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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115.775 !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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33.42 !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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1.008291 0. 0. 0. !Large molecule parameters
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.3655 !Lennard-Jones coefficient sigma [nm] for ECS method
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178.9 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
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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 - term is zero
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1 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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1.0 0. 0. 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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0.962573 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.0118156 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 krypton 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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0.168e-9 !Xi0 (amplitude) [m]
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0.058 !Gam0 (amplitude) [-]
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0.437e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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314.22 !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 krypton 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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209.48 !Critical temperature used in fit (dummy)
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0.0447 1.245 !Sigma0 and n
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#DE !---Dielectric constant---
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DE3 !Dielectric constant model for krypton of Harvey and Lemmon (2005).
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:DOI: 10.1007/s10765-005-2351-5
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Harvey, A.H. and Lemmon, E.W.,
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? "Method for Estimating the Dielectric Constant of Natural Gas Mixtures,"
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? Int. J. Thermophys., 26(1):31-46, 2005. doi: 10.1007/s10765-005-2351-5
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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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273.16 1000.0 1.0 !Reducing parameters for T and D
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0 1 4 0 0 0 !Number of terms in dielectric constant model
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6.273 0. 1. 0. !Coefficient, T exp, D exp
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6.485 0. 2. 0.
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13.48 1. 2. 0.
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-82.51 0. 2.7 0.
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-170.4 1. 2.7 0.
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#MLT !---Melting line---
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ML1 !Melting line model for krypton of Michels and Prins (1962).
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:DOI: 10.1016/0031-8914(62)90096-4
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Michels, A. and Prins, C.,
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? "The Melting Lines of Argon, Krypton and Xenon up to 1500 Atm;
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? Representation of the Results by a Law of Corresponding States,"
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? Physica, 28:101-116, 1962.
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?
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!```````````````````````````````````````````````````````````````````````````````
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115.775 !Lower temperature limit [K]
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800.0 !Upper temperature limit [K]
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0. !
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0. !
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1. 101.325 !Reducing temperature and pressure
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2 0 0 0 0 0 !Number of terms in melting line equation
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-2345.921 0.0 !Coefficients and exponents
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1.080476685 1.6169841
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#SBL !---Sublimation line---
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SB3 !Sublimation line model for krypton of Lemmon (2002).
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:DOI:
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W., 2002.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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115.775 !Upper temperature limit [K]
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0. !
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0. !
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115.775 73.197 !Reducing temperature and pressure
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0 1 0 0 0 0 !Number of terms in sublimation line equation
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-11.5616 1. !Coefficients and exponents
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for krypton of Lemmon (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, C.K. and Lemmon, E.W., 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. !
|
|
0. !
|
|
209.48 5525.0 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
-5.9697 1.0
|
|
1.2673 1.5
|
|
-0.95609 2.95
|
|
-35.630 9.3
|
|
56.884 10.4
|
|
|
|
|
|
#DL !---Saturated liquid density---
|
|
DL1 !Saturated liquid density equation for krypton 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. !
|
|
209.48 10.85 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
20.593 0.62
|
|
-65.490 0.84
|
|
94.407 1.07
|
|
-69.678 1.34
|
|
22.810 1.6
|
|
|
|
|
|
#DV !---Saturated vapor density---
|
|
DV3 !Saturated vapor density equation for krypton 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. !
|
|
209.48 10.85 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
-6.4163 0.525
|
|
8.9956 0.77
|
|
-10.216 1.04
|
|
-13.477 3.2
|
|
-211.52 8.3
|
|
213.75 9.0
|
|
|
|
|
|
@END
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