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一些优化：CAN和PLC地址的优化

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Methyl linolenate !Short name
301-00-8 !CAS number
Methyl (Z,Z,Z)-9,12,15-octadecatrienoate !Full name
C19H32O2 !Chemical formula {C19H32O2}
Methyl ester linolenic acid !Synonym
292.45618 !Molar mass [g/mol]
218.65 !Triple point temperature [K]
629.13 !Normal boiling point [K]
772.0 !Critical temperature [K]
1369.0 !Critical pressure [kPa]
0.8473 !Critical density [mol/L]
1.14 !Acentric factor
1.54 !Dipole moment [Debye]
NBP !Default reference state
10.0 !Version number
???? !UN Number :UN:
FAME !Family :Family:
???? !Heating value (upper) [kJ/mol] :Heat:
1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10- :InChi: !Standard InChI String
DVWSXZIHSUZZKJ-YSTUJMKBSA-N !Standard InChI Key :InChiKey:
111888d0 (decane) !Alternative fluid for mixing rules :AltID:
298c8c80 !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.L. Huber, NIST Physical and Chemical Properties Division, Boulder, Colorado
! 03-25-08 MLH, Original version.
! 08-27-08 EWL, Add equation of state.
! 11-21-08 MLH, Add preliminary predictive transport.
! 08-20-10 IDC, Add ancillary equations.
! 10-25-10 MLH, Revise thermal conductivity estimation, based on methyl oleate.
! 11-06-10 MLH, Revise ECS viscosity based on Knothe 2007 data.
! 12-28-16 MLH, Add preliminary surface tension.
! 02-16-17 KG, Add ancillary equations.
! 05-17-17 MLH, Refit viscosity based on 2011 data, changed surface tension estimate.
________________________________________________________________________________
#EOS !---Equation of state---
FEQ !Helmholtz equation of state for methyl linolenate of Huber et al. (2009).
:TRUECRITICALPOINT: 772.0 0.8473 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
:DOI: 10.1021/ef900159g
?
?```````````````````````````````````````````````````````````````````````````````
?Huber, M.L., Lemmon, E.W., Kazakov, A., Ott, L.S., and Bruno, T.J.,
? "Model for the Thermodynamic Properties of a Biodiesel Fuel,"
? Energy & Fuels, 23:3790-3797, 2009.
?
?The uncertainties in the liquid phase between 270 K and 350 K are 0.6% for
? density, 0.4% for speed of sound, and 5% for heat capacity. The uncertainty
? in vapor pressure between 350 K and 500 K is 5%, and increases at lower
? temperatures due to the limited data and very low pressures. Uncertainties in
? the critical region and the vapor phase are unknown due to the lack of data.
?
!```````````````````````````````````````````````````````````````````````````````
218.65 !Lower temperature limit [K]
1000.0 !Upper temperature limit [K]
50000.0 !Upper pressure limit [kPa]
3.29 !Maximum density [mol/L]
CPP !Pointer to Cp0 model
292.45618 !Molar mass [g/mol]
218.65 !Triple point temperature [K]
0.00000000000000828 !Pressure at triple point [kPa]
3.28 !Density at triple point [mol/L]
629.13 !Normal boiling point temperature [K]
1.14 !Acentric factor
772.0 1369.0 0.8473 !Tc [K], pc [kPa], rhoc [mol/L]
772.0 0.8473 !Reducing parameters [K, mol/L]
8.314472 !Gas constant [J/mol-K]
10 4 3 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
0.04070829 1.0 4. 0. !a(i),t(i),d(i),l(i)
2.412375 0.15 1. 0.
-3.756194 1.24 1. 0.
-0.1526466 1.60 2. 0.
0.04682918 1.28 3. 0.
-1.470958 2.9 1. 2.
-0.76455 3.15 3. 2.
1.908964 2.16 2. 1.
-1.629366 2.8 2. 2.
-0.01242073 1.4 7. 1.
2.180707 2.5 1. 2. 2. -1.1 -0.9 1.14 0.79 0. 0. 0.
-0.7537264 3.0 1. 2. 2. -1.6 -0.65 0.65 0.9 0. 0. 0.
-0.4347781 3.10 3. 2. 2. -1.1 -0.75 0.77 0.76 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 methyl linolenate of Huber et al. (2009).
?
?```````````````````````````````````````````````````````````````````````````````
?TDE 3.0 internal version, March 2008, Planck-Einstein form
? based on estimation from Joback method, uncertainty is 10%.
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
1.0 1.0 !Reducing parameters for T, Cp0
1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
79.5913 0.214648
290.379 1213.24
81.4323 578.752
474.881 2799.79
#AUX !---Auxiliary function for PX0
PX0 !Helmholtz energy ideal-gas function for methyl linolenate of Huber et al. (2009).
?
?```````````````````````````````````````````````````````````````````````````````
?TDE 3.0 internal version, March 2008, Planck-Einstein form
? based on estimation from Joback method, uncertainty is 10%.
?
!```````````````````````````````````````````````````````````````````````````````
1 3 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
-1.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
199.7367719015182388 0.0 !aj, ti for [ai*tau**ti] terms
-31.8766481192352948 1.0 !aj, ti for [ai*tau**ti] terms
9.5726363365182188 -0.214648
34.9245780224952185 1213.24
9.7940578172017858 578.752
57.1150755939670276 2799.79
================================================================================
#TCX !---Thermal conductivity---
TC1 !Pure fluid thermal conductivity model for methyl linolenate of Huber (2018).
: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
?
?The correlation below is an estimation, based on results for methyl oleate, adjusted for
? application to methyl linolenate.
?
?The estimated uncertainty of the correlation for the liquid phase is 5%. The dilute gas is
? based on predicted values and uncertainties are larger, on the order of 10-30%.
?
!```````````````````````````````````````````````````````````````````````````````
235.0 !Lower temperature limit [K]
1000.0 !Upper temperature limit [K]
50000.0 !Upper pressure limit [kPa]
3.29 !Maximum density [mol/L]
4 0 !# terms for dilute gas function: numerator, denominator
772.0 1.0 !Reducing parameters for T, tcx
-0.00027125 0.
0.00259365 1.
0.0350241 2.
-0.00902273 3.
10 0 !# terms for background gas function: numerator, denominator
772.0 0.8473 1. !Reducing parameters for T, rho, tcx
-0.0410106 0. 1. 0.
0.0328443 0. 2. 0.
-0.00418506 0. 3. 0.
0.0 0. 4. 0.
0.0 0. 5. 0.
0.0606657 1. 1. 0.
-0.0498407 1. 2. 0.
0.0121752 1. 3. 0.
0.0 1. 4. 0.
0.0 1. 5. 0.
TK3 !Pointer to critical enhancement auxiliary function
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
@TRN !---ECS Transport---
ECS !Extended Corresponding States model (Propane reference) for methyl linolenate.
:DOI: 10.6028/NIST.IR.8209
?
?```````````````````````````````````````````````````````````````````````````````
?Huber, M.L., (2018) "Models for the Viscosity, Thermal Conductivity, and
? Surface Tension of Selected Pure Fluids as Implemented in REFPROP v10.0",
? NISTIR 8209; doi: 10.6028/NIST.IR.8209
?
?VISCOSITY
? Estimated uncertainty of liquid at atmospheric pressure is 3 %,
? Estimated uncertainty otherwise approximately 10-50%
? Values based on estimation method of extended corresponding states;
?
?THERMAL CONDUCTIVITY
? Values based on estimation method of
? extended corresponding states; Estimated uncertainty approximately 10-50%
?
?The Lennard-Jones parameters were estimated with the method of Chung.
?
!```````````````````````````````````````````````````````````````````````````````
235.0 !Lower temperature limit [K]
1000.0 !Upper temperature limit [K]
50000.0 !Upper pressure limit [kPa]
3.29 !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)
0.8549 !Lennard-Jones coefficient sigma [nm] from method Chung=0.809vc*(1/3)A
613.04 !Lennard-Jones coefficient epsilon/kappa [K] from Chung=Tc/1.2593
1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
1.04783 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
-0.0251965 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
1.20 0. 0. 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 methyl linolenate 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)
0.284e-9 !Xi0 (amplitude) [m]
0.073 !Gam0 (amplitude) [-]
1.056e-9 !Qd_inverse (modified effective cutoff parameter) [m]; based on butane
1158.0 !Tref (reference temperature)=1.5*Tc [K]
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
#STN !---Surface tension---
ST1 !Surface tension predictive model for methyl linolenate of Huber (2018).
:DOI: 10.1063/1.4878755
?
?```````````````````````````````````````````````````````````````````````````````
?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
?
?No data available; predictive only; estimated uncertainty is 5%.
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
1 !Number of terms in surface tension model
772. !Critical temperature used in fit (dummy)
0.0565 1.31 !Sigma0 and n
#PS !---Vapor pressure---
PS5 !Vapor pressure equation for methyl linolenate 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. !
772.0 1369.0 !Reducing parameters
5 0 0 0 0 0 !Number of terms in equation
-14.278 1.0
8.9382 1.5
-12.931 2.5
-8.8964 7.5
-15.101 16.5
#DL !---Saturated liquid density---
DL1 !Saturated liquid density equation for methyl linolenate 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. !
772.0 0.8473 !Reducing parameters
7 0 0 0 0 0 !Number of terms in equation
6.5939 0.562
-128.14 1.65
324.0 2.0
-428.90 2.6
678.52 3.5
-594.80 4.0
147.40 4.7
#DV !---Saturated vapor density---
DV3 !Saturated vapor density equation for methyl linolenate 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. !
772.0 0.8473 !Reducing parameters
7 0 0 0 0 0 !Number of terms in equation
-10.475 0.634
35.206 1.67
-59.756 1.96
-219.92 6.0
424.84 7.8
-499.71 9.4
-775.89 23.3
@END
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