R1123 !Short name 359-11-5 !CAS number Trifluoroethylene !Full name CF2=CHF !Chemical formula {C2HF3} HFO-1123 !Synonym 82.02455 !Molar mass [g/mol] 200. !Triple point temperature [K] (unknown) 214.06 !Normal boiling point [K] (calculated from FEQ) 331.73 !Critical temperature [K] (Higashi, 2015) 4542.6 !Critical pressure [kPa] (calculated from FEQ) 6.0 !Critical density [mol/L] 0.261 !Acentric factor 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 IIR !Default reference state 10.0 !Version number ???? !UN Number :UN: halocb !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1.0 !GWP :GWP: M. Fukushima, Next Generation Low-GWP Refrigerants "AMOLEATM", JRAIA International Symposium, 2016. 1S/C2HF3/c3-1-2(4)5/h1H !Standard InChI String :InChi: MIZLGWKEZAPEFJ-UHFFFAOYSA-N !Standard InChI Key :InChiKey: 40377b40 (R1234yf) !Alternative fluid for mixing rules :AltID: 64555530 !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 R. Akasaka, NIST Physical and Chemical Properties Division, Boulder, Colorado ! 01-01-16 RA, Original version. ! 11-01-16 MLH, Add totally predictive transport- no data available. ! 02-16-17 KG, Add ancillary equations. ! 11-20-17 MLH, Add surface tension prediction. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for R-1123 of Akasaka et al. (2016). :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) :DOI: :WEB: https://docs.lib.purdue.edu/iracc/1698/ ? ?``````````````````````````````````````````````````````````````````````````````` ?Akasaka, R., Fukushima, M., and Lemmon, E.W., ? "A Helmholtz Energy Equation of State for Trifluoroethylene (R-1123)," ? International Refrigeration and Air Conditioning Conference at Purdue, ? July 11-14, 2016. ? ?Typical uncertainties over the range of validity are 0.1% for vapor pressures, ? 0.2% for liquid densities, and 1% for vapor densities, except in the critical ? region where larger deviations up to about 2% are observed in densities. At ? temperatures below 300 K, deviations in vapor pressures are larger due to the ? insufficient amount of experimental data. The uncertainties in the vapor-phase ? sound speeds is 0.02%. ? !``````````````````````````````````````````````````````````````````````````````` 200. !Lower temperature limit [K] 480. !Upper temperature limit [K] 20000. !Upper pressure limit [kPa] 17.4 !Maximum density [mol/L] CPP !Pointer to Cp0 model 82.02455 !Molar mass [g/mol] 200. !Triple point temperature [K] (unknown) 42. !Pressure at triple point [kPa] 17.4 !Density at triple point [mol/L] 214.06 !Normal boiling point temperature [K] 0.261 !Acentric factor 331.73 4542.6 6.0 !Tc [K], pc [kPa], rhoc [mol/L] 331.73 6.0 !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 0.044649519 1.0 4. 0. !a(i),t(i),d(i),l(i) 2.0208994 0.28 1. 0. -2.6417598 0.782 1. 0. -0.41197275 1.03 2. 0. 0.11153993 0.68 3. 0. -1.3190495 1.64 1. 2. -0.46464623 1.46 3. 2. -0.040932167 2.23 2. 1. 0.26296637 1.2 2. 2. -0.018089075 1.73 7. 1. 1.6070681 1.05 1. 2. 2. -0.721 -2.023 1.09 0.557 0. 0. 0. -0.73580167 1.13 1. 2. 2. -1.261 -1.705 1.2 0.353 0. 0. 0. -0.26768005 1.78 3. 2. 2. -1.656 -1.81 0.9 0.291 0. 0. 0. -0.28256773 0.96 2. 2. 2. -0.804 -3.1 1.123 0.736 0. 0. 0. -0.14045846 1.85 2. 2. 2. -1.744 -0.685 0.837 1.131 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 R-1123 of Akasaka et al. (2016). ? ?``````````````````````````````````````````````````````````````````````````````` ?Akasaka, R., Fukushima, M., and Lemmon, E.W., 2016. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3144598 !Reducing parameters for T, Cp0 1 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 3.0 0.0 5.39533 453.0 7.79874 1712.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for R-1123 of Akasaka et al. (2016). ? ?``````````````````````````````````````````````````````````````````````````````` ?Akasaka, R., Fukushima, M., and Lemmon, E.W., 2016. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 2 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 2.0 1.0 !ai, ti for [ai*log(tau**ti)] terms -9.0847287385572528 0.0 !aj, ti for [ai*tau**ti] terms 7.3414915240317198 1.0 !aj, ti for [ai*tau**ti] terms 5.39533 453.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 7.79874 1712.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (R134a reference) totally predictive; no data available for R-1123. :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 ? ?Gas phase data unavailable. Estimated uncertainty for gas phase viscosity and thermal conductivity is 20%. ? No liquid phase data available. Uncertainty for liquid phase at saturation is 20% for thermal conductivity. ? No liquid phase data available. Uncertainty for liquid phase at saturation is 20% for viscosity. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 200.0 !Lower temperature limit [K] 400.0 !Upper temperature limit [K] 40000.0 !Upper pressure limit [kPa] 17.4 !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) 0.4452 !Lennard-Jones coefficient sigma [nm] 263.4 !Lennard-Jones coefficient epsilon/kappa [K] 1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.00125 0. 0. 0. !Coefficient, power of T, spare1, spare2 1 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.0 0. 0. 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 #AUX !---Auxiliary function for the thermal conductivity critical enhancement TK3 !Simplified thermal conductivity critical enhancement for R-1123 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) 0.153e-9 !Xi0 (amplitude) [m] 0.075 !Gam0 (amplitude) [-] 0.538e-9 !Qd_inverse (modified effective cutoff parameter) [m] 497.60 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension predictive model for R1123 of Huber (2018). :DOI: 10.6028/NIST.IR.8209 ? ?``````````````````````````````````````````````````````````````````````````````` ?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension ? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018. ? doi: 10.6028/NIST.IR.8209 ? ?No data available. Preditive method; uncertainty 10%. ? 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," ? J. Phys. Chem., 94:8840-8845, 1990. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 !Number of terms in surface tension model 331.73 !Critical temperature (dummy) 0.0612 1.26 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for R-1123 of Gao (2017). ? ?``````````````````````````````````````````````````````````````````````````````` ?Gao, K., 2017. ? ?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc ? are the reducing parameters below, which are followed by rows containing Ni and ti. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 331.73 4542.6 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -7.1353 1.0 1.2467 1.5 -9.2057 3.8 -27.907 8.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for R-1123 of Gao (2017). ? ?``````````````````````````````````````````````````````````````````````````````` ?Gao, K., 2017. ? ?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are ? the reducing parameters below, which are followed by rows containing Ni and ti. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 331.73 6.0 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation 2.0775 0.33 1.3940 1.05 -3.1817 1.55 4.0701 2.1 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for R-1123 of Gao (2017). ? ?``````````````````````````````````````````````````````````````````````````````` ?Gao, K., 2017. ? ?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are ? the reducing parameters below, which are followed by rows containing Ni and ti. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 331.73 6.0 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -2.4464 0.369 -7.5710 1.18 -39.940 3.9 -246.07 9.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890