R113 !Short name 76-13-1 !CAS number 1,1,2-Trichloro-1,2,2-trifluoroethane !Full name CCl2FCClF2 !Chemical formula {C2Cl3F3} CFC-113 !Synonym 187.375 !Molar mass [g/mol] 236.93 !Triple point temperature [K] 320.735 !Normal boiling point [K] 487.21 !Critical temperature [K] 3392.2 !Critical pressure [kPa] 2.988659 !Critical density [mol/L] (560 kg/m**3) 0.25253 !Acentric factor 0.803 !Dipole moment [Debye]; Goodwin & Morrison, J. Phys. Chem. 96:5521-6 (1992). IIR !Default reference state 10.0 !Version number ???? !UN Number :UN: halocb !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 6130. !GWP (IPCC 2007) :GWP: 0.85 !ODP (WMO 2010) :ODP: 2600. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL: A1 !Safety Group (ASHRAE Standard 34, 2010) :Safety: 1S/C2Cl3F3/c3-1(4,6)2(5,7)8 !Standard InChI String :InChi: AJDIZQLSFPQPEY-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: d2a09ee0 !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. McLinden, NIST Physical and Chemical Properties Division, Boulder, Colorado ! 03-06-96 MM, Original version. ! 11-13-06 MLH, Add LJ parameters. ! 08-17-10 IDC, Add ancillary equations. ! 10-18-10 MLH, Revise viscosity and thermal conductivity estimations. ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for R-113 of Marx et al. (1992). :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) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Marx, V., Pruss, A., and Wagner, W., ? "Neue Zustandsgleichungen fuer R 12, R 22, R 11 und R 113. Beschreibung ? des thermodynamishchen Zustandsverhaltens bei Temperaturen bis 525 K und ? Druecken bis 200 MPa," ? Duesseldorf, VDI Verlag, Series 19 (Waermetechnik/Kaeltetechnik), No. 57, ? 1992. ? ?The uncertainty in density is 0.2%, that for vapor pressure is 0.3%, and that ? for the isobaric heat capacity is 2%. The uncertainties are higher in and ? above the critical region. ? !``````````````````````````````````````````````````````````````````````````````` 236.93 !Lower temperature limit [K] 525.0 !Upper temperature limit [K] 200000.0 !Upper pressure limit [kPa] 9.10 !Maximum density [mol/L] CPP !Pointer to Cp0 model 187.375 !Molar mass [g/mol] 236.93 !Triple point temperature [K] 1.871 !Pressure at triple point [kPa] 9.099 !Density at triple point [mol/L] (max density) 320.735 !Normal boiling point temperature [K] 0.25253 !Acentric factor 487.21 3392.2 2.988659 !Tc [K], pc [kPa], rhoc [mol/L] 487.21 2.988659 !Reducing parameters [K, mol/L] 8.314471 !Gas constant [J/mol-K] 18 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.8432092286 0.5 1. 0. !a(i),t(i),d(i),l(i) -2.019185967 1.5 1. 0. 0.2920612996 1.5 2. 0. 0.05323107661 -0.5 3. 0. 0.003214971931 2.0 4. 0. 0.4667858574e-4 0.0 8. 0. -0.1227522799e-5 3.0 8. 0. 0.8167288718 -0.5 3. 1. -1.340790803 0.0 3. 1. 0.4065752705 2.0 3. 1. -0.1534754634 1.5 5. 1. -0.02414435149 6.0 1. 2. -0.02113056197 2.0 2. 2. -0.03565436205 10.0 2. 2. 0.001364654968 6.0 9. 2. -0.01251838755 18.0 3. 3. -0.001385761351 15.0 7. 3. 0.0007206335486 33.0 8. 4. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for R-113 of Marx et al. (1992). ? ?``````````````````````````````````````````````````````````````````````````````` ?Marx, V., Pruss, A., and Wagner, W., 1992. ? ?Note: Marx et al. give a Helmholtz form for the ideal gas term; it ? has been converted to a Cp0 form, by the transform: ? ?Cp0/R = (1 + a_3) + SUM{a_i*U_i*exp(U_i)/[1 - exp(U_i)]**2} ? where U_i = omega_i*T_n/T, T_n = Tcrit, ? and the a_i and omega_i are the original coefficients given by Mar.x ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.31451 !Reducing parameters for T, Cp0 1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 3.9999966 0.0 ! = 1 + a_3; power in T 12.4464495 511.4328 ! = omega_4 * T_n (T_n = 385.12 K) 2.72181845 1606.76324 ! = omega_5 * T_n 0.692712415 4202.92102 ! = omega_6 * T_n 3.32248298 1606.18738 ! = omega_7 * T_n #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for R-113 of Marx et al. (1992). ? ?``````````````````````````````````````````````````````````````````````````````` ?Marx, V., Pruss, A., and Wagner, W., 1992. ? ?Note: Marx et al. give a Helmholtz form for the ideal gas term; it ? has been converted to a Cp0 form, by the transform: ? ?Cp0/R = (1 + a_3) + SUM{a_i*U_i*exp(U_i)/[1 - exp(U_i)]**2} ? where U_i = omega_i*T_n/T, T_n = Tcrit, ? and the a_i and omega_i are the original coefficients given by Mar.x ? !``````````````````````````````````````````````````````````````````````````````` 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 2.9999966 1.0 !ai, ti for [ai*log(tau**ti)] terms -21.8558019331864664 0.0 !aj, ti for [ai*tau**ti] terms 11.9424565883167499 1.0 !aj, ti for [ai*tau**ti] terms 12.4464495 511.4328 !aj, ti for [ai*log(1-exp(-ti/T)] terms 2.72181845 1606.76324 0.692712415 4202.92102 3.32248298 1606.18738 -------------------------------------------------------------------------------- @EOS !---Equation of state--- FES !Helmholtz equation of state for R-113 of Span and Wagner (2003). ? ?``````````````````````````````````````````````````````````````````````````````` ?Span, R. and Wagner, W. ? "Equations of State for Technical Applications. III. Results for Polar Fluids," ? Int. J. Thermophys., 24(1):111-162, 2003. doi: 10.1023/A:1022362231796 ? ?The uncertainties of the equation of state are approximately 0.2% (to ? 0.5% at high pressures) in density, 1% (in the vapor phase) to 2% in ? heat capacity, 1% (in the vapor phase) to 2% in the speed of sound, and ? 0.2% in vapor pressure, except in the critical region. ? !``````````````````````````````````````````````````````````````````````````````` 236.93 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 9.09 !Maximum density [mol/L] CPP !Pointer to Cp0 model 187.376 !Molar mass [g/mol] 236.93 !Triple point temperature [K] 1.869 !Pressure at triple point [kPa] 9.0893 !Density at triple point [mol/L] 320.75 !Normal boiling point temperature [K] 0.252 !Acentric factor 487.21 3392.2 2.9886432 !Tc [K], pc [kPa], rhoc [mol/L] 487.21 2.9886432 !Reducing parameters [K, mol/L] 8.31451 !Gas constant [J/mol-K] 12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 1.0519071 0.25 1. 0. !a(i),t(i),d(i),l(i) -2.8724742 1.25 1. 0. 0.41983153 1.5 1. 0. 0.087107788 0.25 3. 0. 0.00024105194 0.875 7. 0. 0.70738262 2.375 1. 1. 0.93513411 2.0 2. 1. -0.0096713512 2.125 5. 1. -0.52595315 3.5 1. 2. 0.022691984 6.5 1. 2. -0.14556325 4.75 4. 2. -0.02741995 12.5 2. 3. ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ #ETA !---Viscosity--- VS1 !Estimation based on pure fluid viscosity model for R-134a of Huber et al. (2003), scaled to R113. :DOI: 10.1021/ie0300880 ? ?``````````````````````````````````````````````````````````````````````````````` ?The model is based on a scaling of the correlation presented below. ?Huber, M.L., Laesecke, A., and Perkins, R.A., ? "Model for the Viscosity and Thermal Conductivity of Refrigerants, Including ? a New Correlation for the Viscosity of R134a," ? Ind. Eng. Chem. Res., 42(13):3163-3178, 2003. doi: 10.1021/ie0300880 ? ?The estimated uncertainty in the liquid phase along the saturation boundary is 5 %, ? and of the vapor phase is 10 % ? !``````````````````````````````````````````````````````````````````````````````` 236.93 !Lower temperature limit [K] 525.0 !Upper temperature limit [K] 200000.0 !Upper pressure limit [kPa] 9.10 !Maximum density [mol/L] 1 !Number of terms associated with dilute-gas function CI1 !Pointer to reduced effective collision cross-section model 0.6019 !Lennard-Jones coefficient sigma [nm] 376.035 !Lennard-Jones coefficient epsilon/kappa [K] 1.0 1.38 !Reducing parameters for T, eta scaled 0.25090 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term] 9 !Number of terms for initial density dependence 376.035 0.13132 !Reducing parameters for T (=eps/k), etaB2 (= 0.6022137*sigma**3) -19.572881 0.0 !Coefficient, power in T* = T/(eps/k) 219.73999 -0.25 -1015.3226 -0.5 2471.0125 -0.75 -3375.1717 -1.0 2491.6597 -1.25 -787.26086 -1.5 14.085455 -2.5 -0.34664158 -5.50 -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 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) 3.163695635587490 0.0 !Alternative form for del10; numerator term -0.08901733752064137 1.0 !Alternative form for del10; denominator terms 0.1000352946668359 2.0 !Alternative form for del10; denominator terms -0.02069007192080741 0.0 1. 0. 0 ! beta1; powers of tau, del, del0; power of del in exponential [0 indicated no exponential term present] 0.0003560295489828222 -6.0 2. 0. 0 ! beta2 0.002111018162451597 -2.0 2. 0. 0 ! beta3 0.01396014148308975 -0.5 2. 0. 0 ! beta4 -0.004564350196734897 2.0 2. 0. 0 ! beta5 -0.00351593274583689 0.0 3. 0. 0 ! beta6 -0.2147633195397038 0.0 0. -1. 0 ! beta7 0.2147633195397038 0.0 0. 0. 0 ! beta7 in non-simple poly term 1.0 0.0 0. 1. 0 ! del0 term in denominator -1.0 0.0 1. 0. 0 ! -del term in denominator NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) #AUX !---Auxiliary function for the collision integral CI1 !Reduced effective collision cross-section model (empirical form in log(T*)) for R-113. ? ?``````````````````````````````````````````````````````````````````````````````` ?Reduced effective collision cross-section of Wilhelm & Vogel as reported by: ? Laesecke, A. (laesecke@boulder.nist.gov); unpublished correlation R134aFitSelDV ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 3 !Number of terms 0.355404 0 !Coefficient, power of Tstar -0.464337 1 0.0257353 2 ================================================================================ #TCX !---Thermal conductivity--- TC1 !Estimation based on pure fluid thermal conductivity model for R-125 of Perkins and Huber (2006), scaled to R113. :DOI: 10.1021/je050372t ? ?``````````````````````````````````````````````````````````````````````````````` ?The model is based on a scaling of the correlation presented below. ? Perkins, R.A. and Huber, M.L., ? "Measurement and Correlation of the Thermal Conductivity of Pentafluoroethane ? (R125) from 190 K to 512 K at Pressures to 70 MPa," ? J. Chem. Eng. Data, 51:898-904, 2006. ? ?The estimated uncertainty is 5-10%. ? !``````````````````````````````````````````````````````````````````````````````` 236.93 !Lower temperature limit [K] 525.0 !Upper temperature limit [K] 200000.0 !Upper pressure limit [kPa] 9.10 !Maximum density [mol/L] 3 0 !# terms for dilute gas function: numerator, denominator 487.21 1.1 !Reducing parameters for T, tcx -0.0046082 0. !Coefficient, power in T 0.0168688 1. 0.00488345 2. 10 0 !# terms for background gas function: numerator, denominator 487.21 2.988659 0.66 !Reducing parameters for T, rho, tcx -0.0072941 0. 1. 0. !Coefficient, powers of T, rho, spare for future use 0.0110497 1. 1. 0. 0.0416339 0. 2. 0. -0.0289236 1. 2. 0. -0.0311487 0. 3. 0. 0.0278399 1. 3. 0. 0.0112682 0. 4. 0. -0.01211 1. 4. 0. -0.00138322 0. 5. 0. 0.00211196 1. 5. 0. TK3 !Pointer to critical enhancement auxiliary function #AUX !---Auxiliary function for the thermal conductivity critical enhancement TK3 !Simplified thermal conductivity critical enhancement for R-113 of Olchowy and Sengers (1989). ? ?``````````````````````````````````````````````````````````````````````````````` ?Olchowy, G.A. and Sengers, J.V., ? "A Simplified Representation for the Thermal Conductivity of Fluids in the Critical Region," ? Int. J. Thermophys., 10:417-426, 1989. doi: 10.1007/BF01133538 ? !``````````````````````````````````````````````````````````````````````````````` 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) 1.03 !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) 0.194e-9 !Xi0 (amplitude) [m] 0.0496 !Gam0 (amplitude) [-] 0.5e-9 !Qd_inverse (modified effective cutoff parameter) [m]; generic number, not fitted to data 730.8 !Tref (reference temperature)=1.5*Tc [K] ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ @TRN !---ECS Transport--- ECS !Extended Corresponding States model (R134a reference); fitted to data for R-113. ? ?``````````````````````````````````````````````````````````````````````````````` ?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. ?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 ? ?THERMAL CONDUCTIVITY ?Thermal conductivity correlation by the ECS method based on data of: ? Yata, J., Minamiyama, T., and Tanaka, S., Measurement of Thermal Conductivity of Liquid Fluorocarbons, Int. J. of Thermophysics, 5(2), 1984. ? ?VISCOSITY ? The ECS parameters for viscosity were based on the data of: ? 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. ? Average absolute deviations of the fit from the experimental data are Kumagai: 0.24% ? ?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., Cachadiņa, 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 c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890