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一些优化：CAN和PLC地址的优化

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RE245fa2 !Short name
1885-48-9 !CAS number
2,2,2-Trifluoroethyl-difluoromethyl-ether !Full name
CHF2OCH2CF3 !Chemical formula {C3H3F5O}
HFE-245fa2 !Synonym
150.047336 !Molar mass [g/mol]
250. !Triple point temperature [K] (unknown)
302.4 !Normal boiling point [K]
444.88 !Critical temperature [K]
3433.0 !Critical pressure [kPa]
3.432258 !Critical density [mol/L]
0.387 !Acentric factor
1.631 !Dipole moment [Debye]; DIPPR DIADEM 2012
IIR !Default reference state
10.0 !Version number
???? !UN Number :UN:
halocb !Family :Family:
???? !Heating value (upper) [kJ/mol] :Heat:
1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2 !Standard InChI String :InChi:
ZASBKNPRLPFSCA-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
???? !Alternative fluid for mixing rules :AltID:
a7275d70 !Hash number from InChI Key :Hash:
!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
! end of the fluid file is marked with @END. Anything below that is ignored.
! compiled by E.W. Lemmon, NIST Physical and Chemical Properties Division, Boulder, Colorado
! 11-20-10 YZ, Original version.
! 12-02-10 MLH, Add ECS transport.
! 04-01-13 SH, Add ancillary equations.
! 04-06-13 EWL, Add dipole moment.
! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
! 11-15-17 MLH, Revised critical enhancement, viscosity fit.
________________________________________________________________________________
#EOS !---Equation of state---
FEQ !Helmholtz equation of state for R-E245fa2 of Zhou and Lemmon (2018).
: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)
:DOI:
?
?```````````````````````````````````````````````````````````````````````````````
?Zhou, Y. and Lemmon, E.W.,
?"Equations of State for RE245cb2, RE347mcc, RE245fa2, and R1216,"
? to be submitted to J. Phys. Chem. Ref. Data, 2018.
?
?The uncertainties in density of the equation of state range from 0.2 % in the
? compressed liquid region to 1.0 % in the critical and vapor regions. The
? uncertainties in vapor pressure are below 0.5 % at higher temperature, and
? increase substantially at lower temperature due to a lack of experimental data.
? In the critical region, the uncertainties are higher for all properties except
? vapor pressure.
?
!```````````````````````````````````````````````````````````````````````````````
250. !Lower temperature limit [K]
500.0 !Upper temperature limit [K]
400000.0 !Upper pressure limit [kPa]
10.02 !Maximum density [mol/L]
CPP !Pointer to Cp0 model
150.047336 !Molar mass [g/mol]
250. !Triple point temperature [K]
8.272 !Pressure at triple point [kPa]
10. !Density at triple point [mol/L]
302.4 !Normal boiling point temperature [K]
0.387 !Acentric factor
444.88 3433.0 3.432258 !Tc [K], pc [kPa], rhoc [mol/L]
444.88 3.432258 !Reducing parameters [K, mol/L]
8.314472 !Gas constant [J/mol-K]
10 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
0.047771378 1.0 4. 0. !a(i),t(i),d(i),l(i)
1.5745383 0.32 1. 0.
-2.4763491 0.91 1. 0.
-0.49414564 1.265 2. 0.
0.19380498 0.4266 3. 0.
-0.97863158 2.24 1. 2.
-0.42660297 1.64 3. 2.
0.85352583 1.65 2. 1.
-0.53380114 3.28 2. 2.
-0.029780036 0.855 7. 1.
0.97659111 1.227 1. 2. 2. -1.005 -2.0 1.084 0.723 0. 0. 0.
-0.33121365 3.0 1. 2. 2. -1.515 -3.42 0.720 0.9488 0. 0. 0.
-0.14122591 4.3 3. 2. 2. -1.156 -1.37 0.490 0.8180 0. 0. 0.
-15.312295 2.5 3. 2. 2. -17.7 -471.0 1.152 0.891 0. 0. 0.
eta beta gamma epsilon
EXP[eta*(delta-epsilon)^2+beta*(tau-gamma)^2]
#AUX !---Auxiliary function for Cp0
CPP !Ideal gas heat capacity function for R-E245fa2 of Zhou et al. (2010).
?
?```````````````````````````````````````````````````````````````````````````````
?Zhou, Y. and Lemmon, E.W., 2018.
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
1.0 8.314472 !Reducing parameters for T, Cp0
1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
5.259865 0.0
12.12843 486.0
13.25677 1762.0
0.521867 7631.0
#AUX !---Auxiliary function for PX0
PX0 !Helmholtz energy ideal-gas function for R-E245fa2 of Zhou et al. (2010).
?
?```````````````````````````````````````````````````````````````````````````````
?Zhou, Y. and Lemmon, E.W., 2018.
?
!```````````````````````````````````````````````````````````````````````````````
1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
4.259865 1.0 !ai, ti for [ai*log(tau**ti)] terms
-16.5388973819732072 0.0 !aj, ti for [ai*tau**ti] terms
10.1324386714417312 1.0 !aj, ti for [ai*tau**ti] terms
12.12843 486.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
13.25677 1762.0
0.521867 7631.0
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
#TRN !---ECS Transport---
ECS !Extended Corresponding States model (R134a reference); fit to limited data for R-E245fa2.
:DOI: 10.6028/NIST.IR.8209
?
?```````````````````````````````````````````````````````````````````````````````
?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension
? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018.
? doi: 10.6028/NIST.IR.8209
?
?VISCOSITY
? 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.
?
?Estimated uncertainty along saturated liquid boundary 3-5%.
?Estimated uncertainty in gas phase approximately 10-30%.
?
?THERMAL CONDUCTIVITY
? 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
?
?Estimated uncertainty in the gas phase (except near critical) 3-5%.
? Liquid phase data not found, estimated uncertainty for liquid is approximately 10-20%.
?
?The Lennard-Jones parameters were estimated with the method of Chung.
?
!```````````````````````````````````````````````````````````````````````````````
250.0 !Lower temperature limit [K]
500.0 !Upper temperature limit [K]
400000.0 !Upper pressure limit [kPa]
10.02 !Maximum density [mol/L]
FEQ R134A.FLD
VS1 !Model for reference fluid viscosity
TC1 !Model for reference fluid thermal conductivity
NUL !Large molecule identifier
1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
0.5363 !Lennard-Jones coefficient sigma [nm] from method Chung
353.28 !Lennard-Jones coefficient epsilon/kappa [K] from Chung method
2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
0.001668 0. 0. 0. !Coefficient, power of T, spare1, spare2
-1.3154e-6 1. 0. 0. !Coefficient, power of T, spare1, spare2
2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
1.10656 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
-3.37904e-2 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
0.61384 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare; from fit of re245cb- no data for re245fa
0.12385 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare; from fit of re245cb- no data for re245fa
TK3 !Pointer to critical enhancement auxiliary function
#AUX !---Auxiliary function for the thermal conductivity critical enhancement
TK3 !Simplified thermal conductivity critical enhancement for R-E245fa2 of Perkins et al. (2013).
?
?```````````````````````````````````````````````````````````````````````````````
?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
9 0 0 0 !# terms: CO2-terms, spare, spare, spare
1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
0.63 !Nu (universal exponent)
1.239 !Gamma (universal exponent)
1.02 !R0 (universal amplitude)
0.063 !Z (universal exponent--not used for t.c., only viscosity)
1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
0.212e-9 !Xi0 (amplitude) [m]
0.061 !Gam0 (amplitude) [-]
0.653e-9 !Qd_inverse (modified effective cutoff parameter) [m]; R125 value
667.32 !Tref (reference temperature)=1.5*Tc [K]
********************************************************************************
@ETA !---Viscosity---
VS5 !Pure fluid viscosity model for R-E245fa2 of Chung et al. (1988).
?
?```````````````````````````````````````````````````````````````````````````````
?Chung, T-H., Ajlan, M., Lee, L.L. and Starling, K.E.
? "Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties"
? Ind. Eng. Chem. Res. 1998, 27, 671-679.
?
!```````````````````````````````````````````````````````````````````````````````
250.0 !Lower temperature limit [K]
500.0 !Upper temperature limit [K]
400000.0 !Upper pressure limit [kPa]
10.02 !Maximum density [mol/L]
1 !Number of terms associated with dilute-gas function
NUL !Pointer to reduced effective collision cross-section model; not used
0.5363 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A
353.28 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593
1.0 1.0 !Reducing parameters for T, eta
0.26161 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term]
0 !Number of terms for initial density dependence
0.387 0.0 0.0 0. 0 !w, mur, kappa for Chung
0 !Additional parameters for Chung
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
@TCX !---Thermal conductivity---
TC5 !Pure fluid thermal conductivity model for R-E245fa2 of Chung et al. (1988).
?
?```````````````````````````````````````````````````````````````````````````````
?Chung, T-H., Ajlan, M., Lee, L.L. and Starling, K.E.
? "Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties"
? Ind. Eng. Chem. Res. 1998, 27, 671-679.
?
!```````````````````````````````````````````````````````````````````````````````
250. !Lower temperature limit [K]
500.0 !Upper temperature limit [K]
400000.0 !Upper pressure limit [kPa]
10.02 !Maximum density [mol/L]
0.5363 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A
353.28 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593
0.387 0. 0. !w, mur, kappa for Chung
0 !Additional parameters for Chung
TK3 !Pointer to critical enhancement auxiliary function
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
#STN !---Surface tension---
ST1 !Surface tension model for R-E245fa2 of Mulero et al. (2014).
:DOI: 10.1063/1.4878755
?
?```````````````````````````````````````````````````````````````````````````````
?Mulero, A. and Cachadiña, I.,
? "Recommended Correlations for the Surface Tension of Several Fluids
? Included in the REFPROP Program,"
? J. Phys. Chem. Ref. Data, 43, 023104, 2014.
? doi: 10.1063/1.4878755
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
1 !Number of terms in surface tension model
444.88 !Critical temperature used in fit (dummy)
0.0699 1.222 !Sigma0 and n
#PS !---Vapor pressure---
PS5 !Vapor pressure equation for R-E245fa2 of Herrig (2013).
?
?```````````````````````````````````````````````````````````````````````````````
?Herrig, S., 2013.
?
?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
? are the reducing parameters below, which are followed by rows containing Ni and ti.
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
444.58 3433.0 !Reducing parameters
5 0 0 0 0 0 !Number of terms in equation
-8.9235 1.0
10.527 1.5
-23.058 1.9
30.291 2.4
-20.913 2.9
#DL !---Saturated liquid density---
DL1 !Saturated liquid density equation for R-E245fa2 of Herrig (2013).
?
?```````````````````````````````````````````````````````````````````````````````
?Herrig, S., 2013.
?
?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
? the reducing parameters below, which are followed by rows containing Ni and ti.
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
444.88 3.432258 !Reducing parameters
5 0 0 0 0 0 !Number of terms in equation
1.2479 0.34
5.5732 0.75
-12.260 1.2
13.964 1.7
-6.0384 2.3
#DV !---Saturated vapor density---
DV3 !Saturated vapor density equation for R-E245fa2 of Herrig (2013).
?
?```````````````````````````````````````````````````````````````````````````````
?Herrig, S., 2013.
?
?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. !
444.88 3.432258 !Reducing parameters
5 0 0 0 0 0 !Number of terms in equation
-0.6670 0.28
-5.8238 0.66
-26.927 2.6
21.574 3.5
-65.645 5.2
@END
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