304 lines
14 KiB
Plaintext
304 lines
14 KiB
Plaintext
R1123 !Short name
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359-11-5 !CAS number
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Trifluoroethylene !Full name
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CF2=CHF !Chemical formula {C2HF3}
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HFO-1123 !Synonym
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82.02455 !Molar mass [g/mol]
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200. !Triple point temperature [K] (unknown)
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214.06 !Normal boiling point [K] (calculated from FEQ)
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331.73 !Critical temperature [K] (Higashi, 2015)
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4542.6 !Critical pressure [kPa] (calculated from FEQ)
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6.0 !Critical density [mol/L]
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0.261 !Acentric factor
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1.4 !Dipole moment [Debye]; R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967
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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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1.0 !GWP :GWP: M. Fukushima, Next Generation Low-GWP Refrigerants "AMOLEATM", JRAIA International Symposium, 2016.
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1S/C2HF3/c3-1-2(4)5/h1H !Standard InChI String :InChi:
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MIZLGWKEZAPEFJ-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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40377b40 (R1234yf) !Alternative fluid for mixing rules :AltID:
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64555530 !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 R. Akasaka, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 01-01-16 RA, Original version.
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! 11-01-16 MLH, Add totally predictive transport- no data available.
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! 02-16-17 KG, Add ancillary equations.
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! 11-20-17 MLH, Add surface tension prediction.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for R-1123 of Akasaka et al. (2016).
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:TRUECRITICALPOINT: 331.73 5.992992 !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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:WEB: https://docs.lib.purdue.edu/iracc/1698/
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Akasaka, R., Fukushima, M., and Lemmon, E.W.,
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? "A Helmholtz Energy Equation of State for Trifluoroethylene (R-1123),"
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? International Refrigeration and Air Conditioning Conference at Purdue,
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? July 11-14, 2016.
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?
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?Typical uncertainties over the range of validity are 0.1% for vapor pressures,
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? 0.2% for liquid densities, and 1% for vapor densities, except in the critical
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? region where larger deviations up to about 2% are observed in densities. At
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? temperatures below 300 K, deviations in vapor pressures are larger due to the
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? insufficient amount of experimental data. The uncertainties in the vapor-phase
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? sound speeds is 0.02%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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200. !Lower temperature limit [K]
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480. !Upper temperature limit [K]
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20000. !Upper pressure limit [kPa]
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17.4 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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82.02455 !Molar mass [g/mol]
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200. !Triple point temperature [K] (unknown)
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42. !Pressure at triple point [kPa]
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17.4 !Density at triple point [mol/L]
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214.06 !Normal boiling point temperature [K]
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0.261 !Acentric factor
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331.73 4542.6 6.0 !Tc [K], pc [kPa], rhoc [mol/L]
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331.73 6.0 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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10 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.044649519 1.0 4. 0. !a(i),t(i),d(i),l(i)
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2.0208994 0.28 1. 0.
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-2.6417598 0.782 1. 0.
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-0.41197275 1.03 2. 0.
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0.11153993 0.68 3. 0.
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-1.3190495 1.64 1. 2.
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-0.46464623 1.46 3. 2.
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-0.040932167 2.23 2. 1.
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0.26296637 1.2 2. 2.
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-0.018089075 1.73 7. 1.
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1.6070681 1.05 1. 2. 2. -0.721 -2.023 1.09 0.557 0. 0. 0.
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-0.73580167 1.13 1. 2. 2. -1.261 -1.705 1.2 0.353 0. 0. 0.
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-0.26768005 1.78 3. 2. 2. -1.656 -1.81 0.9 0.291 0. 0. 0.
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-0.28256773 0.96 2. 2. 2. -0.804 -3.1 1.123 0.736 0. 0. 0.
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-0.14045846 1.85 2. 2. 2. -1.744 -0.685 0.837 1.131 0. 0. 0.
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eta beta gamma epsilon
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EXP[eta*(delta-epsilon)^2+beta*(tau-gamma)^2]
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for R-1123 of Akasaka et al. (2016).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Akasaka, R., Fukushima, M., and Lemmon, E.W., 2016.
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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 8.3144598 !Reducing parameters for T, Cp0
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1 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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3.0 0.0
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5.39533 453.0
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7.79874 1712.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for R-1123 of Akasaka et al. (2016).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Akasaka, R., Fukushima, M., and Lemmon, E.W., 2016.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 2 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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2.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-9.0847287385572528 0.0 !aj, ti for [ai*tau**ti] terms
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7.3414915240317198 1.0 !aj, ti for [ai*tau**ti] terms
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5.39533 453.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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7.79874 1712.0
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (R134a reference) totally predictive; no data available for R-1123.
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
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?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension
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? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018.
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? doi: 10.6028/NIST.IR.8209
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?
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?Gas phase data unavailable. Estimated uncertainty for gas phase viscosity and thermal conductivity is 20%.
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? No liquid phase data available. Uncertainty for liquid phase at saturation is 20% for thermal conductivity.
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? No liquid phase data available. Uncertainty for liquid phase at saturation is 20% for viscosity.
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?
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?The Lennard-Jones parameters were estimated with the method of Chung.
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?
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!```````````````````````````````````````````````````````````````````````````````
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200.0 !Lower temperature limit [K]
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400.0 !Upper temperature limit [K]
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40000.0 !Upper pressure limit [kPa]
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17.4 !Maximum density [mol/L]
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FEQ R134A.FLD
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VS1 !Model for reference fluid viscosity
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TC1 !Model for reference fluid thermal conductivity
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NUL !Large molecule identifier
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.4452 !Lennard-Jones coefficient sigma [nm]
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263.4 !Lennard-Jones coefficient epsilon/kappa [K]
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1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.00125 0. 0. 0. !Coefficient, power of T, spare1, spare2
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1 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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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-1123 of Perkins et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
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? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
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? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
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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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1.02 !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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0.153e-9 !Xi0 (amplitude) [m]
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0.075 !Gam0 (amplitude) [-]
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0.538e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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497.60 !Tref (reference temperature)=1.5*Tc [K]
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension predictive model for R1123 of Huber (2018).
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension
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? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018.
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? doi: 10.6028/NIST.IR.8209
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?
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?No data available. Preditive method; uncertainty 10%.
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? Chae, H.B., Schmidt, J.W., Moldover, M.R., "Alternative Refrigerants R123a, R134, R141 b, R142b, and R152a: Critical Temperature, Refractive Index, Surface Tension, and Estimates of Liquid, Vapor, and Critical Densities,"
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? J. Phys. Chem., 94:8840-8845, 1990.
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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 !Number of terms in surface tension model
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331.73 !Critical temperature (dummy)
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0.0612 1.26 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for R-1123 of Gao (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., 2017.
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?
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?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
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? are the reducing parameters below, which are followed by rows containing Ni and ti.
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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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331.73 4542.6 !Reducing parameters
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4 0 0 0 0 0 !Number of terms in equation
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-7.1353 1.0
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1.2467 1.5
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-9.2057 3.8
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-27.907 8.0
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for R-1123 of Gao (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., 2017.
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?
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?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? the reducing parameters below, which are followed by rows containing Ni and ti.
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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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331.73 6.0 !Reducing parameters
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4 0 0 0 0 0 !Number of terms in equation
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2.0775 0.33
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1.3940 1.05
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-3.1817 1.55
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4.0701 2.1
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for R-1123 of Gao (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., 2017.
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?
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?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? the reducing parameters below, which are followed by rows containing Ni and ti.
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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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331.73 6.0 !Reducing parameters
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4 0 0 0 0 0 !Number of terms in equation
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-2.4464 0.369
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-7.5710 1.18
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-39.940 3.9
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-246.07 9.0
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@END
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