416 lines
20 KiB
Plaintext
416 lines
20 KiB
Plaintext
R236ea !Short name
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431-63-0 !CAS number
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1,1,1,2,3,3-Hexafluoropropane !Full name
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CF3CHFCHF2 !Chemical formula {C3H2F6}
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HFC-236ea !Synonym
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152.0384 !Molar mass [g/mol]
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170.0 !Triple point temperature [K] predicted value, est unc 5%
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279.322 !Normal boiling point [K]
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412.44 !Critical temperature [K]
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3420.0 !Critical pressure [kPa]
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3.71616644 !Critical density [mol/L]
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0.369 !Acentric factor
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1.129 !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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???? !UN Number :UN:
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halocb !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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1410. !GWP (WMO 2010) :GWP:
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1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H !Standard InChI String :InChi:
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FYIRUPZTYPILDH-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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93fd5d40 !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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! 06-10-96 EWL, Original version.
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! 05-21-02 MLH, Add transport fits.
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! 04-19-04 MLH, Update transport references.
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! 08-17-10 IDC, Add ancillary equations.
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! 10-21-10 MLH, Add predicted triple point temperature from DIPPR jan2010 sponsor version.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 12-17-12 EWL, Add equation of state of Rui et al.
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! 03-07-13 MLH, Refit ECS transport with new EOS of Rui.
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! 11-19-17 MLH, Revise critical enhancement.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for R-236ea of Rui et al. (2013).
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:TRUECRITICALPOINT: 412.409 3.747823 !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: 10.1016/j.fluid.2012.12.026
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Rui, X., Pan, J., and Wang, Y.,
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? "An Equation of State for Thermodynamic Properties of
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? 1,1,1,2,3,3-Hexafluoropropane (R236ea),"
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? Fluid Phase Equilib., 341:75-85, 2013. doi: 10.1016/j.fluid.2012.12.026
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?
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?The uncertainties in density of the equation of state are estimated to be 0.1%
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? in the compressed liquid region, and 0.5% in the vapor region. The
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? uncertainties in vapor pressure are 0.2% at temperatures from 280 K to 370 K,
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? and 0.4% at temperatures outside of this range. The uncertainty in speed of
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? sound is 0.1% in the vapor region and 2% in the liquid region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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240.0 !Lower temperature limit [K]
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420.0 !Upper temperature limit [K]
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6000.0 !Upper pressure limit [kPa]
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11.71 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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152.0384 !Molar mass [g/mol]
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170.0 !Triple point temperature [K] predicted value, est unc 5%
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0.02 !Pressure at triple point [kPa]
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11.7 !Density at triple point [mol/L]
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279.322 !Normal boiling point temperature [K]
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0.369 !Acentric factor
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412.44 3420.0 3.71616644 !Tc [K], pc [kPa], rhoc [mol/L]
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412.44 3.71616644 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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10 4 5 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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0.051074 1.0 4. 0. !a(i),t(i),d(i),l(i)
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2.5584 0.264 1. 0.
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-2.9180 0.5638 1. 0.
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-0.71485 1.306 2. 0.
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0.15534 0.2062 3. 0.
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-1.5894 2.207 1. 2.
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-0.784 2.283 3. 2.
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0.85767 1.373 2. 1.
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-0.67235 2.33 2. 2.
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-0.017953 0.6376 7. 1.
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1.3165 1.08 1. 2. 2. -1.019 -1.30 1.13 0.7119 0. 0. 0.
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-0.42023 1.67 1. 2. 2. -1.341 -2.479 0.6691 0.9102 0. 0. 0.
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-0.28053 3.502 3. 2. 2. -1.034 -1.068 0.465 0.678 0. 0. 0.
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-1.4134 4.357 3. 2. 2. -5.264 -79.850 1.280 0.7091 0. 0. 0.
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-0.0000062617 0.6945 2. 2. 2. -24.44 -49.06 0.8781 1.727 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-236ea of Rui et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Rui, X., Pan, J., and Wang, Y., 2013.
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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 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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3.762 0.0
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0.7762 144.0
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10.41 385.0
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12.18 1536.0
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3.332 7121.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for R-236ea of Rui et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Rui, X., Pan, J., and Wang, Y., 2013.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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2.762 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-14.1214509664740717 0.0 !aj, ti for [ai*tau**ti] terms
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10.2355719335625732 1.0 !aj, ti for [ai*tau**ti] terms
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0.7762 144.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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10.41 385.0
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12.18 1536.0
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3.332 7121.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for R-236ea.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Rui, X., Pan, J., and Wang, Y., 2013.
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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 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
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2.762 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-14.121424135 0.0 !aj, ti for [ai*tau**ti] terms
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10.2355589225 1.0
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0.7762 -0.3491416933 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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10.41 -0.9334691107
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12.18 -3.7241780623
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3.332 -17.2655416545
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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ECS !Extended Corresponding States model w/ T- and rho-dependent shape factors for R-236ea.
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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, 06-10-97
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?DATA SOURCES
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? Defibaugh, D.R., Gillis, K.A., Moldover, M.R., Schmidt, J.W., and Weber, L.A., Thermodynamic properties of CF3-CF-CHF2, 1,1,1,2,3,3-hexafluoropropane. Fluid Phase Equilibria, 122:131-155 (1996). doi: 10.1016/0378-3812(96)03003-8
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? Average absolute deviations of the fit from the experimental data are:
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? PVT: 0.07%; Psat: 0.05%;
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?
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?The uncertainty in density is 0.3% at temperatures up to 360 K, and 1% at
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? higher temperatures. The uncertainty in vapor pressure is 1.5% from the
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? triple point temperature to 270 K, and 0.5% from 270 K to the critical point
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? temperature. The vapor phase uncertainty for the speed of sound and isobaric
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? heat capacity is less than 0.5%. The uncertainties of heat capacities and
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? speeds of sound in the liquid phase are unknown due to a lack of experimental
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? data.
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?
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!```````````````````````````````````````````````````````````````````````````````
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240.0 !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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10.465 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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R134A.FLD
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BWR !Pointer to reference fluid model
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0.32668 !Acentric factor for R134a used in shape factor correlation
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0.259147 !Critical compressibility for R134a used in correlation
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0.3794 !Acentric factor for fluid used in shape factor correlation
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412.44 !Critical temperature [K]
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3501.98 !Critical pressure [kPa]
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3.70302 !Critical density [mol/L]
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2 !Number of temperature coefficients for 'f' shape factor
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-0.677869920 0. !Alpha1 of Huber & Ely
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-0.521826510 1. !Alpha2 (log(Tr) term)
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1 !Number of density coefficients for 'f' shape factor
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0.0113833347 1. !Rho coefficient and power in temperature
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3 !Number of temperature coefficients for 'h' shape factor
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1.42369159 0. !Beta1 of Huber & Ely
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0.0870214752 1. !Beta2 (log(Tr) term)
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0.0195298641 1.
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0 !Number of density coefficients for 'h' shape factor
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for R-236ea of Outcalt & McLinden (1995).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Defibaugh, D.R., Gillis, K.A., Moldover, M.R., Schmidt, J.W., and Weber, L.A.,
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? "Thermodynamic properties of CF3-CF-CHF2, 1,1,1,2,3,3-hexafluoropropane,"
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? Fluid Phase Equilibria, 122:131-155, 1996.
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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 8.314471 !Reducing parameters for T, Cp0
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3 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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5.30694 0.0
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0.03973 1.0
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-0.00001859 2.0
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (R134a reference); fitted to data for R-236ea.
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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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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?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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? Perkins, R., NIST Div. 838.07, 325 Broadway, Boulder CO 80305, perkins@boulder.nist.gov, personal communication, 2002.
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? Average absolute deviations of the fit from the experimental data are:
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? Perkins, 2001: 1.52%; Perkins, 2002: 1.17%.
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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 Defibaugh, D.R., "Viscosity of 1,1,1,2,3,3-Hexafluoropropane and 1,1,1,3,3,3-Hexafluoropropane at Saturated-Liquid Conditions from 262 K to 353 K," J. Chem. Eng. Data, 41(1):59-62, 1996. doi: 10.1021/je950206t
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? Average absolute deviations of the fit from the experimental data are:
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? Laesecke: 0.56%.
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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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240.0 !Lower temperature limit [K] (based on Ttp/Tc of ref fluid)
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500.0 !Upper temperature limit [K]
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60000.0 !Upper pressure limit [kPa]
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20.0 !Maximum density [mol/L] (limit of ECS-thermo fit)
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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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0.5604 !Lennard-Jones coefficient sigma [nm] for ECS method
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318.33 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
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3 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.0054277 0. 0. 0. !Coefficient, power of T, spare1, spare2
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-2.33425e-5 1. 0. 0. !Coefficient, power of T, spare1, spare2
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3.46098e-8 2. 0. 0. !Coefficient, power of T, spare1, spare2
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3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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1.19985 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.0906827 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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0.0128243 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
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2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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0.961712 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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0.0337897 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-236ea 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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0.208e-9 !Xi0 (amplitude) [m]
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0.06 !Gam0 (amplitude) [-]
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0.636e-9 !Qd_inverse (modified effective cutoff parameter) [m]; generic number, not fitted to data
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618.66 !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-236ea 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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2 !Number of terms in surface tension model
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412.44 !Critical temperature used in fit (dummy)
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0.306974 1.12614 !Sigma0 and n
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-0.247277 1.09899
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for R-236ea of Lemmon (2012).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W., 2012.
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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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412.44 3420.0 !Reducing parameters
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4 0 0 0 0 0 !Number of terms in equation
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-7.9095 1.0
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2.3374 1.5
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-2.6453 2.15
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-5.7058 4.75
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for R-236ea of Lemmon (2012).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W., 2012.
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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. !
|
||
412.44 3.7162 !Reducing parameters
|
||
4 0 0 0 0 0 !Number of terms in equation
|
||
1.6074 0.31
|
||
1.5021 0.75
|
||
-1.1060 1.3
|
||
0.91146 1.9
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for R-236ea of Lemmon (2012).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W., 2012.
|
||
?
|
||
?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. !
|
||
412.44 3.7162 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-2.7426 0.376
|
||
-6.2268 1.1
|
||
-15.109 2.7
|
||
-49.524 5.5
|
||
-114.11 11.0
|
||
|
||
|
||
@END
|
||
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