493 lines
24 KiB
Plaintext
493 lines
24 KiB
Plaintext
R113 !Short name
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76-13-1 !CAS number
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1,1,2-Trichloro-1,2,2-trifluoroethane !Full name
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CCl2FCClF2 !Chemical formula {C2Cl3F3}
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CFC-113 !Synonym
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187.375 !Molar mass [g/mol]
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236.93 !Triple point temperature [K]
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320.735 !Normal boiling point [K]
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487.21 !Critical temperature [K]
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3392.2 !Critical pressure [kPa]
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2.988659 !Critical density [mol/L] (560 kg/m**3)
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0.25253 !Acentric factor
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0.803 !Dipole moment [Debye]; Goodwin & Morrison, J. Phys. Chem. 96:5521-6 (1992).
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IIR !Default reference state
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10.0 !Version number
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???? !UN Number :UN:
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halocb !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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6130. !GWP (IPCC 2007) :GWP:
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0.85 !ODP (WMO 2010) :ODP:
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2600. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL:
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A1 !Safety Group (ASHRAE Standard 34, 2010) :Safety:
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1S/C2Cl3F3/c3-1(4,6)2(5,7)8 !Standard InChI String :InChi:
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AJDIZQLSFPQPEY-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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d2a09ee0 !Hash number from InChI Key :Hash:
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!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
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! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
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! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
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! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
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! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
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! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
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! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
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! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
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! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
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! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
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! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
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! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
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! end of the fluid file is marked with @END. Anything below that is ignored.
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! compiled by M. McLinden, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 03-06-96 MM, Original version.
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! 11-13-06 MLH, Add LJ parameters.
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! 08-17-10 IDC, Add ancillary equations.
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! 10-18-10 MLH, Revise viscosity and thermal conductivity estimations.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for R-113 of Marx et al. (1992).
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:TRUECRITICALPOINT: 487.21 2.988659 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
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:DOI:
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Marx, V., Pruss, A., and Wagner, W.,
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? "Neue Zustandsgleichungen fuer R 12, R 22, R 11 und R 113. Beschreibung
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? des thermodynamishchen Zustandsverhaltens bei Temperaturen bis 525 K und
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? Druecken bis 200 MPa,"
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? Duesseldorf, VDI Verlag, Series 19 (Waermetechnik/Kaeltetechnik), No. 57,
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? 1992.
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?
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?The uncertainty in density is 0.2%, that for vapor pressure is 0.3%, and that
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? for the isobaric heat capacity is 2%. The uncertainties are higher in and
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? above the critical region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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236.93 !Lower temperature limit [K]
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525.0 !Upper temperature limit [K]
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200000.0 !Upper pressure limit [kPa]
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9.10 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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187.375 !Molar mass [g/mol]
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236.93 !Triple point temperature [K]
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1.871 !Pressure at triple point [kPa]
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9.099 !Density at triple point [mol/L] (max density)
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320.735 !Normal boiling point temperature [K]
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0.25253 !Acentric factor
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487.21 3392.2 2.988659 !Tc [K], pc [kPa], rhoc [mol/L]
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487.21 2.988659 !Reducing parameters [K, mol/L]
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8.314471 !Gas constant [J/mol-K]
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18 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.8432092286 0.5 1. 0. !a(i),t(i),d(i),l(i)
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-2.019185967 1.5 1. 0.
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0.2920612996 1.5 2. 0.
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0.05323107661 -0.5 3. 0.
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0.003214971931 2.0 4. 0.
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0.4667858574e-4 0.0 8. 0.
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-0.1227522799e-5 3.0 8. 0.
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0.8167288718 -0.5 3. 1.
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-1.340790803 0.0 3. 1.
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0.4065752705 2.0 3. 1.
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-0.1534754634 1.5 5. 1.
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-0.02414435149 6.0 1. 2.
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-0.02113056197 2.0 2. 2.
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-0.03565436205 10.0 2. 2.
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0.001364654968 6.0 9. 2.
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-0.01251838755 18.0 3. 3.
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-0.001385761351 15.0 7. 3.
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0.0007206335486 33.0 8. 4.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for R-113 of Marx et al. (1992).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Marx, V., Pruss, A., and Wagner, W., 1992.
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?
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?Note: Marx et al. give a Helmholtz form for the ideal gas term; it
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? has been converted to a Cp0 form, by the transform:
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?
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?Cp0/R = (1 + a_3) + SUM{a_i*U_i*exp(U_i)/[1 - exp(U_i)]**2}
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? where U_i = omega_i*T_n/T, T_n = Tcrit,
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? and the a_i and omega_i are the original coefficients given by Mar.x
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.31451 !Reducing parameters for T, Cp0
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1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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3.9999966 0.0 ! = 1 + a_3; power in T
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12.4464495 511.4328 ! = omega_4 * T_n (T_n = 385.12 K)
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2.72181845 1606.76324 ! = omega_5 * T_n
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0.692712415 4202.92102 ! = omega_6 * T_n
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3.32248298 1606.18738 ! = omega_7 * T_n
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for R-113 of Marx et al. (1992).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Marx, V., Pruss, A., and Wagner, W., 1992.
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?
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?Note: Marx et al. give a Helmholtz form for the ideal gas term; it
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? has been converted to a Cp0 form, by the transform:
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?
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?Cp0/R = (1 + a_3) + SUM{a_i*U_i*exp(U_i)/[1 - exp(U_i)]**2}
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? where U_i = omega_i*T_n/T, T_n = Tcrit,
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? and the a_i and omega_i are the original coefficients given by Mar.x
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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2.9999966 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-21.8558019331864664 0.0 !aj, ti for [ai*tau**ti] terms
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11.9424565883167499 1.0 !aj, ti for [ai*tau**ti] terms
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12.4464495 511.4328 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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2.72181845 1606.76324
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0.692712415 4202.92102
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3.32248298 1606.18738
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FES !Helmholtz equation of state for R-113 of Span and Wagner (2003).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Span, R. and Wagner, W.
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? "Equations of State for Technical Applications. III. Results for Polar Fluids,"
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? Int. J. Thermophys., 24(1):111-162, 2003. doi: 10.1023/A:1022362231796
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?
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?The uncertainties of the equation of state are approximately 0.2% (to
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? 0.5% at high pressures) in density, 1% (in the vapor phase) to 2% in
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? heat capacity, 1% (in the vapor phase) to 2% in the speed of sound, and
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? 0.2% in vapor pressure, except in the critical region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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236.93 !Lower temperature limit [K]
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600.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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9.09 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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187.376 !Molar mass [g/mol]
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236.93 !Triple point temperature [K]
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1.869 !Pressure at triple point [kPa]
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9.0893 !Density at triple point [mol/L]
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320.75 !Normal boiling point temperature [K]
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0.252 !Acentric factor
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487.21 3392.2 2.9886432 !Tc [K], pc [kPa], rhoc [mol/L]
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487.21 2.9886432 !Reducing parameters [K, mol/L]
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8.31451 !Gas constant [J/mol-K]
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12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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1.0519071 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.8724742 1.25 1. 0.
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0.41983153 1.5 1. 0.
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0.087107788 0.25 3. 0.
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0.00024105194 0.875 7. 0.
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0.70738262 2.375 1. 1.
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0.93513411 2.0 2. 1.
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-0.0096713512 2.125 5. 1.
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-0.52595315 3.5 1. 2.
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0.022691984 6.5 1. 2.
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-0.14556325 4.75 4. 2.
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-0.02741995 12.5 2. 3.
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS1 !Estimation based on pure fluid viscosity model for R-134a of Huber et al. (2003), scaled to R113.
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:DOI: 10.1021/ie0300880
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?
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?```````````````````````````````````````````````````````````````````````````````
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?The model is based on a scaling of the correlation presented below.
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?Huber, M.L., Laesecke, A., and Perkins, R.A.,
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? "Model for the Viscosity and Thermal Conductivity of Refrigerants, Including
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? a New Correlation for the Viscosity of R134a,"
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? Ind. Eng. Chem. Res., 42(13):3163-3178, 2003. doi: 10.1021/ie0300880
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?
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?The estimated uncertainty in the liquid phase along the saturation boundary is 5 %,
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? and of the vapor phase is 10 %
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?
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!```````````````````````````````````````````````````````````````````````````````
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236.93 !Lower temperature limit [K]
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525.0 !Upper temperature limit [K]
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200000.0 !Upper pressure limit [kPa]
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9.10 !Maximum density [mol/L]
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1 !Number of terms associated with dilute-gas function
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CI1 !Pointer to reduced effective collision cross-section model
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0.6019 !Lennard-Jones coefficient sigma [nm]
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376.035 !Lennard-Jones coefficient epsilon/kappa [K]
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1.0 1.38 !Reducing parameters for T, eta scaled
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0.25090 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term]
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9 !Number of terms for initial density dependence
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376.035 0.13132 !Reducing parameters for T (=eps/k), etaB2 (= 0.6022137*sigma**3)
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-19.572881 0.0 !Coefficient, power in T* = T/(eps/k)
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219.73999 -0.25
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-1015.3226 -0.5
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2471.0125 -0.75
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-3375.1717 -1.0
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2491.6597 -1.25
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-787.26086 -1.5
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14.085455 -2.5
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-0.34664158 -5.50
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-3 7 1 2 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
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487.21 2.988659 1310.0 !Reducing parameters for T, rho, eta sacling for R113 (Laesecke correlation in terms of mPa-s, convert to uPa-s)
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3.163695635587490 0.0 !Alternative form for del10; numerator term
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-0.08901733752064137 1.0 !Alternative form for del10; denominator terms
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0.1000352946668359 2.0 !Alternative form for del10; denominator terms
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-0.02069007192080741 0.0 1. 0. 0 ! beta1; powers of tau, del, del0; power of del in exponential [0 indicated no exponential term present]
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0.0003560295489828222 -6.0 2. 0. 0 ! beta2
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0.002111018162451597 -2.0 2. 0. 0 ! beta3
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0.01396014148308975 -0.5 2. 0. 0 ! beta4
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-0.004564350196734897 2.0 2. 0. 0 ! beta5
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-0.00351593274583689 0.0 3. 0. 0 ! beta6
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-0.2147633195397038 0.0 0. -1. 0 ! beta7
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0.2147633195397038 0.0 0. 0. 0 ! beta7 in non-simple poly term
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1.0 0.0 0. 1. 0 ! del0 term in denominator
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-1.0 0.0 1. 0. 0 ! -del term in denominator
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NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
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#AUX !---Auxiliary function for the collision integral
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CI1 !Reduced effective collision cross-section model (empirical form in log(T*)) for R-113.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Reduced effective collision cross-section of Wilhelm & Vogel as reported by:
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? Laesecke, A. (laesecke@boulder.nist.gov); unpublished correlation R134aFitSelDV
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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3 !Number of terms
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0.355404 0 !Coefficient, power of Tstar
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-0.464337 1
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0.0257353 2
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================================================================================
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#TCX !---Thermal conductivity---
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TC1 !Estimation based on pure fluid thermal conductivity model for R-125 of Perkins and Huber (2006), scaled to R113.
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:DOI: 10.1021/je050372t
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?
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?```````````````````````````````````````````````````````````````````````````````
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?The model is based on a scaling of the correlation presented below.
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? Perkins, R.A. and Huber, M.L.,
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? "Measurement and Correlation of the Thermal Conductivity of Pentafluoroethane
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? (R125) from 190 K to 512 K at Pressures to 70 MPa,"
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? J. Chem. Eng. Data, 51:898-904, 2006.
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?
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?The estimated uncertainty is 5-10%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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236.93 !Lower temperature limit [K]
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525.0 !Upper temperature limit [K]
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200000.0 !Upper pressure limit [kPa]
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9.10 !Maximum density [mol/L]
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3 0 !# terms for dilute gas function: numerator, denominator
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487.21 1.1 !Reducing parameters for T, tcx
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-0.0046082 0. !Coefficient, power in T
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0.0168688 1.
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0.00488345 2.
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10 0 !# terms for background gas function: numerator, denominator
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487.21 2.988659 0.66 !Reducing parameters for T, rho, tcx
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-0.0072941 0. 1. 0. !Coefficient, powers of T, rho, spare for future use
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0.0110497 1. 1. 0.
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0.0416339 0. 2. 0.
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-0.0289236 1. 2. 0.
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-0.0311487 0. 3. 0.
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0.0278399 1. 3. 0.
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0.0112682 0. 4. 0.
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-0.01211 1. 4. 0.
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-0.00138322 0. 5. 0.
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0.00211196 1. 5. 0.
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TK3 !Pointer to critical enhancement auxiliary function
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#AUX !---Auxiliary function for the thermal conductivity critical enhancement
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TK3 !Simplified thermal conductivity critical enhancement for R-113 of Olchowy and Sengers (1989).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Olchowy, G.A. and Sengers, J.V.,
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? "A Simplified Representation for the Thermal Conductivity of Fluids in the Critical Region,"
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? Int. J. Thermophys., 10:417-426, 1989. doi: 10.1007/BF01133538
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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9 0 0 0 !# terms: CO2-terms, spare, spare, spare
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1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
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0.63 !Nu (universal exponent)
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1.239 !Gamma (universal exponent)
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1.03 !R0 (universal amplitude)
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0.063 !Z (universal exponent--not used for t.c., only viscosity)
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1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
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0.194e-9 !Xi0 (amplitude) [m]
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0.0496 !Gam0 (amplitude) [-]
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0.5e-9 !Qd_inverse (modified effective cutoff parameter) [m]; generic number, not fitted to data
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730.8 !Tref (reference temperature)=1.5*Tc [K]
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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@TRN !---ECS Transport---
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ECS !Extended Corresponding States model (R134a reference); fitted to data for R-113.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Klein, S.A., McLinden, M.O., and Laesecke, A., "An Improved Extended Corresponding States Method for Estimation of Viscosity of Pure Refrigerants and Mixtures," Int. J. Refrigeration, 20(3):208-217, 1997. doi: 10.1016/S0140-7007(96)00073-4.
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?McLinden, M.O., Klein, S.A., and Perkins, R.A., "An Extended Corresponding States Model for the Thermal Conductivity of Refrigerants and Refrigerant Mixtures," Int. J. Refrigeration, 23(1):43-63, 2000. doi: 10.1016/S0140-7007(99)00024-9
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?
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?THERMAL CONDUCTIVITY
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?Thermal conductivity correlation by the ECS method based on data of:
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? Yata, J., Minamiyama, T., and Tanaka, S., Measurement of Thermal Conductivity of Liquid Fluorocarbons, Int. J. of Thermophysics, 5(2), 1984.
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?
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?VISCOSITY
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? The ECS parameters for viscosity were based on the data of:
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? Kumagai, A. and Tanaka, S. (1991). Viscosity of saturated liquid fluorocarbon refrigerants from 273 to 353 K. International Journal of Thermophysics, 12(1):105-117.
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? Average absolute deviations of the fit from the experimental data are Kumagai: 0.24%
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?
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?The Lennard-Jones parameters were estimated by ECS with R134 and 298K reference.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
236.93 !Lower temperature limit [K]
|
||
525.0 !Upper temperature limit [K]
|
||
200000.0 !Upper pressure limit [kPa]
|
||
9.10 !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)
|
||
0.6019 !Lennard-Jones coefficient sigma [nm] for ECS method
|
||
376.035 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|
||
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
|
||
1.121855 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
-0.0289888 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
|
||
1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
TK3 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
|
||
|
||
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||
|
||
#STN !---Surface tension---
|
||
ST1 !Surface tension model for R-113 of Mulero et al. (2012).
|
||
:DOI: 10.1063/1.4768782
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Mulero, A., Cachadi<64>a, 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
|
||
487.21 !Critical temperature used in fit (dummy)
|
||
0.0556 1.24 !Sigma0 and n
|
||
|
||
|
||
#PS !---Vapor pressure---
|
||
PS5 !Vapor pressure equation for R-113 of Cullimore (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Cullimore, I.D., 2010.
|
||
?
|
||
?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. !
|
||
487.21 3392.2 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-7.3838 1.0
|
||
3.2594 1.5
|
||
-2.7761 1.8
|
||
-3.7758 4.3
|
||
-0.19921 6.2
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for R-113 of Cullimore (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Cullimore, I.D., 2010.
|
||
?
|
||
?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. !
|
||
487.21 2.988659 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
1.5785 0.3
|
||
1.2404 0.7
|
||
-0.66933 2.0
|
||
4.9775 4.0
|
||
-5.5253 5.0
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for R-113 of Cullimore (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Cullimore, I.D., 2010.
|
||
?
|
||
?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. !
|
||
487.21 2.988659 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
-2.6225 0.379
|
||
-6.0753 1.13
|
||
-15.768 2.9
|
||
-42.361 6.0
|
||
-7.9071 7.0
|
||
-319.66 15.0
|
||
|
||
|
||
@END
|
||
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|
||
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