Toluene !Short name 108-88-3 !CAS number Methylbenzene !Full name CH3-C6H5 !Chemical formula {C7H8} Toluene !Synonym 92.13842 !Molar mass [g/mol] 178.0 !Triple point temperature [K] 383.75 !Normal boiling point [K] 591.75 !Critical temperature [K] 4126.3 !Critical pressure [kPa] 3.169 !Critical density [mol/L] 0.2657 !Acentric factor 0.36 !Dipole moment [Debye]; R.D. Nelson, D.R. Lide, and A.A. Maryott, "Selected Values of Electric Dipole Moments for Molecules in the Gas Phase," NSRDS-NBS 10, National Reference Data Series, US Government Printing Office, Washington, 1967. NBP !Default reference state 10.0 !Version number 1294 !UN Number :UN: aromatic !Family :Family: 3947.89 !Heating value (upper) [kJ/mol] :Heat: 2.7 !GWP (IPCC 2007) :GWP: 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 !Standard InChI String :InChi: YXFVVABEGXRONW-UHFFFAOYSA-N !Standard InChI Key :InChiKey: b398a3b0 (heptane) !Alternative fluid for mixing rules :AltID: a49b8b50 !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 E.W. Lemmon, NIST Physical and Chemical Properties Division, Boulder, Colorado ! 11-13-98 EWL, Original version. ! 04-24-00 EWL, Add very preliminary equation of state of Lemmon and Jacobsen. ! 07-21-00 EWL, Add second preliminary equation of state of Lemmon and Jacobsen. ! 04-06-04 EWL, Finalize short (12 term) equation of state. ! 04-19-04 AHH, Change dipole moment. ! 09-04-06 MLH, Add very preliminary predictive ECS transport. ! 03-12-09 EWL, Add vapor pressure ancillary equation. ! 07-01-10 EWL, Add ancillary equations. ! 07-05-10 EWL, Add transport equations. ! 09-02-10 MLH, Add ECS. ! 12-13-11 MLH, Add new thermal condictivity equation of Assael et al. (2012). ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ! 04-08-15 MLH, Add new viscosity model of Avgeri et al. (2015). ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for toluene of Lemmon and Span (2006). :TRUECRITICALPOINT: 591.75 3.169 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1021/je050186n ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., ? "Short Fundamental Equations of State for 20 Industrial Fluids," ? J. Chem. Eng. Data, 51(3):785-850, 2006. doi: 10.1021/je050186n ? ?The uncertainties in density in the equation of state are 0.05% in the ? liquid phase up to 540 K, 0.5% up to the critical temperature, 1% at ? higher temperatures, 0.5% at pressures from 100 to 500 MPa, and 0.2% in ? the vapor phase. The uncertainty for the saturated liquid density (and ? densities near atmospheric pressure) approaches 0.01% around 300 K. The ? uncertainties in vapor pressure are 0.3% from 270 to 305 K, 0.05% from ? 305 to 425 K, 0.1% up to 555 K, and 0.15% up to the critical temperature. ? The uncertainty in heat capacities is 0.5% and rises to 3% in the ? critical region. The uncertainty in the speed of sound is 1% up to 500 K ? and 100 MPa and rises to 2% at higher pressures and higher temperatures. ? !``````````````````````````````````````````````````````````````````````````````` 178.0 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 500000.0 !Upper pressure limit [kPa] 10.581 !Maximum density [mol/L] CPP !Pointer to Cp0 model 92.13842 !Molar mass [g/mol] 178.0 !Triple point temperature [K] 0.00003939 !Pressure at triple point [kPa] 10.58 !Density at triple point [mol/L] 383.75 !Normal boiling point temperature [K] 0.2657 !Acentric factor 591.75 4126.3 3.169 !Tc [K], pc [kPa], rhoc [mol/L] 591.75 3.169 !Reducing parameters [K, mol/L] 8.314472 !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 0.96464 0.25 1. 0. !a(i),t(i),d(i),l(i) -2.7855 1.125 1. 0. 0.86712 1.5 1. 0. -0.18860 1.375 2. 0. 0.11804 0.25 3. 0. 0.00025181 0.875 7. 0. 0.57196 0.625 2. 1. -0.029287 1.75 5. 1. -0.43351 3.625 1. 2. -0.12540 3.625 4. 2. -0.028207 14.5 3. 3. 0.014076 12.0 4. 3. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for toluene of Lemmon and Span (2006). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314472 !Reducing parameters for T, Cp0 1 5 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.0 0.0 1.6994 190.0 8.0577 797.0 17.059 1619.0 8.4567 3072.0 8.6423 7915.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for toluene of Lemmon and Span (2006). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 5 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms 3.5241204689061192 0.0 !aj, ti for [ai*tau**ti] terms 1.1360804066266901 1.0 !aj, ti for [ai*tau**ti] terms 1.6994 190.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 8.0577 797.0 17.059 1619.0 8.4567 3072.0 8.6423 7915.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for toluene. ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 2 5 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh 3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms 3.5241174832 0.0 !aj, ti for [ai*tau**ti] terms 1.1360823464 1.0 1.6994 -0.3210815378 !aj, ti for [ai*log(1-exp(ti*tau)] terms 8.0577 -1.346852556 17.059 -2.7359526827 8.4567 -5.1913814956 8.6423 -13.3755809041 -------------------------------------------------------------------------------- @EOS !---Equation of state--- FE1 !Helmholtz equation of state for toluene of Polt et al. (1992). ? ?``````````````````````````````````````````````````````````````````````````````` ?Polt, A., Platzer, B., and Maurer, G., ? "Parameter der thermischen Zustandsgleichung von Bender fuer 14 ? mehratomige reine Stoffe," ? Chem. Tech. (Leipzig), 44(6):216-224, 1992. ? !``````````````````````````````````````````````````````````````````````````````` 298.0 !Lower temperature limit [K] 673.0 !Upper temperature limit [K] 25000.0 !Upper pressure limit [kPa] 9.7242 !Maximum density [mol/L] CP1 !Pointer to Cp0 model 92.142 !Molar mass [g/mol] 178.0 !Triple point temperature [K] 3.774 !Pressure at triple point [kPa] 9.3606 !Density at triple point [mol/L] 383.766 !Normal boiling point temperature [K] 0.2654 !Acentric factor 591.72 4119.9 3.1473161 !Tc [K], pc [kPa], rhoc [mol/L] 591.72 3.1473161 !Reducing parameters [K, mol/L] 8.3143 !Gas constant [J/mol-K] 22 5 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms -0.343905499875 3. 0. 0. 0. !a(i),t(i),d(i),l(i) 0.737562743137 4. 0. 0. 0. -0.158601557810 5. 0. 0. 0. 1.13243121503 0. 1. 0. 0. -2.53681929563 1. 1. 0. 0. 1.04584338973 2. 1. 0. 0. -1.1573211938 3. 1. 0. 0. 0.176205273278 4. 1. 0. 0. -0.242942016719 0. 2. 0. 0. 0.398925293195 1. 2. 0. 0. 0.193881828889 2. 2. 0. 0. 0.199426230143 0. 3. 0. 0. -0.306598708746 1. 3. 0. 0. -0.0114697533947 0. 4. 0. 0. 0.0230068676459 1. 4. 0. 0. 0.00658341220591 1. 5. 0. 0. 0.343905499875 3. 0. 2. 0.841 -0.737562743137 4. 0. 2. 0.841 0.158601557810 5. 0. 2. 0.841 0.407079283970 3. 2. 2. 0.841 -0.681406141650 4. 2. 2. 0.841 0.110425925004 5. 2. 2. 0.841 @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for toluene. ? ?``````````````````````````````````````````````````````````````````````````````` ?Polt, A., Platzer, B., and Maurer, G., ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 92.142 !Reducing parameters for T, Cp0 5 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh -0.321892 0.0 0.00579338 1.0 -0.00000348446 2.0 0.143577e-8 3.0 -0.71935e-12 4.0 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ #ETA !---Viscosity--- VS1 !Pure fluid viscosity model for toluene of Avgeri et al. (2015). :DOI: 10.1063/1.4926955 ? ?``````````````````````````````````````````````````````````````````````````````` ?Avgeri, S., Assael, M.J., Huber, M.L., and Perkins, R.A., ? "Reference Correlation of the Viscosity of Toluene from the Triple Point to 675 K and up to 500 MPa," ? J. Phys. Chem. Ref. Data, 44(3), 033101, 2015. doi: 10.1063/1.4926955 ? ?The estimated uncertainty at a 95% confidence level varies depending on the region of temperature and pressure ? from a low of 0.3% for the low-density gas at temperatures from 305 K to 640 K at pressures to 0.3 MPa ? to 0.7% for the saturated liquid at temperatures from 263 K to 373 K, to 5% for the low-temperature liquid ? from 187 K to 210 K at pressures to 15 MPa. ? !``````````````````````````````````````````````````````````````````````````````` 178.0 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 500000.0 !Upper pressure limit [kPa] 10.581 !Maximum density [mol/L] 1 !Number of terms associated with dilute-gas function CI1 !Pointer to reduced effective collision cross-section model 0.524 !Lennard-Jones coefficient sigma [nm] 472.0 !Lennard-Jones coefficient epsilon/kappa [K] 1.0 1.0 !Reducing parameters for T, eta 0.20500319 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term] 9 !Number of terms for initial density dependence 472. 0.0866452 !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 -5.5 0 0 8 3 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential 591.75 3.169001703 1.0 !Reducing parameters for T, rho, eta (correlation in terms of uPa-s) -159.279468 -0.5 1.6666666666 0. 0 !Coefficient, power of tau, del n1 19.9192161 -0.5 3.6666666667 0. 0 !Coefficient, power of tau, del n2 21.236423 -0.5 4.6666666667 0. 0 !Coefficient, power of tau, del n3 -2.6557905 -0.5 6.6666666667 0. 0 !Coefficient, power of tau, del n4 -138.53326 0.5 1.6666666667 0. 0 !Coefficient, power of tau, del n5 -146.018028 0.5 3.6666666667 0. 0 !Coefficient, power of tau, del n6 29.252989 0.5 4.6666666667 0. 0 !Coefficient, power of tau, del n7 111.401629 1.5 1.6666666667 0. 0 !Coefficient, power of tau, del n8 -7.9962719 0.0 0. 0. 0 !Coefficient, power of tau, del d1 1.0 0.0 2. 0. 0 !Coefficient, power of tau, del d2 -11.0147955 1.0 0. 0. 0 !Coefficient, power of tau, del d3 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 toluene. ? ?``````````````````````````````````````````````````````````````````````````````` ?Avgeri, S., Assael, M.J., Huber, M.L., and Perkins, R.A., 2015. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 4 !Number of terms 0.401080 0 !Coefficient, power of Tstar -0.476409 1 0.0 2 0.069442 3 ================================================================================ #TCX !---Thermal conductivity--- TC1 !Pure fluid thermal conductivity model for toluene of Assael et al. (2012). :DOI: 10.1063/1.3700155 ? ?``````````````````````````````````````````````````````````````````````````````` ?Assael, M.J., Mylona, S.K., Huber, M.L., and Perkins, R.A., ? "Reference Correlation of the Thermal Conductivity of Toluene from the Triple Point ? to 1000 K and up to 1000 MPa," ? J. Phys. Chem. Ref. Data, 41, 023101, 2012. doi: 10.1063/1.3700155 ? ?The uncertainty is estimated, for pressures less than 700 MPa and temperatures less than 550 K, ? to be less than 3% for the liquid, while for the region 550 K = T = 700 K the uncertainty ? is estimated to be 4%. For the region T > 700 K and 500 MPa = p = 1000 MPa, ? the equations can safely be used with an uncertainty of the order of 10%. ? Finally, the uncertainty along the saturation line is estimated to be 2%. ? !``````````````````````````````````````````````````````````````````````````````` 170.0 !Lower temperature limit [K] 2000.0 !Upper temperature limit [K] 1000000.0 !Upper pressure limit [kPa] 20.0 !Maximum density [mol/L] 6 0 !# terms for dilute gas function: numerator, denominator 1.0 0.001 !Reducing parameters for T, tcx 5.8808 0. !Coefficient, power in T -0.061693 1. 3.4151e-4 2. -3.042e-7 3. 1.2868e-10 4. -2.1303e-14 5. 12 0 !# terms for background gas function: numerator, denominator 591.75 3.169 1. !Reducing parameters for T, rho, tcx -0.051853 0. 1. 0. 0.133846 0. 2. 0. -0.120446 0. 3. 0. 0.0530211 0. 4. 0. -0.0100604 0. 5. 0. 0.000633457 0. 6. 0. 0.0517449 1. 1. 0. -0.121902 1. 2. 0. 0.137748 1. 3. 0. -0.0732792 1. 4. 0. 0.0172914 1. 5. 0. -0.00138585 1. 6. 0. TK3 !Pointer to critical enhancement auxiliary function #AUX !---Auxiliary function for the thermal conductivity critical enhancement TK3 !Simplified thermal conductivity critical enhancement for toluene of Assael et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Assael, M.J., Mylona, S.K., Huber, M.L., and Perkins, R.A., 2012. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 9 0 0 0 !# terms: 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) 0.22e-9 !Xi0 (amplitude) [m] 0.05 !Gam0 (amplitude) [-] 0.62e-9 !Qd_inverse (modified effective cutoff parameter) [m] 887.625 !Tref (reference temperature) [K] ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ @TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference); predictive mode for toluene. ? ?``````````````````````````````````````````````````````````````````````````````` ?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY *** ?Unpublished; uses method described in the following reference: ?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 Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 178.0 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 500000.0 !Upper pressure limit [kPa] 10.581 !Maximum density [mol/L] FEQ PROPANE.FLD VS1 !Model for reference fluid viscosity TC1 !Model for reference fluid thermal conductivity NUL !Large molecule identifier 1 !Lennard-Jones flag (0 or 1) (0 => use estimates) 0.5507 !Lennard-Jones coefficient sigma [nm] 469.90 !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 3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.64387 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.52457 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 0.103043 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare 2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2 1.09724 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0167852 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare TK3 !Pointer to critical enhancement auxiliary function ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for toluene 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 591.75 !Critical temperature used in fit (dummy) 0.06897 1.291 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for toluene of Lemmon et al. (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W., 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. ! 591.75 4126.3 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -7.45201 1.0 2.03681 1.5 -1.43777 2.13 -3.51652 4.0 -1.75818 12.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for toluene of Lemmon et al. (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W., 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. ! 591.75 3.169 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 14.0531 0.54 -32.5072 0.72 35.1091 0.93 -16.0694 1.2 2.38699 2.0 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for toluene of Lemmon et al. (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W., 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. ! 591.75 3.169 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -2.97587 0.425 -5.34939 1.06 -19.1781 3.0 -24.0058 6.3 -32.4034 7.0 -140.645 15.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890 @TCX !Thermal conductivity model specification TC1 pure fluid thermal conductivity model of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Laesecke, A., 2010. ? Unpublished preliminary equation for the thermal conductivity of toluene. ? This equation should not be used for calibration purposes. ? ?For a limited standard, see: Ramires, M.L.V., de Castro, C.A.N., Perkins, R.A., et al. ? Reference data for the thermal conductivity of saturated liquid toluene over a wide range of temperatures, ? J. Phys. Chem. Ref. Data, 29:133-139, 2000. doi: 10.1063/1.556057 ? !``````````````````````````````````````````````````````````````````````````````` 1.0 !Lower temperature limit [K] 2000.0 !Upper temperature limit [K] 2200000.0 !Upper pressure limit [kPa] 53.15 !Maximum density [mol/L] 3 0 !# terms for dilute gas function: numerator, denominator 591.75 0.001 !Reducing parameters for T, tcx 28.96745197 1.20532335 !Coefficient, power in T -167.24996945 1.58866032 180.04690463 1.71267964 6 0 !# terms for background gas function: numerator, denominator 591.75 3.169 0.001 !Reducing parameters for T, rho, tcx -3.18905053658 -0.53316 4. 0. !Coefficient, powers of T, rho, exp(rho) 25.8544682121 -0.27224 3. 0. -26.3059677817 -0.09974 5. 1. -0.691196173614 -5.53274 7. 2. 0.054242865164 -6.84315 8. 2. -0.326501347819 -0.39659 3. 2. TK3 !Pointer to critical enhancement auxiliary function @AUX !---Thermal conductivity critical enhancement model TK3 simplified thermal conductivity critical enhancement of Lemmon and Laesecke (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Laesecke, A., 2010. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 9 0 0 0 !# terms: terms, spare, spare, spare 1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)] 0.63 !Nu (universal exponent) 1.2415 !gamma (universal exponent) 1.01 !R0 (universal amplitude) 0.065 !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) 0.33442441e-9 !xi0 (amplitude) [m] 0.055 !gam0 (amplitude) [-] 0.71763799e-9 !qd_inverse (modified effective cutoff parameter) [m] 1183.50 !Tref (reference temperature) [K] @ETA !Viscosity model specification VS1 pure fluid viscosity model of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Laesecke, A., 2010. ? Unpublished preliminary equation for the viscosity of toluene. ? This equation should not be used for calibration purposes. ? ?For a limited standard, see: Santos, F.J.V., de Castro, C.A.N, Dymond, J.H., et al., ? Standard reference data for the viscosity of toluene, ? J. Phys. Chem. Ref. Data, 35:1-8, 2006. doi: 10.1063/1.1928233 ? !``````````````````````````````````````````````````````````````````````````````` 1.0 !Lower temperature limit [K] 2000.0 !Upper temperature limit [K] 2200000.0 !Upper pressure limit [kPa] 50.0 !Maximum density [mol/L] 1 !Number of terms associated with dilute-gas function CI1 !Pointer to reduced effective collision cross-section model 0.5507 !Lennard-Jones coefficient sigma [nm] 469.90 !Lennard-Jones coefficient epsilon/kappa [K] 1.0 1.0 !Reducing parameters for T, eta 9.598876 0.5 !Chapman-Enskog term 0 !Number of terms for initial density dependence 0 10 0 0 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential 591.75 3.169 1.0 !Reducing parameters for T, rho, eta 15.7560701809 -0.2843 1. 0. 0 !Simple polynomial terms 65.8234203776 -2.4238 2. 0. 0 -90.9162962259 -2.7667 2. 0. 1 -80.6740654754 -3.0019 4. 0. 1 3.95093273404 -3.2869 6. 0. 2 0.0867277691823 -6.0789 9. 0. 1 -0.00928414042924 -6.1564 11. 0. 1 0.98226489285e-5 -6.8541 12. 0. 0 -0.000785434913708 -5.5123 17. 0. 2 0.169683455336e-7 -4.1175 19. 0. 0 NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) @AUX !---Collision integral specification CI1 collision integral model of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 5 !Number of terms 4.16412004 0 !Coefficient, power of Tstar -0.51985826 1 0.02635729 2 0.30985922 3 0.11296801 4