364 lines
17 KiB
Plaintext
364 lines
17 KiB
Plaintext
RE245fa2 !Short name
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1885-48-9 !CAS number
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2,2,2-Trifluoroethyl-difluoromethyl-ether !Full name
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CHF2OCH2CF3 !Chemical formula {C3H3F5O}
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HFE-245fa2 !Synonym
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150.047336 !Molar mass [g/mol]
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250. !Triple point temperature [K] (unknown)
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302.4 !Normal boiling point [K]
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444.88 !Critical temperature [K]
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3433.0 !Critical pressure [kPa]
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3.432258 !Critical density [mol/L]
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0.387 !Acentric factor
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1.631 !Dipole moment [Debye]; DIPPR DIADEM 2012
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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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1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2 !Standard InChI String :InChi:
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ZASBKNPRLPFSCA-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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a7275d70 !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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! 11-20-10 YZ, Original version.
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! 12-02-10 MLH, Add ECS transport.
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! 04-01-13 SH, Add ancillary equations.
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! 04-06-13 EWL, Add dipole moment.
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! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
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! 11-15-17 MLH, Revised critical enhancement, viscosity fit.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for R-E245fa2 of Zhou and Lemmon (2018).
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:TRUECRITICALPOINT: 444.88 3.432258 !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:
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y. and Lemmon, E.W.,
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?"Equations of State for RE245cb2, RE347mcc, RE245fa2, and R1216,"
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? to be submitted to J. Phys. Chem. Ref. Data, 2018.
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?
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?The uncertainties in density of the equation of state range from 0.2 % in the
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? compressed liquid region to 1.0 % in the critical and vapor regions. The
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? uncertainties in vapor pressure are below 0.5 % at higher temperature, and
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? increase substantially at lower temperature due to a lack of experimental data.
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? In the critical region, the uncertainties are higher for all properties except
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? vapor pressure.
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?
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!```````````````````````````````````````````````````````````````````````````````
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250. !Lower temperature limit [K]
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500.0 !Upper temperature limit [K]
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400000.0 !Upper pressure limit [kPa]
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10.02 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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150.047336 !Molar mass [g/mol]
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250. !Triple point temperature [K]
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8.272 !Pressure at triple point [kPa]
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10. !Density at triple point [mol/L]
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302.4 !Normal boiling point temperature [K]
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0.387 !Acentric factor
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444.88 3433.0 3.432258 !Tc [K], pc [kPa], rhoc [mol/L]
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444.88 3.432258 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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10 4 4 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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0.047771378 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.5745383 0.32 1. 0.
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-2.4763491 0.91 1. 0.
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-0.49414564 1.265 2. 0.
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0.19380498 0.4266 3. 0.
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-0.97863158 2.24 1. 2.
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-0.42660297 1.64 3. 2.
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0.85352583 1.65 2. 1.
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-0.53380114 3.28 2. 2.
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-0.029780036 0.855 7. 1.
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0.97659111 1.227 1. 2. 2. -1.005 -2.0 1.084 0.723 0. 0. 0.
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-0.33121365 3.0 1. 2. 2. -1.515 -3.42 0.720 0.9488 0. 0. 0.
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-0.14122591 4.3 3. 2. 2. -1.156 -1.37 0.490 0.8180 0. 0. 0.
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-15.312295 2.5 3. 2. 2. -17.7 -471.0 1.152 0.891 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-E245fa2 of Zhou et al. (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y. and Lemmon, E.W., 2018.
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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 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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5.259865 0.0
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12.12843 486.0
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13.25677 1762.0
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0.521867 7631.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for R-E245fa2 of Zhou et al. (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y. and Lemmon, E.W., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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4.259865 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-16.5388973819732072 0.0 !aj, ti for [ai*tau**ti] terms
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10.1324386714417312 1.0 !aj, ti for [ai*tau**ti] terms
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12.12843 486.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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13.25677 1762.0
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0.521867 7631.0
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (R134a reference); fit to limited data for R-E245fa2.
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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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?VISCOSITY
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? D. Ripple and O. Mater, "Viscosity of Saturated Liquid Phase of Six Halogenated Compounds and Three Mixtures," J. Chem. Eng. Data, 38:560-564, 1993.
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?
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?Estimated uncertainty along saturated liquid boundary 3-5%.
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?Estimated uncertainty in gas phase approximately 10-30%.
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?
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?THERMAL CONDUCTIVITY
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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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?
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?Estimated uncertainty in the gas phase (except near critical) 3-5%.
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? Liquid phase data not found, estimated uncertainty for liquid is approximately 10-20%.
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?
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?The Lennard-Jones parameters were estimated with the method of Chung.
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?
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!```````````````````````````````````````````````````````````````````````````````
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250.0 !Lower temperature limit [K]
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500.0 !Upper temperature limit [K]
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400000.0 !Upper pressure limit [kPa]
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10.02 !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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0.5363 !Lennard-Jones coefficient sigma [nm] from method Chung
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353.28 !Lennard-Jones coefficient epsilon/kappa [K] from Chung method
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2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.001668 0. 0. 0. !Coefficient, power of T, spare1, spare2
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-1.3154e-6 1. 0. 0. !Coefficient, power of T, spare1, spare2
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2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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1.10656 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-3.37904e-2 0. 1. 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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0.61384 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare; from fit of re245cb- no data for re245fa
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0.12385 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare; from fit of re245cb- no data for re245fa
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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-E245fa2 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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0.212e-9 !Xi0 (amplitude) [m]
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0.061 !Gam0 (amplitude) [-]
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0.653e-9 !Qd_inverse (modified effective cutoff parameter) [m]; R125 value
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667.32 !Tref (reference temperature)=1.5*Tc [K]
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********************************************************************************
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@ETA !---Viscosity---
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VS5 !Pure fluid viscosity model for R-E245fa2 of Chung et al. (1988).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Chung, T-H., Ajlan, M., Lee, L.L. and Starling, K.E.
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? "Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties"
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? Ind. Eng. Chem. Res. 1998, 27, 671-679.
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?
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!```````````````````````````````````````````````````````````````````````````````
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250.0 !Lower temperature limit [K]
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500.0 !Upper temperature limit [K]
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400000.0 !Upper pressure limit [kPa]
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10.02 !Maximum density [mol/L]
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1 !Number of terms associated with dilute-gas function
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NUL !Pointer to reduced effective collision cross-section model; not used
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0.5363 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A
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353.28 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593
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1.0 1.0 !Reducing parameters for T, eta
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0.26161 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term]
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0 !Number of terms for initial density dependence
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0.387 0.0 0.0 0. 0 !w, mur, kappa for Chung
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0 !Additional parameters for Chung
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NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
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@TCX !---Thermal conductivity---
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TC5 !Pure fluid thermal conductivity model for R-E245fa2 of Chung et al. (1988).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Chung, T-H., Ajlan, M., Lee, L.L. and Starling, K.E.
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? "Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties"
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? Ind. Eng. Chem. Res. 1998, 27, 671-679.
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?
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!```````````````````````````````````````````````````````````````````````````````
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250. !Lower temperature limit [K]
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500.0 !Upper temperature limit [K]
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400000.0 !Upper pressure limit [kPa]
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10.02 !Maximum density [mol/L]
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0.5363 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A
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353.28 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593
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0.387 0. 0. !w, mur, kappa for Chung
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0 !Additional parameters for Chung
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TK3 !Pointer to critical enhancement auxiliary function
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for R-E245fa2 of Mulero et al. (2014).
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:DOI: 10.1063/1.4878755
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mulero, A. and Cachadiña, I.,
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? "Recommended Correlations for the Surface Tension of Several Fluids
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? Included in the REFPROP Program,"
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? J. Phys. Chem. Ref. Data, 43, 023104, 2014.
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? doi: 10.1063/1.4878755
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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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444.88 !Critical temperature used in fit (dummy)
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0.0699 1.222 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for R-E245fa2 of Herrig (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Herrig, S., 2013.
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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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444.58 3433.0 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-8.9235 1.0
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10.527 1.5
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-23.058 1.9
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30.291 2.4
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-20.913 2.9
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for R-E245fa2 of Herrig (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Herrig, S., 2013.
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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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444.88 3.432258 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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1.2479 0.34
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5.5732 0.75
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-12.260 1.2
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13.964 1.7
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-6.0384 2.3
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for R-E245fa2 of Herrig (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Herrig, S., 2013.
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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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444.88 3.432258 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-0.6670 0.28
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-5.8238 0.66
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-26.927 2.6
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21.574 3.5
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-65.645 5.2
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@END
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