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一些优化：CAN和PLC地址的优化

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Hydrogen chloride !Short name
7647-01-0 !CAS number
Hydrogen chloride !Full name
HCl !Chemical formula
Hydrogen chloride !Synonym
36.46094 !Molar mass [g/mol]
159.07 !Triple point temperature [K]
188.173 !Normal boiling point [K]
324.68 !Critical temperature [K]
8313.5 !Critical pressure [kPa]
11.87 !Critical density [mol/L]
0.129 !Acentric factor
1.079 !Dipole moment [Debye]; DIPPR DIADEM 2012
NBP !Default reference state
10.0 !Version number
1789 !UN Number :UN:
other !Family :Family:
???? !Heating value (upper) [kJ/mol] :Heat:
1S/ClH/h1H !Standard InChI String :InChi:
VEXZGXHMUGYJMC-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
???? !Alternative fluid for mixing rules :AltID:
74b17450 !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
! 05-02-11 MT, Original version.
! 05-03-11 MT, Add ancillary equations.
! 04-06-13 EWL, Add dipole moment.
! 12-24-13 EWL, Add truncated coefficients from publication.
! 03-27-14 MLH, Add preliminary transport.
! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
! 02-19-15 MT, Add final equation of state.
! 02-16-17 KG, Add ancillary equations.
! 04-03-17 MLH, Revise transport.
! 07-31-17 MT, Add second final equation of state.
! 08-04-17 MLH, revise transport
! 12-30-17 MLH, tweak in enhancement and LJ parameters
________________________________________________________________________________
#EOS !---Equation of state---
FEQ !Helmholtz equation of state for hydrogen chloride of Thol et al. (2018).
:TRUECRITICALPOINT: 324.68 11.87 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
:DOI: 10.1021/acs.jced.7b0103
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J.,
? to be submitted to J. Chem. Eng. Data, 2018.
?
?Based on the available experimental data, the equation is valid from the triple
? point temperature of 159.07 K to 480 K and up to a maximum pressure of 40 MPa.
? This range can be extended to 670 K and 200 MPa with higher uncertainties based
? on the data of Franck et al. The uncertainties in density are 1.5% in the
? gaseous region, 0.5% in the liquid region, and 1% in the supercritical region.
? At higher temperatures, pressures, and densities, where only the data of Franck
? et al. are available, the uncertainty increases to at least 6%. The uncertainty
? of the second virial coefficient calculated with the present equation of state
? is estimated to be 25 cm^3/mol for T < 300 K and 15 cm^3/mol for higher
? temperatures. The uncertainties in vapor pressure are 0.5% for T < 250 K and 1%
? for higher temperatures. Based on only limited information, the uncertainty in
? the saturated liquid density is 0.5% for T < 240 K and 1% for higher
? temperatures. For the saturated vapor density, no reliable measurements are
? available. The uncertainty is 0.3% for the speed of sound except for the
? low-density region where the uncertainty increases up to 1%.
?
!```````````````````````````````````````````````````````````````````````````````
159.07 !Lower temperature limit [K]
670.0 !Upper temperature limit [K]
200000.0 !Upper pressure limit [kPa]
34.5 !Maximum density [mol/L]
CPP !Pointer to Cp0 model
36.46094 !Molar mass [g/mol]
159.07 !Triple point temperature [K]
13.8284 !Pressure at triple point [kPa]
34.401 !Density at triple point [mol/L]
188.173 !Normal boiling point temperature [K]
0.129 !Acentric factor
324.68 8313.5 11.87 !Tc [K], pc [kPa], rhoc [mol/L]
324.68 11.87 !Reducing parameters [K, mol/L]
8.3144598 !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
0.01952802 1.0 4. 0. !a(i),t(i),d(i),l(i)
1.926809 0.553 1. 0.
-2.835744 1.037 1. 0.
-0.2276121 0.817 2. 0.
0.08843713 0.378 3. 0.
-2.433471 1.523 1. 2.
-0.2636625 2.656 3. 2.
0.6307008 1.338 2. 1.
-0.6382638 2.828 2. 2.
-0.006851438 0.75 7. 1.
7.363661 0.644 1. 2. 2. -1.141 -0.95 1.56 0.855 0. 0. 0.
-1.262993 2.892 1. 2. 2. -1.162 -0.92 1.14 0.91 0. 0. 0.
-0.006539739 0.76 3. 2. 2. -34.6 -1550. 1.06 0.942 0. 0. 0.
-0.8752692 1.323 2. 2. 2. -1.175 -1.2 0.94 0.702 0. 0. 0.
-3.224835 0.693 2. 2. 2. -0.99 -0.89 1.25 0.487 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 hydrogen chloride of Thol et al. (2018).
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., 2018.
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
1.0 8.3144598 !Reducing parameters for T, Cp0
1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
3.5 0.0
0.0033327 300.0
0.935243 4000.0
0.209996 6300.0
#AUX !---Auxiliary function for PX0
PX0 !Helmholtz energy ideal-gas function for hydrogen chloride of Thol et al. (2018).
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., 2018.
?
!```````````````````````````````````````````````````````````````````````````````
1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
2.5 1.0 !ai, ti for [ai*log(tau**ti)] terms
-4.0690445266807433 0.0 !aj, ti for [ai*tau**ti] terms
4.0257768311312594 1.0 !aj, ti for [ai*tau**ti] terms
0.0033327 300.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
0.935243 4000.0
0.209996 6300.0
--------------------------------------------------------------------------------
@EOS !---Equation of state---
FE1 !Helmholtz equation of state for hydrogen chloride of Thol et al. (2014).
?
?```````````````````````````````````````````````````````````````````````````````
?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., 35:783-811, 2014.
?
!```````````````````````````````````````````````````````````````````````````````
159.01 !Lower temperature limit [K]
330.0 !Upper temperature limit [K]
20000.0 !Upper pressure limit [kPa]
34.4 !Maximum density [mol/L]
CP1 !Pointer to Cp0 model
36.460939 !Molar mass [g/mol]
131.1 !Triple point temperature [K]
14.033 !Pressure at triple point [kPa]
34.3 !Density at triple point [mol/L]
188.199 !Normal boiling point temperature [K]
0.128 !Acentric factor
324.55 8274.9 11.271514 !Tc [K], pc [kPa], rhoc [mol/L]
324.55 11.271514 !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
-0.40937325 -0.75 1. 0. !a(i),t(i),d(i),l(i)
0.943994574 -0.25 1. 0.
-1.78830477 1.25 1. 0.
0.128619044 0.75 2. 0.
0.00439018427 -1.0 3. 0.
0.0130480908 -0.375 3. 0.
0.00169387782 1.25 5. 0.
0.75155906 2.375 1. 1.
-0.800007427 3.0 1. 1.
0.430935939 2.625 2. 1.
0.00454319457 1.875 5. 1.
-0.152172259 4.5 1. 2.
-0.0436174059 5.75 3. 2.
-0.00970625964 5.375 4. 2.
0.0101144098 2.75 5. 2.
0.00376991644 14.5 2. 3.
@AUX !---Auxiliary function for Cp0
CP1 !Ideal gas heat capacity function for hydrogen chloride of Thol et al. (2014).
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Piazza, L., and Span, R.
?
!```````````````````````````````````````````````````````````````````````````````
0. !
10000. !
0. !
0. !
1.0 8.314472 !Reducing parameters for T, Cp0
3 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
3.5 0.0
0.00002557348 1.0
-4.567927e-8 2.0
1.054392 4028.112
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
#TRN !---ECS Transport---
ECS !Extended Corresponding States model (Propane reference) for hydrogen chloride.
:DOI: 10.6028/NIST.IR.8209
?
?```````````````````````````````````````````````````````````````````````````````
?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
?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
? Comparisons with the data of Krynicki, K., Hennel, J.W., "Viscosity of Liquid Ammonia and Hydrogen Chloride," Acta Phys. Pol., 24(8):269, 1963,
? suggest an estimated uncertainty of 10% for the saturated liquid phase above 240 K.
?
?THERMAL CONDUCTIVITY
? Predictive model. Limited experimental data. Values based on method of extended corresponding states; estimated uncertainty approximately 10-20%.
?
?The Lennard-Jones parameters were estimated with the method of Chung.
?
!```````````````````````````````````````````````````````````````````````````````
159.07 !Lower temperature limit [K]
700.0 !Upper temperature limit [K]
50000.0 !Upper pressure limit [kPa]
34.39 !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)
0.355 !Lennard-Jones coefficient sigma [nm]
257.8 !Lennard-Jones coefficient epsilon/kappa [K]
1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
0.0006 0. 0. 0. !Coefficient, power of T, spare1, spare2 1.32
4 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
0.615877 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
0.55609 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
-0.337867 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
0.0681029 0. 3. 0. !Coefficient, power of Tr, power of Dr, spare
2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
1.57373 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
-0.17681 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 hydrogen chloride 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)
0.154e-9 !Xi0 (amplitude) [m]
0.054 !Gam0 (amplitude) [-]
0.424e-9 !Qd_inverse (modified effective cutoff parameter) [m]; estimated-not fitted to data
487.0 !Tref (reference temperature)=1.5*Tc [K]
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
#STN !---Surface tension---
ST1 !Surface tension model for hydrogen chloride 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
324.55 !Critical temperature used in fit (dummy)
0.05994 1.0953 !Sigma0 and n
#PS !---Vapor pressure---
PS5 !Vapor pressure equation for hydrogen chloride of Thol et al. (2018)
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., 2018.
?
?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. !
324.68 8313.5 !Reducing parameters
5 0 0 0 0 0 !Number of terms in equation
-6.730 1.0 !Coefficients and exponents
1.464 1.5
-1.994 3.12
1.283 3.95
-2.062 4.8
#DL !---Saturated liquid density---
DL1 !Saturated liquid density equation for hydrogen chloride of Thol et al. (2018)
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., 2018.
?
?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. !
324.68 11.87 !Reducing parameters
5 0 0 0 0 0 !Number of terms in equation
2.547 0.418 !Coefficients and exponents
-0.631 1.12
1.750 1.86
-1.922 2.66
1.030 3.57
#DV !---Saturated vapor density---
DV3 !Saturated vapor density equation for hydrogen chloride of Thol et al. (2018)
?
?```````````````````````````````````````````````````````````````````````````````
?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., 2018.
?
?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. !
324.68 11.87 !Reducing parameters
6 0 0 0 0 0 !Number of terms in equation
-2.5676 0.417 !Coefficients and exponents
-4.1055 0.923
-12.068 2.57
-29.03 5.54
-54.93 10.5
-222.7 23.3
@END
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