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一些优化：CAN和PLC地址的优化

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Diethyl ether !Short name
60-29-7 !CAS number
Diethyl ether !Full name
C4H10O !Chemical formula {C4H10O}
Ethyl ether !Synonym
74.1216 !Molar mass [g/mol]
156.92 !Triple point temperature [K]
307.604 !Normal boiling point [K]
466.7 !Critical temperature [K]
3720.2 !Critical pressure [kPa]
3.5617 !Critical density [mol/L]
0.29 !Acentric factor
1.151 !Dipole moment [Debye]; DIPPR DIADEM 2012
NBP !Default reference state
10.0 !Version number
1155 !UN Number :UN:
ether !Family :Family:
???? !Heating value (upper) [kJ/mol] :Heat:
1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 !Standard InChI String :InChi:
RTZKZFJDLAIYFH-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
???? !Alternative fluid for mixing rules :AltID:
46a701e0 !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. Thol, Thermodynamics, Ruhr-Universitaet Bochum, Germany
! 08-14-12 MT, Original version.
! 08-14-12 MT, Add ancillary equations.
! 04-01-13 SH, Add ancillary equations.
! 04-06-13 EWL, Add dipole moment.
! 03-26-14 MLH, Add preliminary transport.
! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
! 04-22-14 MT, Add PH0 parameters for NBP.
! 03-29-17 MLH, Refit vis, th cond.
________________________________________________________________________________
#EOS !---Equation of state---
FEQ !Helmholtz equation of state for diethyl ether of Thol et al. (2014).
:TRUECRITICALPOINT: 467.900 3.456402 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
:DOI: 10.1007/s10765-014-1633-1
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Piazza, L., and Span, R.,
? "A New Functional Form for Equations of State for Some Polar and Weakly
? Associating Fluids,"
? Int. J. Thermophys., 35(5):783-811, 2014.
?
!```````````````````````````````````````````````````````````````````````````````
270.0 !Lower temperature limit [K]
500.0 !Upper temperature limit [K]
40000.0 !Upper pressure limit [kPa]
11.48 !Maximum density [mol/L]
CPP !Pointer to Cp0 model
74.1216 !Molar mass [g/mol]
156.92 !Triple point temperature [K]
0.0005555 !Pressure at triple point [kPa]
11.48 !Density at triple point [mol/L]
307.604 !Normal boiling point temperature [K]
0.29 !Acentric factor
466.7 3720.2 3.5617148 !Tc [K], pc [kPa], rhoc [mol/L]
466.7 3.5617148 !Reducing parameters [K, mol/L]
8.314472 !Gas constant [J/mol-K]
16 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
0.376700499 -0.75 1. 0. !a(i),t(i),d(i),l(i)
-0.116630334 -0.25 1. 0.
-0.73801498 1.25 1. 0.
-0.2725701 0.75 2. 0.
-0.04979231 -1.0 3. 0.
0.172267029 -0.375 3. 0.
0.0044161891 1.25 5. 0.
-1.53951612 2.375 1. 1.
1.15606052 3.0 1. 1.
-0.0184504019 2.625 2. 1.
-0.101800599 1.875 5. 1.
-0.403598704 4.5 1. 2.
0.00213055571 5.75 3. 2.
-0.154741976 5.375 4. 2.
0.0120950552 2.75 5. 2.
-0.0143106371 14.5 2. 3.
#AUX !---Auxiliary function for Cp0
CPP !Ideal gas heat capacity function for diethyl ether of Thol et al. (2014).
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Piazza, L., and Span, R., 2014.
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
1.0 8.314472 !Reducing parameters for T, Cp0
4 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
4.36281 0.0
0.03832793 1.0
-0.00001504648 2.0
1.960074e-9 3.0
#AUX !---Auxiliary function for PX0
PX0 !Helmholtz energy ideal-gas function for diethyl ether of Thol et al. (2014).
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Piazza, L., and Span, R., 2014.
?
!```````````````````````````````````````````````````````````````````````````````
1 5 0 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
3.36281 1.0 !ai, ti for [ai*log(tau**ti)] terms
7.030415236514175 0.0 !aj, ti for [ai*tau**ti] terms
0.5095228896650534 1.0 !aj, ti for [ai*tau**ti] terms
0.03832793 -1.0
-0.00001504648 -2.0
1.960074e-9 -3.0
#AUX !---Auxiliary function for PH0
PH0 !Ideal gas Helmholtz form for diethyl ether.
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Piazza, L., and Span, R., 2014.
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
1 5 0 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
3.36281 1.0 !ai, ti for [ai*log(tau**ti)] terms
6.371861 0.0 !aj, ti for [ai*tau**ti] terms
1.522773 1.0
-8.943822 -1.0
0.54621 -2.0
-0.016604 -3.0
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
#TRN !---ECS Transport---
ECS !Extended Corresponding States model (Propane reference) for diethyl ether.
: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
? Meng, X., Zheng, P., Wu, J., Liu, Z., "Density and Viscosity Measurements of Diethyl Ether from 243 to 373 K and up to 20 MPa," Fluid Phase Equilib., 271:1-5, 2008. Estimated uncertainty: liquid phase 3% at pressures to 20 MPa, gas phase 10%.
?
?THERMAL CONDUCTIVITY
? Li, X., Wu, J., Dang, Q., "Thermal Conductivity of Liquid Diethyl Ether, Diisopropyl Ether, and Di-n-butyl Ether from (233 to 373) K at Pressures up to 30 MPa," J. Chem. Eng. Data, 55:1241-1246, 2010, estimated uncertainty 10% gas phase, 3% liquid phase at pressures to 30 MPa and T<375 K.
?
?The Lennard-Jones parameters were estimated with the method of Chung.
?
!```````````````````````````````````````````````````````````````````````````````
230.0 !Lower temperature limit [K]
500.0 !Upper temperature limit [K]
40000.0 !Upper pressure limit [kPa]
11.48 !Maximum density [mol/L]
FEQ PROPANE.FLD
VS1 !Model for reference fluid viscosity
TC1 !Model for reference fluid thermal conductivity
BIG !Large molecule identifier
0.90 0. 0. 0. !Large molecule parameters
1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
0.530 !Lennard-Jones coefficient sigma [nm]
370.6 !Lennard-Jones coefficient epsilon/kappa [K]
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
3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
1.15039 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
-0.1535 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
0.0330048 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
1.16276 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
-0.0357361 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 diethyl ether 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)
0.196e-9 !Xi0 (amplitude) [m]
0.066 !Gam0 (amplitude) [-]
0.645e-9 !Qd_inverse (modified effective cutoff parameter) [m]; estimated-not fitted to data
700.05 !Tref (reference temperature)=1.5*Tc [K]
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
#STN !---Surface tension---
ST1 !Surface tension model for diethyl ether 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. !
2 !Number of terms in surface tension model
466.7 !Critical temperature used in fit (dummy)
0.3995 1.466 !Sigma0 and n
-0.3455 1.523
#PS !---Vapor pressure---
PS5 !Vapor pressure equation for diethyl ether 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. !
466.70 3644.0 !Reducing parameters
4 0 0 0 0 0 !Number of terms in equation
-7.3059 1.0
1.1734 1.5
0.7142 2.2
-4.3219 3.0
#DL !---Saturated liquid density---
DL1 !Saturated liquid density equation for diethyl ether 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. !
466.70 3.5617 !Reducing parameters
4 0 0 0 0 0 !Number of terms in equation
0.3275 0.12
3.1842 0.55
-2.1407 1.0
1.4376 1.4
#DV !---Saturated vapor density---
DV3 !Saturated vapor density equation for diethyl ether 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. !
466.70 3.5617 !Reducing parameters
5 0 0 0 0 0 !Number of terms in equation
-0.35858 0.06
-16.843 0.87
32.476 1.3
-33.444 1.7
-48.036 5.3
@END
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