450 lines
23 KiB
Plaintext
450 lines
23 KiB
Plaintext
R227ea !Short name
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431-89-0 !CAS number
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1,1,1,2,3,3,3-Heptafluoropropane !Full name
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CF3CHFCF3 !Chemical formula {C3HF7}
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HFC-227ea !Synonym
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170.02886 !Molar mass [g/mol]
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146.35 !Triple point temperature [K]
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256.81 !Normal boiling point [K]
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374.9 !Critical temperature [K]
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2925.0 !Critical pressure [kPa]
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3.495 !Critical density [mol/L]
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0.357 !Acentric factor
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1.456 !Dipole moment [Debye]; Goodwin & Mehl (1997) IJT 18:795-806
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IIR !Default reference state
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10.0 !Version number
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3296 !UN Number :UN:
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halocb !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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3220. !GWP (IPCC 2007) :GWP:
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84000. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL:
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A1 !Safety Group (ASHRAE Standard 34, 2010) :Safety:
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1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H !Standard InChI String :InChi:
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YFMFNYKEUDLDTL-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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40091ee0 !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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! 01-24-97 EWL, Original version.
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! 01-14-02 MLH, Update viscosity and thermal conductivity fits. Propane ref. fluid.
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! 02-14-02 EWL, Add Helmholtz EOS.
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! 05-21-02 MLH, Refit transport using new Helmholtz EOS.
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! 03-14-03 EWL, Replace cp0 equation.
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! 01-29-04 EWL, Add updated coefficients to EOS.
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! 04-19-04 MLH, Update transport references.
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! 03-01-07 EWL, Add final coefficients to EOS.
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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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! 08-04-15 EWL, Minor update to match new manuscript. Refit the saturated density ancillaries.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for R-227ea of Lemmon and Span (2015).
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:TRUECRITICALPOINT: 374.9 3.495 !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/acs.jced.5b00684
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Span, R.,
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? "Thermodynamic Properties of R-227ea, R-365mfc, R-115, and R-13I1,"
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? J. Chem. Eng. Data, 60(12):3745-3758, 2015. doi: 10.1021/acs.jced.5b00684
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?
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?The uncertainties in densities are 0.05 % in the liquid region up to 360 K, 0.3 %
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? in the vapor phase, and 0.5 % in the supercritical region. For vapor
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? pressures, the uncertainties are 0.1 % above 270 K and 0.4 % between 240 K and
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? 270 K (with the higher value at the lower temperature). The uncertainty in heat
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? capacities is 1 % (with increasing uncertainties in the critical region and at
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? high temperatures). For sound speeds, the uncertainties are 0.05 % in the vapor
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? phase up to pressures of 0.5 MPa and 0.03 % in the liquid phase between 280 and
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? 420 K.
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?
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!```````````````````````````````````````````````````````````````````````````````
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146.35 !Lower temperature limit [K]
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475.0 !Upper temperature limit [K]
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60000.0 !Upper pressure limit [kPa]
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11.05 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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170.02886 !Molar mass [g/mol]
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146.35 !Triple point temperature [K]
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0.007331 !Pressure at triple point [kPa]
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11.05 !Density at triple point [mol/L]
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256.81 !Normal boiling point temperature [K]
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0.357 !Acentric factor
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374.9 2925.0 3.495 !Tc [K], pc [kPa], rhoc [mol/L]
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374.9 3.495 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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11 4 7 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.06543703 1.0 4. 0. !a(i),t(i),d(i),l(i)
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2.024341 0.34 1. 0.
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-2.605930 0.77 1. 0.
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0.4957216 0.36 2. 0.
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-0.8240820 0.90 2. 0.
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-1.024610 2.82 1. 1.
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0.6247065 2.10 3. 1.
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0.2997521 0.90 6. 1.
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-0.3539170 1.13 6. 1.
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-1.232043 3.80 2. 2.
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-0.8824483 2.75 3. 2.
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0.1349661 1.5 1. 2. 2. -0.83 -1.72 0.414 1.13 0. 0. 0.
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-0.2662928 2.5 2. 2. 2. -2.19 -5.20 1.051 0.71 0. 0. 0.
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0.1764733 2.5 1. 2. 2. -2.44 -2.31 1.226 1.20 0. 0. 0.
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0.01536163 5.4 1. 2. 2. -3.65 -1.02 1.7 1.7 0. 0. 0.
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-0.004667185 4.0 4. 2. 2. -8.88 -5.63 0.904 0.546 0. 0. 0.
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-11.70854 1.0 2. 2. 2. -8.23 -50.9 1.420 0.896 0. 0. 0.
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0.9114512 3.5 1. 2. 2. -2.01 -1.56 0.926 0.747 0. 0. 0.
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eta beta gamma epsilon
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EXP[eta*(delta-epsilon)^2+beta*(tau-gamma)^2]
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for R-227ea of Lemmon and Span (2015).
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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 8.3144598 !Reducing parameters for T, Cp0
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1 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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11.43 403.0
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12.83 1428.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for R-227ea of Lemmon and Span (2015).
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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 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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-15.8291180706331289 0.0 !aj, ti for [ai*tau**ti] terms
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11.0879540140601485 1.0 !aj, ti for [ai*tau**ti] terms
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11.43 403.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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12.83 1428.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for R-227ea.
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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 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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-15.8291124137 0.0 !aj, ti for [ai*tau**ti] terms
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11.0879509962 1.0
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11.43 -1.0749533209 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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12.83 -3.8090157375
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Propane reference); fitted to data for R-227ea.
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:DOI: 10.1021/ie0300880
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Unpublished; uses method described in the following reference:
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?Huber, M.L., Laesecke, A., and Perkins, R.A.,
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? "Model for the Viscosity and Thermal Conductivity of Refrigerants, Including
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? a New Correlation for the Viscosity of R134a,"
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? Ind. Eng. Chem. Res., 42(13):3163-3178, 2003. doi: 10.1021/ie0300880
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?
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?THERMAL CONDUCTIVITY
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? The ECS parameters for thermal conductivity were based in part on the data of:
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? Perkins, R., Cusco, L., Howley, J., Laesecke, A., Matthes, S., and Ramires, M.L.V., "Thermal Conductivities of Alternatives to CFC-11 for Foam Insulation," J. Chem. Eng. Data, 46(2):428-432, 2001. doi: 10.1021/je990337k
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? Liu, X.J., Shi, L., Duan, Y.Y., Han, L.Z., and Zhu, M.S., "Thermal Conductivity of Gaseous 1,1,1,2,3,3,3-Heptafluoropropane (HFC-227ea)," J. Chem. Eng. Data, 44:882-886, 1999. doi: 10.1021/je9802625
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? Perkins, R., Liquid Phase Data for R227ea, personal communication, NIST, 2002. perkins@boulder.nist.gov
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? Average absolute deviations of the fit from the experimental data are:
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? Perkins, 2001: 1.69%; Liu: 5.90%; Perkins, 2002: 2.20%.
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? Overall: 2.44%.
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?
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?VISCOSITY
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? The ECS parameters for viscosity were based in part on the data of:
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? Laesecke, A. and R. F. Hafer, "Viscosity of Fluorinated Propane Isomers. 2. Measurements of Three Compounds and Model Comparisons," J. Chem. Eng. Data, 43(1):84-92, 1998. doi: 10.1021/je970186q
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? Liu, X.J., Shi, L., Han, L.Z., and Zhu, M.S., "Liquid Viscosity of 1,1,1,2,3,3,3-Heptafluoropropane (HFC-227ea) Along the Saturation Line," J. Chem. Eng. Data, 44:688-692, 1999. doi: 10.1021/je980098l
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? Average absolute deviations of the fit from the experimental data are:
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? Laesecke: 0.68%; Liu: 3.77.
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? Overall: 1.15%.
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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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146.35 !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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11.12 !Maximum density [mol/L]
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FEQ PROPANE.FLD
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VS1 !Model for reference fluid viscosity
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TC1 !Model for reference fluid thermal conductivity
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NUL !Large molecule identifier
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates) !from scaling R134a
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0.5746 !Lennard-Jones coefficient sigma [nm] for ECS method
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289.34 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
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2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.00142313 0. 0. 0. !Coefficient, power of T, spare1, spare2
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8.31496e-9 1. 0. 0. !Coefficient, power of T, spare1, spare2
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3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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0.767583 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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0.25448209 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.0533748 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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1.31223 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.0874448 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 R-227ea 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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562.3275 !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-227ea 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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3 !Number of terms in surface tension model
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374.9 !Critical temperature used in fit (dummy)
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0.06127 1.192 !Sigma0 and n
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-0.009516 0.9795
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-0.00192 1.421
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for R-227ea of Lemmon and Span (2015).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
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? are the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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374.9 2925.0 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-7.7961 1.0
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2.1366 1.5
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-2.6023 2.2
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-5.7444 4.8
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2.3982 6.2
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for R-227ea of Lemmon and Span (2015).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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374.9 3.495 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-0.29926 0.15
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2.8025 0.3
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-1.9602 0.44
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2.0784 0.6
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0.21701 2.75
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for R-227ea of Lemmon and Span (2015).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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374.9 3.495 !Reducing parameters
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7 0 0 0 0 0 !Number of terms in equation
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-109.367 0.64
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332.88 0.77
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-485.87 0.96
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417.10 1.2
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-174.52 1.45
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-52.695 5.35
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-114.41 12.0
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@END
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c 1 2 3 4 5 6 7 8
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c2345678901234567890123456789012345678901234567890123456789012345678901234567890
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@EOS !Equation of state specification
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ECS Thermodynamic Extended Corresponding States model w/ T-dependent shape factors.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Huber, M.L. and Ely, J.F.,
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? "A predictive extended corresponding states model for pure and mixed
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? refrigerants including an equation of state for R134a,"
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? Int. J. Refrigeration, 17(1):18-31, 1994. doi: 10.1016/0140-7007(94)90083-3
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?
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?ECS parameters fitted by Eric W. Lemmon, NIST, 07-28-98
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? Average absolute deviations of the fit from the experimental data are:
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? PVT: 0.04%; Psat: 0.10%;
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?
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?DATA SOURCES
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? Defibaugh, D.R. and Moldover, M.R. Compressed and saturated liquid densities for 18 halogenated organic compounds. J. Chem. Eng. Data, 42(1):160-168 (1997).
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? Tuerk, M., Zhai, J., Nagel, M., Bier, K. Measurement of the vapor pressure and the critical properties of new refrigerants. VDI Fortschritt-Bericht, Series 19, Number 79, 1995.
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?
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!```````````````````````````````````````````````````````````````````````````````
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200.0 !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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10.1448 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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R12.FLD
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FEQ !Pointer to reference fluid model
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0.17948 !Acentric factor for R12 used in shape factor correlation
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0.27643 !Critical compressibility for R12 used in correlation
|
|
0.3632 !Acentric factor for fluid used in shape factor correlation
|
|
374.885 !Critical temperature [K]
|
|
2929.0 !Critical pressure [kPa]
|
|
3.4347 !Critical density [mol/L]
|
|
3 !Number of temperature coefficients for 'f' shape factor
|
|
0.505817895 0. ! alpha1 of Huber & Ely
|
|
-0.338008276 1. ! alpha2 (log(Tr) term)
|
|
-0.0885283625 1.
|
|
0 !Number of density coefficients for 'f' shape factor
|
|
2 !Number of temperature coefficients for 'h' shape factor
|
|
-0.133630301 0. ! beta1 of Huber & Ely
|
|
0.034841587 1. ! beta2 (log(Tr) term)
|
|
0 !Number of density coefficients for 'h' shape factor
|
|
|
|
|
|
@AUX !---Auxiliary model specification for Cp0
|
|
CP1 ideal gas heat capacity function; coefficients from Refprop v5.10
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?coefficients from Refprop v5.10
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1.0 1.0 !Reducing parameters for T, Cp0
|
|
3 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
|
21.65531 0.0
|
|
0.47686291 1.0
|
|
-0.0003153618 2.0
|
|
|
|
|
|
@EOS !Equation of state specification
|
|
BWR !MBWR equation of state for R-227ea
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Wang, Y., Hu, P., Chen, Z.,
|
|
? "MBWR Equation of State of HFC-227ea,"
|
|
? Journal of Xi'an Jiaotong University, 41:37-45, 2007.
|
|
? This form is not working. Original units are K for temperature,
|
|
? Pa for pressure, kg/m^3 for density, and 48.9001 J/kg/K for R
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
204. !Lower temperature limit [K]
|
|
473.0 !Upper temperature limit [K]
|
|
53000.0 !Upper pressure limit [kPa]
|
|
11.05 !Maximum density [mol/L]
|
|
CPP !Pointer to Cp0 model
|
|
170.02886 !Molar mass [g/mol]
|
|
146.35 !Triple point temperature [K]
|
|
0.0073 !Pressure at triple point [kPa]
|
|
11.05 !Density at triple point [mol/L]
|
|
256.81 !Normal boiling point temperature [K]
|
|
0.357 !Acentric factor
|
|
375.04 2930.0 3.47 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
375.04 3.47 !Reducing parameters [K, mol/L]
|
|
590. !gamma
|
|
48.9001 !Gas constant [L-bar/mol-K]
|
|
32 1 !Nterm, Ncoeff per term
|
|
15.66639243 -855.9575992 13599.23073
|
|
-1267260.81 62224744.31 -0.005539691506
|
|
5.149274238 -1751.804831 578784.3452
|
|
0.2344966724e-5 0.2018501537e-4 -0.3157026595
|
|
-0.1215784345e-5 0.6913185516e-7 -0.000213234945
|
|
0.4524032328e-9 -0.1721760456e-12 0.6179610558e-10
|
|
-0.12927202e-13 -313609.6522 -14462311.28
|
|
-0.815875825 -53.70365807 -0.5966158313e-6
|
|
-0.4947115132e-4 -0.362571826e-12 -0.3346095945e-7
|
|
-0.2524906727e-18 0.495267272e-16 0.5397105723e-25
|
|
-0.5080095138e-22 -0.3846349828e-20
|