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一些优化：CAN和PLC地址的优化

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R236fa !Short name
690-39-1 !CAS number
1,1,1,3,3,3-Hexafluoropropane !Full name
CF3CH2CF3 !Chemical formula {C3H2F6}
HFC-236fa !Synonym
152.0384 !Molar mass [g/mol]
179.6 !Triple point temperature [K]
271.66 !Normal boiling point [K]
398.07 !Critical temperature [K]
3200.0 !Critical pressure [kPa]
3.626 !Critical density [mol/L]
0.377 !Acentric factor
1.982 !Dipole moment [Debye]; Goodwin & Mehl (1997) IJT 18:795-806
IIR !Default reference state
10.0 !Version number
???? !UN Number :UN:
halocb !Family :Family:
???? !Heating value (upper) [kJ/mol] :Heat:
9810. !GWP (IPCC 2007) :GWP:
55000. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL:
A1 !Safety Group (ASHRAE Standard 34, 2010) :Safety:
1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2 !Standard InChI String :InChi:
NSGXIBWMJZWTPY-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
???? !Alternative fluid for mixing rules :AltID:
77fa2150 !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 M. McLinden, NIST Physical and Chemical Properties Division, Boulder, Colorado
! 05-29-97 MM, Original version.
! 05-21-02 MLH, Add new transport coefficients.
! 04-19-04 MLH, Update transport references.
! 08-17-10 IDC, Add ancillary equations.
! 01-30-12 EWL, Add equation of state of Pan et al.
! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
! 03-07-13 MLH, Refit ECS viscosity and tcon with new Pan EOS and new vis data of Meng 2011.
! 02-16-17 KG, Add ancillary equations.
! 11-18-17 MLH, Revised critical enhancment.
________________________________________________________________________________
#EOS !---Equation of state---
FEQ !Helmholtz equation of state for R-236fa of Pan et al. (2012).
:TRUECRITICALPOINT: 398.07 3.626 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
:DOI: 10.1016/j.fluid.2012.02.012
?
?```````````````````````````````````````````````````````````````````````````````
?Pan, J., Rui, X., Zhao, X., and Qiu, L.,
? "An Equation of State for the Thermodynamic Properties of
? 1,1,1,3,3,3-Hexafluoropropane (HFC-236fa),"
? Fluid Phase Equilib., 321:10-16, 2012. doi: 10.1016/j.fluid.2012.02.012
?
?The uncertainties in density of the equation of state are estimated to be
? 0.1% in the compressed liquid region, and 0.5% in the vapor region. The
? uncertainties in vapor pressure are 0.2% at temperature from 280 K to 380 K,
? and 0.4% at temperature above 380 K. The uncertainty in speed of sound in
? the gas region is 0.1%.
?
!```````````````````````````````````````````````````````````````````````````````
179.6 !Lower temperature limit [K]
400.0 !Upper temperature limit [K]
70000.0 !Upper pressure limit [kPa]
11.235 !Maximum density [mol/L]
CPP !Pointer to Cp0 model
152.0384 !Molar mass [g/mol]
179.6 !Triple point temperature [K]
0.1603 !Pressure at triple point [kPa]
11.235 !Density at triple point [mol/L]
271.66 !Normal boiling point temperature [K]
0.377 !Acentric factor
398.07 3200.0 3.626 !Tc [K], pc [kPa], rhoc [mol/L]
398.07 3.626 !Reducing parameters [K, mol/L]
8.314472 !Gas constant [J/mol-K]
10 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
0.04453255 1.07 4. 0. !a(i),t(i),d(i),l(i)
1.777017 0.222 1. 0.
-2.230519 0.66 1. 0.
-0.6708606 1.33 2. 0.
0.1587907 0.227 3. 0.
-1.425119 2.33 1. 2.
-0.6461628 1.94 3. 2.
0.8469985 1.53 2. 1.
-0.5635356 2.65 2. 2.
-0.01535611 0.722 7. 1.
1.156362 1.11 1. 2. 2. -1.02 -1.42 1.13 0.712 0. 0. 0.
-0.4070310 2.31 1. 2. 2. -1.336 -2.31 0.67 0.91 0. 0. 0.
-0.2172753 3.68 3. 2. 2. -1.055 -0.89 0.46 0.677 0. 0. 0.
-1.007176 4.23 3. 2. 2. -5.84 -80.0 1.28 0.718 0. 0. 0.
-0.00006902909 0.614 2. 2. 2. -16.2 -108.0 1.2 1.64 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-236fa of Pan et al. (2012).
?
?```````````````````````````````````````````````````````````````````````````````
?Pan, J., Rui, X., Zhao, X., and Qiu, L., 2012.
?
!```````````````````````````````````````````````````````````````````````````````
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
10.175 0.0
9.8782 962.0
18.236 2394.0
49.934 5188.0
#AUX !---Auxiliary function for PX0
PX0 !Helmholtz energy ideal-gas function for R-236fa of Pan et al. (2012).
?
?```````````````````````````````````````````````````````````````````````````````
?Pan, J., Rui, X., Zhao, X., and Qiu, L., 2012.
?
!```````````````````````````````````````````````````````````````````````````````
1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
9.175 1.0 !ai, ti for [ai*log(tau**ti)] terms
-17.5984116945361393 0.0 !aj, ti for [ai*tau**ti] terms
8.8715179690698527 1.0 !aj, ti for [ai*tau**ti] terms
9.8782 962.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
18.236 2394.0
49.934 5188.0
#AUX !---Auxiliary function for PH0
PH0 !Ideal gas Helmholtz form for R-236fa.
?
?```````````````````````````````````````````````````````````````````````````````
?Pan, J., Rui, X., Zhao, X., and Qiu, L., 2012.
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
9.175 1.0 !ai, ti for [ai*log(tau**ti)] terms
-17.5983848631 0.0 !aj, ti for [ai*tau**ti] terms
8.8715044883 1.0
9.8782 -2.4166603864 !aj, ti for [ai*log(1-exp(ti*tau)] terms
18.236 -6.0140176351
49.934 -13.0328836637
--------------------------------------------------------------------------------
@EOS !---Equation of state---
BWR !MBWR equation of state for R-236fa of Outcalt and McLinden (1995).
?
?```````````````````````````````````````````````````````````````````````````````
?Outcalt, S.L. and McLinden, M.O.,
? "An equation of state for the thermodynamic properties of R236fa,"
? NIST report to sponsor (U.S. Navy, David Taylor Model Basin) under
? contract N61533-94-F-0152, 1995.
?
?The uncertainties are 1% in density, 1% in vapor pressure, and 5% in
? heat capacities.
?
!```````````````````````````````````````````````````````````````````````````````
179.52 !Lower temperature limit [K]
500.0 !Upper temperature limit [K]
40000.0 !Upper pressure limit [kPa]
11.30 !Maximum density [mol/L]
CP1 !Pointer to Cp0 model
152.0393 !Molar mass [g/mol]
179.52 !Triple point temperature [K]
0.162 !Pressure at triple point [kPa]
11.29 !Density at triple point [mol/L]
271.71 !Normal boiling point temperature [K]
0.37721 !Acentric factor
398.07 3200.0 3.626 !Tc [K], pc [kPa], rhoc [mol/L]
398.07 3.626 !Reducing parameters [K, mol/L]
3.626 !gamma
0.08314471 !Gas constant [L-bar/mol-K]
32 1 !Nterm, Ncoeff per term
-0.0661121874831 8.61763902745 -233.732255968
43748.6232843 -5396777.61508 -0.00757588552002
10.7379563512 -10662.6588551 -103047.455432
-0.00194868091617 4.38365228107 -1112.0784388
-0.263710051508 47.7521163113 1978.04035098
-4.85710898935 0.144821196401 -22.1059322936
0.926270169913 5779206.66161 -985511065.626
197199.808018 0.319420123094e+10 7929.46107314
-693606.29561 84.9836259084 2097020.51124
1.10600369167 95.3714711849 -0.00881815206562
9.73194908842 -935.516922205
@AUX !---Auxiliary function for Cp0
CP1 !Ideal gas heat capacity function for R-236fa of Outcalt & McLinden (1995).
?
?```````````````````````````````````````````````````````````````````````````````
?Outcalt, S.L. and McLinden, M.O.,
?
!```````````````````````````````````````````````````````````````````````````````
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
53.4662555 0.0
0.228092134 1.0
0.0000352999168 2.0
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
#TRN !---ECS Transport---
ECS !Extended Corresponding States model (Propane reference); fitted to data for R-236fa.
: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
?
?THERMAL CONDUCTIVITY
? The ECS parameters for thermal conductivity were based in part on the data of:
? 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
? Geller, V., Bivens, D.B., and Yokozeki, A., "Transport Properties and Surface Tension of Hydrofluorocarbons HFC236fa and HFC 245fa," Proc. 20th Int. Congress of Refrig, IIR/IIF, Sydney, 1999.
? Perkins, R., NIST Div. 838.07, 325 Broadway, Boulder CO 80305, perkins@boulder.nist.gov, personal communication, 2002.
? Average absolute deviations of the fit from the experimental data are:
? Perkins, 2001: 1.15%; Geller: 13.89%; Perkins, 2002: 0.36%.
? Overall: 1.41%.
?
?VISCOSITY
? The ECS parameters for viscosity were based in part on the data of:
? Meng, X., Zhang, J., and Wu, J., "Compressed Liquid Viscosity of 1,1,1,3,3-Pentafluoropropane (R245fa) and 1,1,1,3,3,3-Hexafluoropropane (R236fa)," J. Chem. Eng. Data, 56:4956-4964, 2011. doi: 10.1021/je200854k
? 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
? Average absolute deviations of the fit from the experimental data are:
? Laesecke: 0.52%; Meng: 0.34%.
?
?The Lennard-Jones parameters were estimated.
?
!```````````````````````````````````````````````````````````````````````````````
179.52 !Lower temperature limit [K]
500.0 !Upper temperature limit [K]
60000.0 !Upper pressure limit [kPa]
11.30 !Maximum density [mol/L]
FEQ PROPANE.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)
0.5644 !Lennard-Jones coefficient sigma [nm] for ECS method !from scaling R134a
307.24 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method !from scaling R134a
2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
0.00100946 0. 0. 0. !Coefficient, power of T, spare1, spare2
1.21255e-6 1. 0. 0. !Coefficient, power of T, spare1, spare2
3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
1.08017 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
-0.026407 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
0.00605762 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
1.29118 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
-0.0785568 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
TK3 !Pointer to critical enhancement auxiliary function
#AUX !---Auxiliary function for the thermal conductivity critical enhancement
TK3 !Simplified thermal conductivity critical enhancement for R-236fa 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)
0.209e-9 !Xi0 (amplitude) [m]
0.060 !Gam0 (amplitude) [-]
0.641e-9 !Qd_inverse (modified effective cutoff parameter) [m]; generic number, not fitted to data
597.105 !Tref (reference temperature)=1.5*Tc [K]
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
#STN !---Surface tension---
ST1 !Surface tension model for R-236fa of Mulero et al. (2012).
:DOI: 10.1063/1.4768782
?
?```````````````````````````````````````````````````````````````````````````````
?Mulero, A., Cachadiña, I., and Parra, M.I.,
? "Recommended Correlations for the Surface Tension of Common Fluids,"
? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
1 !Number of terms in surface tension model
398.07 !Critical temperature used in fit (dummy)
0.05389 1.249 !Sigma0 and n
#PS !---Vapor pressure---
PS5 !Vapor pressure equation for R-236fa of Gao (2017).
?
?```````````````````````````````````````````````````````````````````````````````
?Gao, K., 2017.
?
?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. !
398.07 3200.0 !Reducing parameters
4 0 0 0 0 0 !Number of terms in equation
-8.1978 1.0
3.5942 1.5
-3.7047 2.0
-5.5891 4.8
#DL !---Saturated liquid density---
DL1 !Saturated liquid density equation for R-236fa of Gao (2017).
?
?```````````````````````````````````````````````````````````````````````````````
?Gao, K., 2017.
?
?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. !
398.07 3.626 !Reducing parameters
6 0 0 0 0 0 !Number of terms in equation
8.0698 0.5
-27.224 0.8
64.951 1.1
-77.118 1.4
49.269 1.8
-15.134 2.2
#DV !---Saturated vapor density---
DV3 !Saturated vapor density equation for R-236fa of Gao (2017).
?
?```````````````````````````````````````````````````````````````````````````````
?Gao, K., 2017.
?
?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. !
398.07 3.626 !Reducing parameters
5 0 0 0 0 0 !Number of terms in equation
-3.5310 0.425
-7.9365 1.35
-26.088 3.5
-70.949 7.2
-173.18 15.0
@END
c 1 2 3 4 5 6 7 8
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