490 lines
24 KiB
Plaintext
490 lines
24 KiB
Plaintext
R41 !Short name
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593-53-3 !CAS number
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Fluoromethane !Full name
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CH3F !Chemical formula {CH3F}
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HFC-41 !Synonym
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34.03292 !Molar mass [g/mol]
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129.82 !Triple point temperature [K]
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194.84 !Normal boiling point [K]
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317.28 !Critical temperature [K]
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5897.0 !Critical pressure [kPa]
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9.3 !Critical density [mol/L]
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0.2004 !Acentric factor
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1.851 !Dipole moment [Debye]; from DIPPR: Sutter & Cole (1970), J. Chem. Phys. 52:132
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IIR !Default reference state
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10.0 !Version number
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2454 !UN Number :UN:
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halocb !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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107. !GWP (WMO 2010) :GWP:
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1S/CH3F/c1-2/h1H3 !Standard InChI String :InChi:
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NBVXSUQYWXRMNV-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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8ee31230 !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 M. McLinden, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 04-17-96 MM, Original version.
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! 04-12-01 EWL, Add Lemmon and Span short EOS (behaviour below 175 K is good).
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! 05-11-02 MLH, Add comparisons with data, LJ parameters.
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! 01-21-03 EWL, Add revised Lemmon and Span short EOS and make default equation.
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! (exponents on tau are modified, not those given by Span)
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! 03-13-03 EWL, Replace cp0 equation.
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! 07-31-03 EWL, Revise EOS fit.
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! 04-25-04 EWL, Add new EOS with modified temperature exponents.
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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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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for R-41 of Lemmon and Span (2006).
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:TRUECRITICALPOINT: 317.28 9.3 !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 0.1% in density (except near
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? the critical point), 0.25% in vapor pressure, 1% in heat capacities, 0.2%
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? in the vapor phase speed of sound, and 3% in the liquid phase speed of sound.
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? The liquid phase speed of sound uncertainty is an estimate and cannot be
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? verified without experimental information. The uncertainties above 290 K in
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? vapor pressure may be as high as 0.5%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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129.82 !Lower temperature limit [K]
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425.0 !Upper temperature limit [K]
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70000.0 !Upper pressure limit [kPa]
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29.66 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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34.03292 !Molar mass [g/mol]
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129.82 !Triple point temperature [K]
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0.345 !Pressure at triple point [kPa]
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29.65 !Density at triple point [mol/L]
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194.84 !Normal boiling point temperature [K]
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0.2004 !Acentric factor
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317.28 5897.0 9.3 !Tc [K], pc [kPa], rhoc [mol/L]
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317.28 9.3 !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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1.6264 0.52 1. 0. !a(i),t(i),d(i),l(i)
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-2.8337 1.12 1. 0.
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0.0010932 4.0 1. 0.
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0.037136 0.03 3. 0.
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0.00018724 0.63 7. 0.
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-0.22189 3.4 1. 1.
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0.55021 2.2 2. 1.
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0.0461 1.5 5. 1.
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-0.056405 0.1 1. 2.
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-0.17005 4.8 1. 2.
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-0.032409 3.5 4. 2.
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-0.012276 15.0 2. 3.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for R-41 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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2 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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0.00016937 1.0
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5.6936 1841.0
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2.9351 4232.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for R-41 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 3 2 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-4.8676501221130053 0.0 !aj, ti for [ai*tau**ti] terms
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4.2527989117950007 1.0 !aj, ti for [ai*tau**ti] terms
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0.00016937 -1.0
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5.6936 1841.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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2.9351 4232.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for R-41.
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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 3 2 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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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-4.867644116 0.0 !aj, ti for [ai*tau**ti] terms
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4.2527951258 1.0
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-0.0268688568 -1.0
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5.6936 -5.8024457892 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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2.9351 -13.3383761977
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FES !Helmholtz equation of state for R-41 of Lemmon and Span (2006).
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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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!```````````````````````````````````````````````````````````````````````````````
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129.82 !Lower temperature limit [K]
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500.0 !Upper temperature limit [K]
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60000.0 !Upper pressure limit [kPa]
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29.6 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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34.03292 !Molar mass [g/mol]
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129.82 !Triple point temperature [K]
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0.343 !Pressure at triple point [kPa]
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29.6 !Density at triple point [mol/L]
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194.79 !Normal boiling point temperature [K]
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0.1994 !Acentric factor
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317.28 5897.0 9.3 !Tc [K], pc [kPa], rhoc [mol/L]
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317.28 9.3 !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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0.85316 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.6366 1.25 1. 0.
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0.69129 1.5 1. 0.
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0.054681 0.25 3. 0.
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0.00012796 0.875 7. 0.
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-0.37093 2.375 1. 1.
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0.33920 2.0 2. 1.
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-0.0017413 2.125 5. 1.
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-0.095417 3.5 1. 2.
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-0.078852 6.5 1. 2.
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-0.030729 4.75 4. 2.
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-0.011497 12.5 2. 3.
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@EOS !---Equation of state---
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BWR !MBWR equation of state for R-41 of Outcalt (1996).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Outcalt, S.L., MBWR equation of state as reported in:
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? Haynes, W.M.,
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? "Thermophysical properties of HCFC alternatives,"
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? National Institute of Standards and Technology, Boulder, Colorado,
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? Final Report for ARTI MCLR Project Number 660-50800, 1996.
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?
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?The ideal-gas contribution is based on the spectroscopic values of:
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? Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.J., McDonald, R.A., and
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? Syverd, A.N.,
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? "JANAF Thermochemical Tables,"
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? Third Edition, J. Phys. Chem. Ref. Data, 14(suppl. 1):1-1856, 1985.
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?
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!```````````````````````````````````````````````````````````````````````````````
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175.0 !Lower temperature limit [K]
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500.0 !Upper temperature limit [K]
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60000.0 !Upper pressure limit [kPa]
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27.1006 !Maximum density [mol/L] (sat liq density at 175 K)
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CP1 !Pointer to Cp0 model
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34.033 !Molar mass [g/mol]
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129.82 !Triple point temperature [K]
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0.32 !Pressure at triple point [kPa]
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29.66 !Density at triple point [mol/L]
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195.027 !Normal boiling point temperature [K]
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0.2012 !Acentric factor
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317.28 5897.0 9.30 !Tc [K], pc [kPa], rhoc [mol/L]
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317.28 9.30 !Reducing parameters [K, mol/L]
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9.30 !gamma
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0.08314471 !Gas constant [L-bar/mol-K]
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32 1 !Nterm, Ncoeff per term
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-0.0326441485138 3.38620074694 -83.1696847103
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13958.9938388 -1561139.72752 -0.00165160386413
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1.18821153813 -137.311604695 176999.573025
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0.164945271187e-4 0.0595329911829 -34.1969857376
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-0.0016855206475 -0.00758216269071 -13.480058622
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0.00311348265418 -0.651499088798e-4 0.018403319219
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-0.000281459127843 -186344.956951 11042209.5705
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-1475.26754027 26160302.5982 -7.44431617418
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782.35515717 -0.00562784094508 -843.317187588
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-0.600934897964e-4 0.0145050417148 0.222324172533e-7
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-0.204419971811e-4 0.000245556593457
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for R-41 of Chase et al. (1985).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Polynomial fit based on spectroscopic values of:
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? Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.J., McDonald, R.A., and
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? Syverd, A.N.,
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? "JANAF Thermochemical Tables,"
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? Third Edition, J. Phys. Chem. Ref. Data, 14(suppl. 1):1-1856, 1985.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 1.0 !Reducing parameters for T, Cp0
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4 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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38.133739 0.0
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-0.0788701 1.0
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0.000329302 2.0
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-2.37475e-7 3.0
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (R134a reference); predictive mode for R-41.
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:DOI: 10.1016/S0140-7007(96)00073-4
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Klein, S.A., McLinden, M.O., and Laesecke, A., "An Improved Extended Corresponding States Method for Estimation of Viscosity of Pure Refrigerants and Mixtures," Int. J. Refrig., 20(3):208-217, 1997. doi: 10.1016/S0140-7007(96)00073-4.
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?McLinden, M.O., Klein, S.A., and Perkins, R.A., "An Extended Corresponding States Model for the Thermal Conductivity of Refrigerants and Refrigerant Mixtures," Int. J. Refrig., 23(1):43-63, 2000. doi: 10.1016/S0140-7007(99)00024-9
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?
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?THERMAL CONDUCTIVITY
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? Insufficient data to perform a fit; limited comparisons are available with the data of:
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? Tomassini, F., Levi, A.C., Scoles, G., De Groot, J.J., Van Den Broeke, J.W., Van Den Meijdenberg, C.J.N., Beenakker, J.J.M., G., "Viscosity and Thermal Conductivity of Polar Gases in an Electric Field," Physica (Amsterdam), 49:299-341, 1970. doi: 10.1016/0031-8914(70)90177-1
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? Average absolute deviations of the fit from the experimental data are:
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? Tomassini: 12.05%; Overall: 12.05%.
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?
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?VISCOSITY
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? Insufficient data to perform a fit; limited comparisons are available with the data of:
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? Tomassini, F., Levi, A.C., and Scoles, G., "Viscosity and Thermal Conductivity of Polar Gases in an Electric Field," Physica (Amsterdam), 49:299-304, 1970.
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? Kochubey, V.F. and Moin, F.B., "Determination of Gas-Kinetic Diameters of Fluoromethane Molecules," Zh. Fiz. Khim., 52:15-17, 1978.
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? Dunlop, P.J., "Viscosities of a Series of Gaseous Fluorocarbons at 25 C," J. Chem. Phys., 100(4):3149-3151, 1994. doi: 10.1063/1.466405
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? Casparian, A.S. and Cole, R.H., "Viscosities of Polar Gases by Relaxation of Capillary Flow," J. Chem. Phys., 60(3):1106-1109, 1974. doi: 10.1063/1.1681120
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? Average absolute deviations of the fit from the experimental data are:
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? Tomassini: 22.5%; Kochubey: 7.1%; Dunlop:7.2%; Casparian: 9.4%.
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? Overall: 10.8%.
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?
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?The Lennard-Jones parameters were estimated.
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?
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!```````````````````````````````````````````````````````````````````````````````
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129.82 !Lower temperature limit [K]
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425.0 !Upper temperature limit [K]
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70000.0 !Upper pressure limit [kPa]
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29.66 !Maximum density [mol/L]
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FEQ R134A.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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NUL !Large molecule identifier
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.4123 !Lennard-Jones coefficient sigma [nm] for ECS method !from scaling R134a
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244.88 !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
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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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1 0 0 !Number of terms in chi (t.c. 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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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 R-41 of Olchowy and Sengers (1989).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Olchowy, G.A. and Sengers, J.V.,
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? "A Simplified Representation for the Thermal Conductivity of Fluids in the Critical Region,"
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? Int. J. Thermophys., 10:417-426, 1989. doi: 10.1007/BF01133538
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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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1.03 !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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0.194e-9 !Xi0 (amplitude) [m]
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0.0496 !Gam0 (amplitude) [-]
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0.5e-9 !Qd_inverse (modified effective cutoff parameter) [m]; generic number, not fitted to data
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475.92 !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 R-41 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,"
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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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317.28 !Critical temperature used in fit (dummy)
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0.05049 1.242 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for R-41 of Cullimore (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Cullimore, I.D., 2010.
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?
|
||
?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. !
|
||
317.28 5897.0 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-7.0970 1.0
|
||
1.7409 1.5
|
||
-1.1668 2.2
|
||
-3.1830 4.8
|
||
0.93827 6.2
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for R-41 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. !
|
||
317.28 9.30 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
18.181 0.58
|
||
-62.193 0.8
|
||
85.171 1.0
|
||
-66.958 1.3
|
||
28.790 1.5
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for R-41 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. !
|
||
317.28 9.30 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
-26.966 0.59
|
||
54.303 0.72
|
||
-36.361 0.86
|
||
-17.816 3.2
|
||
-48.535 7.0
|
||
-86.727 15.0
|
||
|
||
|
||
@END
|
||
c 1 2 3 4 5 6 7 8
|
||
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
||
|
||
|
||
@EOS !Equation of state specification
|
||
ECS Thermodynamic Extended Corresponding States model w/ T-dependent shape factors.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Huber, M.L. and Ely, J.F.,
|
||
? "A predictive extended corresponding states model for pure and mixed
|
||
? refrigerants including an equation of state for R134a,"
|
||
? Int. J. Refrigeration, 17(1):18-31, 1994. doi: 10.1016/0140-7007(94)90083-3
|
||
?
|
||
?shape factors fit by M.L. Huber (04-17-96), NIST, Boulder, CO
|
||
? based on vapor pressure and saturated liquid density data of:
|
||
? J.W. Magee, unpublished data, NIST, Boulder, CO, 1996.
|
||
? C.D. Holcomb, unpublished data, NIST, Boulder, CO, 1996.
|
||
?
|
||
?the ideal-gas contribution is computed with a polynomial Cp0 fit based on:
|
||
? Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.J., McDonald, R.A., and
|
||
? Syverd, A.N.,
|
||
? "JANAF Thermochemical Tables,"
|
||
? Third Edition, J. Phys. Chem. Ref. Data, 14(suppl. 1):1-1856, 1985.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
144.0 !Lower temperature limit [K] (based on Ttp/Tc of ref fluid)
|
||
400.0 !Upper temperature limit [K]
|
||
40000.0 !Upper pressure limit [kPa]
|
||
28.20 !Maximum density [mol/L] (sat liq density at 144 K)
|
||
CP1 !Pointer to Cp0 model
|
||
R134A.FLD
|
||
BWR !Pointer to reference fluid model
|
||
0.32668 !Acentric factor for R134a used in shape factor correlation
|
||
0.259147 !Critical compressibility for R134a used in correlation
|
||
0.200388 !Acentric factor for R41 used in shape factor correlation
|
||
317.28 !Critical temperature [K]
|
||
5897.0 !Critical pressure [kPa]
|
||
9.30 !Critical density [mol/L]
|
||
2 !Number of temperature coefficients for 'f' shape factor
|
||
-0.080833 0. ! alpha1 of Huber & Ely
|
||
-0.71412 1. ! alpha2 (log(Tr) term)
|
||
0 !Number of density coefficients for 'f' shape factor
|
||
2 !Number of temperature coefficients for 'h' shape factor
|
||
0.50318 0. ! beta1 of Huber & Ely
|
||
-0.043312 1. ! beta2 (log(Tr) term)
|
||
0 !Number of density coefficients for 'h' shape factor
|