Hexane !Short name 110-54-3 !CAS number Hexane !Full name CH3-4(CH2)-CH3 !Chemical formula {C6H14} n-Hexane !Synonym 86.17536 !Molar mass [g/mol] 177.83 !Triple point temperature [K] 341.866 !Normal boiling point [K] 507.82 !Critical temperature [K] 3044.1 !Critical pressure [kPa] 2.706 !Critical density [mol/L] 0.30 !Acentric factor 0.07 !Dipole moment [Debye]; (estimated value) NBP !Default reference state 10.0 !Version number 1208 !UN Number :UN: n-alkane !Family :Family: 4194.95 !Heating value (upper) [kJ/mol] :Heat: 1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 !Standard InChI String :InChi: VLKZOEOYAKHREP-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: cb03ba40 !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 ! 04-02-98 EWL, Original version. ! 11-09-98 EWL, Add equations of Span and of Polt et al. ! 05-28-04 MLH, Add TK3. ! 08-05-04 EWL, Add Harvey and Lemmon dielectric correlation. ! 03-05-07 MLH, Add VS4 model. ! 04-11-12 MLH, Add extra blank FT coeff for consistent formatting. ! 09-05-12 MLH, Add new thermal conductivity formulation of Assael et al. (2013). ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ! 08-02-13 MLH, Add sr hexane viscosity model of Michailidou et al. (2013). ! 02-28-17 MT, Add new EOS of Thol et al. (2017). ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for hexane of Thol et al. (2018). :TRUECRITICALPOINT: 507.82 2.706 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Wang, Y., Lemmon, E.W., and Span, R., ? "Fundamental Equations of State for Hydrocarbons. Part II. n-Hexane," ? to be published, 2018. ? !``````````````````````````````````````````````````````````````````````````````` 177.83 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 8.81 !Maximum density [mol/L] CPP !Pointer to Cp0 model 86.17536 !Molar mass [g/mol] 177.83 !Triple point temperature [K] 0.001189 !Pressure at triple point [kPa] 8.80 !Density at triple point [mol/L] 341.866 !Normal boiling point temperature [K] 0.30 !Acentric factor 507.82 3044.1 2.706 !Tc [K], pc [kPa], rhoc [mol/L] 507.82 2.706 !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 0.0446249 1.0 4. 0. !a(i),t(i),d(i),l(i) 1.740621 0.303 1. 0. -2.050688 0.845 1. 0. -0.7724346 1.055 2. 0. 0.2116422 0.523 3. 0. -3.187864 1.48 1. 2. -1.134719 2.06 3. 2. 0.6817086 1.19 2. 1. -1.111314 1.883 2. 2. -0.02377251 0.98 7. 1. 3.744662 0.94 1. 2. 2. -0.864 -0.7 1.21 0.767 0. 0. 0. -0.4322223 1.47 3. 2. 2. -1.094 -0.52 1.13 0.707 0. 0. 0. -0.8054799 1.11 2. 2. 2. -0.751 -0.69 1.0 0.692 0. 0. 0. -1.055577 0.895 2. 2. 2. -1.062 -0.88 0.82 0.46 0. 0. 0. -0.02932639 1.73 1. 2. 2. -6.6 -180. 1.14 0.92 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 hexane of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Wang, Y., Lemmon, E.W., and Span, R., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3144598 !Reducing parameters for T, Cp0 1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.0 0.0 9.21 190.0 6.04 3000.0 25.3 1500.0 10.96 4500.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for hexane of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Wang, Y., Lemmon, E.W., and Span, R., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 4 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 12.3137913581698513 0.0 !aj, ti for [ai*tau**ti] terms -1.3163412546284243 1.0 !aj, ti for [ai*tau**ti] terms 9.21 190.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 6.04 3000.0 25.3 1500.0 10.96 4500.0 -------------------------------------------------------------------------------- @EOS !---Equation of state--- FEK !Helmholtz equation of state for hexane of Kunz and Wagner (2004). ? ?``````````````````````````````````````````````````````````````````````````````` ?Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M. ? "The GERG-2004 Wide-Range Equation of State for Natural Gases ? and Other Mixtures," GERG Technical Monograph 15, ? Fortschritt-Berichte VDI, VDI-Verlag, Düsseldorf, 2007. ? !``````````````````````````````````````````````````````````````````````````````` 177.83 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 8.85 !Maximum density [mol/L] PHK !Pointer to Cp0 model 86.17536 !Molar mass [g/mol] 177.83 !Triple point temperature [K] 0.001277 !Pressure at triple point [kPa] 8.839 !Density at triple point [mol/L] 341.86 !Normal boiling point temperature [K] 0.30 !Acentric factor 507.82 3041.7 2.705877875 !Tc [K], pc [kPa], rhoc [mol/L] 507.82 2.705877875 !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 1.0553238013661 0.25 1. 0. -2.6120615890629 1.125 1. 0. 0.7661388296726 1.5 1. 0. -0.29770320622459 1.375 2. 0. 0.11879907733358 0.250 3. 0. 0.00027922861062617 0.875 7. 0. 0.46347589844105 0.625 2. 1. 0.011433196980297 1.75 5. 1. -0.48256968738131 3.625 1. 2. -0.093750558924659 3.625 4. 2. -0.0067273247155994 14.5 3. 3. -0.0051141583585428 12.0 4. 3. @AUX !---Auxiliary function for PH0 PHK !Ideal gas Helmholtz form for hexane of Kunz and Wagner (2004). ? ?``````````````````````````````````````````````````````````````````````````````` ?Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 2 0 1 2 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 14.345969349 0.0 !aj, ti for [ai*tau**ti] terms -96.165722367 1.0 -26.8142 1.691951873 !aj, ti for cosh and sinh terms 11.6977 0.359036667 38.6164 3.596924107 @EOS !---Equation of state--- FE1 !Helmholtz equation of state for hexane of Span and Wagner (2003). ? ?``````````````````````````````````````````````````````````````````````````````` ?Span, R. and Wagner, W. ? "Equations of State for Technical Applications. II. Results for Nonpolar Fluids," ? Int. J. Thermophys., 24(1):41-109, 2003. doi: 10.1023/A:1022310214958 ? ?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. ? !``````````````````````````````````````````````````````````````````````````````` 177.83 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 8.85 !Maximum density [mol/L] CP1 !Pointer to Cp0 model 86.17536 !Molar mass [g/mol] 177.83 !Triple point temperature [K] 0.001277 !Pressure at triple point [kPa] 8.8394 !Density at triple point [mol/L] 341.865 !Normal boiling point temperature [K] 0.299 !Acentric factor 507.82 3034.0 2.7058779 !Tc [K], pc [kPa], rhoc [mol/L] 507.82 2.7058779 !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 1.0553238 0.25 1. 0. !a(i),t(i),d(i),l(i) -2.6120616 1.125 1. 0. 0.76613883 1.5 1. 0. -0.29770321 1.375 2. 0. 0.11879908 0.25 3. 0. 0.00027922861 0.875 7. 0. 0.46347590 0.625 2. 1. 0.011433197 1.75 5. 1. -0.48256969 3.625 1. 2. -0.093750559 3.625 4. 2. -0.0067273247 14.5 3. 3. -0.0051141584 12.0 4. 3. @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for hexane. ? ?``````````````````````````````````````````````````````````````````````````````` ?Jaeschke, M. and Schley, P. ? "Ideal-Gas Thermodynamic Properties for Natural-Gas Applications," ? Int. J. Thermophys., 16(6):1381-1392, 1995. doi: 10.1007/BF02083547 ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.31451 !Reducing parameters for T, Cp0 1 0 1 2 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.0 0.0 19795230.0 -2.0 0859.207 -1.0 -2.0 388864.0 -2.0 182.326 -1.0 -2.0 128841000.0 -2.0 1826.59 -1.0 -2.0 @EOS !---Equation of state--- FE2 !Helmholtz equation of state for hexane 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. ? !``````````````````````````````````````````````````````````````````````````````` 223.0 !Lower temperature limit [K] 623.0 !Upper temperature limit [K] 510000.0 !Upper pressure limit [kPa] 8.726125 !Maximum density [mol/L] CP2 !Pointer to Cp0 model 86.178 !Molar mass [g/mol] 177.83 !Triple point temperature [K] 0.001277 !Pressure at triple point [kPa] 8.8394 !Density at triple point [mol/L] 341.896 !Normal boiling point temperature [K] 0.3036 !Acentric factor 507.85 3063.0 2.7153102 !Tc [K], pc [kPa], rhoc [mol/L] 507.85 2.7153102 !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 -1.57654494847 3. 0. 0. 0. !a(i),t(i),d(i),l(i) 1.78731485778 4. 0. 0. 0. -0.341262936801 5. 0. 0. 0. 1.1491946826 0. 1. 0. 0. -3.81451065649 1. 1. 0. 0. 3.56688884337 2. 1. 0. 0. -2.74863278063 3. 1. 0. 0. 0.391987699726 4. 1. 0. 0. 0.346062554746 0. 2. 0. 0. -0.139140552239 1. 2. 0. 0. 0.489013943543 2. 2. 0. 0. -0.0529751545354 0. 3. 0. 0. -0.149303737787 1. 3. 0. 0. 0.0455990262306 0. 4. 0. 0. -0.0564866336099 1. 4. 0. 0. 0.0152437539639 1. 5. 0. 0. 1.57654494847 3. 0. 2. 1.00773692 -1.78731485778 4. 0. 2. 1.00773692 0.341262936801 5. 0. 2. 1.00773692 0.139479099785 3. 2. 2. 1.00773692 0.5076238131 4. 2. 2. 1.00773692 -0.655600474113 5. 2. 2. 1.00773692 @AUX !---Auxiliary function for Cp0 CP2 !Ideal gas heat capacity function for hexane. ? ?``````````````````````````````````````````````````````````````````````````````` ?Polt, A., Platzer, B., and Maurer, G., ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3143 !Reducing parameters for T, Cp0 5 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 2.5200507 0.0 0.05280653 1.0 -0.0000057861557 2.0 -0.1089904e-7 3.0 -0.18988742e-12 4.0 @EOS !---Equation of state--- FE3 !Helmholtz equation of state for hexane of Starling (1973). ? ?``````````````````````````````````````````````````````````````````````````````` ?Starling, K.E., ? "Fluid Thermodynamic Properties for Light Petroleum Systems," ? Gulf Publishing Company, 1973. ? !``````````````````````````````````````````````````````````````````````````````` 222.04 !Lower temperature limit [K] 644.0 !Upper temperature limit [K] 55000.0 !Upper pressure limit [kPa] 8.6724844 !Maximum density [mol/L] CP3 !Pointer to Cp0 model 86.172 !Molar mass [g/mol] 177.83 !Triple point temperature [K] 0.001277 !Pressure at triple point [kPa] 8.8394 !Density at triple point [mol/L] 342.431 !Normal boiling point temperature [K] 0.312 !Acentric factor 507.85 3058.0 2.7159228 !Tc [K], pc [kPa], rhoc [mol/L] 507.85 2.7159228 !Reducing parameters [K, mol/L] 8.3159524 !Gas constant [J/mol-K] 13 5 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 2.61128818398 3. 0. 0. 0. !a(i),t(i),d(i),l(i) 0.45139678077 0. 1. 0. 0. -0.783362300734 1. 1. 0. 0. -1.08785843809 3. 1. 0. 0. 0.124906986929 4. 1. 0. 0. -0.0155020819852 5. 1. 0. 0. 0.42399441457 0. 2. 0. 0. -0.636532521368 1. 2. 0. 0. -0.0524764104726 2. 2. 0. 0. 0.0120405133154 1. 5. 0. 0. 0.000992632580157 2. 5. 0. 0. -2.61128818398 3. 0. 2. 0.42752599 -0.558196781075 3. 2. 2. 0.42752599 @AUX !---Auxiliary function for Cp0 CP3 !Ideal gas heat capacity function for hexane. ? ?``````````````````````````````````````````````````````````````````````````````` ?Starling, K.E., ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 4.184 !Reducing parameters for T, Cp0 1 0 1 1 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 26.6225 0.0 35806766.0 -2.0 802.069 -1.0 -2.0 237384460.0 -2.0 1718.49 -1.0 -2.0 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ #ETA !---Viscosity--- VS1 !Pure fluid viscosity model for hexane of Michailidou et al. (2013). :DOI: 10.1063/1.4818980 ? ?``````````````````````````````````````````````````````````````````````````````` ?Michailidou, E.K., Assael, M.J., Huber, M.L., and Perkins, R.A., ? "Reference Correlation of the Viscosity of n-Hexane from the Triple Point to 600 K and up to 100 MPa," ? J. Phys. Chem. Ref. Data, 42(3), 033104, 2013. ? doi: 10.1063/1.4818980 ? ?The estimated uncertainty is 2% for the liquid phase at temperatures from the ? triple point to 450 K and pressures to 100 MPa. For the liquid at 450 K to ? 600 K at pressures to 100 MPa, the estimated uncertainty is 6%. ? The estimated uncertainty is 0.3% for the low-density gas at pressures to 0.3 MPa. ? !``````````````````````````````````````````````````````````````````````````````` 177.83 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 8.85 !Maximum density [mol/L] 1 !Number of terms associated with dilute-gas function CI1 !Pointer to reduced effective collision cross-section model 0.6334 !Lennard-Jones coefficient sigma [nm] 378.4 !Lennard-Jones coefficient epsilon/kappa [K] 1.0 1.0 !Reducing parameters for T, eta 0.19825849 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term] 9 !Number of terms for initial density dependence 378.4 0.15303290 !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 0 0 11 11 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential 507.82 2.7059 1.0 !Reducing parameters for T, rho, eta (correlation in terms of uPa-s) 12.61832692 0.5 0.6666666666 0. 0 ! n1 -7.86714659 0.5 1.6666666667 0. 0 ! n2 4263.15607 0.5 2.6666666667 0. 0 ! n3 -2657.207686 0.5 3.6666666667 0. 0 ! n4 401.7875536 0.5 4.6666666667 0. 0 ! n5 -32.0034473 1.5 0.6666666667 0. 0 ! n6 78.9198326 1.5 1.6666666667 0. 0 ! n7 14943.7467 1.5 2.6666666667 0. 0 ! n8 10595.1183 1.5 3.6666666667 0. 0 ! n9 10.3908352 2.5 0.6666666667 0. 0 ! n10 88.3387415 2.5 1.6666666667 0. 0 ! n11 4.97956221 1.0 0. 0. 0 ! d1 -3.104606982 1.0 1. 0. 0 ! d2 1682.366532 1.0 2. 0. 0 ! d3 -1048.612155 1.0 3. 0. 0 ! d4 158.5571631 1.0 4. 0. 0 ! d5 14.65799322 2.0 0. 0. 0 ! d6 -7.652199891 2.0 1. 0. 0 ! d7 1369.09049 2.0 2. 0. 0 ! d8 -350.8433299 2.0 3. 0. 0 ! d9 8.628373915 3.0 0. 0. 0 ! d10 -2.212724566 3.0 1. 0. 0 ! d11 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 hexane. ? ?``````````````````````````````````````````````````````````````````````````````` ?Michailidou, E.K., Assael, M.J., Huber, M.L., and Perkins, R.A., 2013. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 3 !Number of terms 0.18760 0 !Coefficient, power of Tstar -0.48430 1 0.04477 2 ================================================================================ #TCX !---Thermal conductivity--- TC1 !Pure fluid thermal conductivity model for hexane of Assael et al. (2013). :DOI: 10.1063/1.4793335 ? ?``````````````````````````````````````````````````````````````````````````````` ?Assael, M.J., Mylona, S.K., Tsiglifisi, Ch.A., Huber, M.L., and Perkins, R.A., ? "Reference Correlation of the Thermal Conductivity of n-Hexane ? from the Triple Point to 600 K and up to 500 MPa," ? J. Phys. Chem. Ref. Data, 42, 013106, 2013. ? doi: 10.1063/1.4793335 ? ?The overall uncertainty, for pressures less than 650 MPa and ? temperatures less than 750 K, is estimated to be less than 4.2%. Larger uncertainties exist ? in the critical region. ? !``````````````````````````````````````````````````````````````````````````````` 177.83 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 220000.0 !Upper pressure limit [kPa] 8.85 !Maximum density [mol/L] 4 0 !# terms for dilute gas function: numerator, denominator 507.82 0.001 !Reducing parameters for T, tcx 6.6742 0. -23.7619 1. 72.0155 2. -18.3714 3. 10 0 !# terms for background gas function: numerator, denominator 507.82 2.7059 1. !Reducing parameters for T, rho, tcx -0.0301408 0. 1. 0. 0.167975 0. 2. 0. -0.129739 0. 3. 0. 0.0382833 0. 4. 0. -0.00370294 0. 5. 0. 0.0218208 1. 1. 0. -0.100833 1. 2. 0. 0.077418 1. 3. 0. -0.0215945 1. 4. 0. 0.00212487 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 hexane 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) 1.02 !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) 0.2364e-9 !Xi0 (amplitude) [m] 0.05803 !Gam0 (amplitude) [-] 0.737e-9 !Qd_inverse (modified effective cutoff parameter) [m]; estimated-not fitted to data 761.73 !Tref (reference temperature)=1.5*Tc [K] ******************************************************************************** @ETA !---Viscosity--- VS2 !Pure fluid viscosity model from NIST14 for hexane. ? ?``````````````````````````````````````````````````````````````````````````````` ?Coefficients are taken from NIST14, Version 9.08 ? ?Estimated uncertainty is 2 %. ? !``````````````````````````````````````````````````````````````````````````````` 177.83 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 700000.0 !Upper pressure limit [kPa] 8.85 !Maximum density [mol/L] CI0 !Pointer to collision integral model 0.5949 !Lennard-Jones coefficient sigma [nm] 399.3 !Lennard-Jones coefficient epsilon/kappa [K] 0.247780666 !Const 0.5 !Exponent for T 0.0 !Coefficient for initial density dependence of viscosity 0.0 0.0 100.0 -18.180936383994 !Coefficients for residual viscosity 3263.1590998 17.765176425 -53270.220915 -0.32352381766 195.54170454 38519.153073 2.704 NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) @ETA !---Viscosity--- VS4 !Pure fluid generalized friction theory viscosity model for hexane of Quinones-Cisneros and Deiters (2006). ? ?``````````````````````````````````````````````````````````````````````````````` ?Quinones-Cisneros, S.E. and Deiters, U.K., ? "Generalization of the Friction Theory for Viscosity Modeling," ? J. Phys. Chem. B, 110(25):12820-12834, 2006. doi: 10.1021/jp0618577 ? !``````````````````````````````````````````````````````````````````````````````` 177.83 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 700000.0 !Upper pressure limit [kPa] 8.85 !Maximum density [mol/L] 4 0 0 0 0 0 !Number of terms associated with dilute-gas function NUL !Pointer to reduced effective collision cross-section model; not used 0.5949 !Lennard-Jones coefficient sigma [nm] (not used) 399.3 !Lennard-Jones coefficient epsilon/kappa [K] (not used) 507.82 1.0 !Reducing parameters for T, eta 0.0 0.5 !Chapman-Enskog term; not used here 16.9975 0.0 !Empirical terms for eta0 -54.2985 0.25 48.0065 0.50 0 !Number of terms for initial density dependence -6.63500718148775e-5 -2.14251735181008e-5 7.74647275349291e-14 0. 0. ! a(0),a(1),a(2) 1.64280427908191e-4 -1.34908441238411e-4 -2.17284146069693e-14 0. 0. ! b(0),b(1),b(2) 7.25570985e-5 -3.1215304e-6 0.0 0. 0. ! c(0),c(1),c(2) 1.45983786505096e-9 -8.15150058452202e-10 0.0 0. 0. ! A(0),A(1),A(2) 2.59524353609885e-8 1.69361972245028e-9 0.0 0. 0. ! B(0),B(1),B(2) -2.29226420147789e-6 1.18011366260701e-6 0.0 0. 0. ! C(0),C(1),C(2) 0.0 0.0 0.0 0. 0. ! D(0),D(1),D(2) 0.0 0.0 0.0 0. 0. ! E(0),E(1),E(2) NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ @TRN !---ECS Transport--- ECS !Extended Corresponding States model (Nitrogen reference); predictive mode for hexane. ? ?``````````````````````````````````````````````````````````````````````````````` ?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 ? ?The Lennard-Jones parameters were taken from Reid, R.C., Prausnitz, J.M., and Poling, B.E., "The Properties of Gases and Liquids," 4th edition, New York, McGraw-Hill Book Company, 1987. ? !``````````````````````````````````````````````````````````````````````````````` 177.83 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 700000.0 !Upper pressure limit [kPa] 8.85 !Maximum density [mol/L] FEQ NITROGEN.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) 0.5949 !Lennard-Jones coefficient sigma [nm] for ECS method 399.3 !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 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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for hexane of Mulero et al. (2012). :DOI: 10.1063/1.4768782 ? ?``````````````````````````````````````````````````````````````````````````````` ?Mulero, A., Cachadiña, 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. ! 2 !Number of terms in surface tension model 507.82 !Critical temperature used in fit (dummy) 0.210952 1.0962 !Sigma0 and n -0.158485 1.05893 #DE !---Dielectric constant--- DE3 !Dielectric constant model for hexane of Harvey and Lemmon (2005). :DOI: 10.1007/s10765-005-2351-5 ? ?``````````````````````````````````````````````````````````````````````````````` ?Harvey, A.H. and Lemmon, E.W., ? "Method for Estimating the Dielectric Constant of Natural Gas Mixtures," ? Int. J. Thermophys., 26(1):31-46, 2005. doi: 10.1007/s10765-005-2351-5 ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 273.16 1000.0 1.0 !Reducing parameters for T and D 1 2 4 0 0 0 !Number of terms in dielectric constant model 0.10924 -1. 1. 0. !Coefficient, T exp, D exp 30.18 0. 1. 0. 0.030 1. 1. 0. 222.31 0. 2. 0. 232.62 1. 2. 0. -36872.0 0. 3. 0. -25733.0 1. 3. 0. #PS !---Vapor pressure--- PS5 !Vapor pressure equation for hexane of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Wang, Y., Lemmon, E.W., and Span, R., 2018. ? ?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. ! 507.82 3044.1 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -7.6540 1.0 2.7644 1.5 -2.2850 1.92 -3.7190 4.08 -1.6460 15.45 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for hexane of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Wang, Y., Lemmon, E.W., and Span, R., 2018. ? ?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. ! 507.82 2.706 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 2.3020 0.373 0.3493 1.068 0.9563 3.993 -1.5430 5.36 1.0452 6.87 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for hexane of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Wang, Y., Lemmon, E.W., and Span, R., 2018. ? ?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. ! 507.82 2.706 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -3.4056 0.419 -7.5474 1.355 -22.828 3.473 -57.063 7.1 -125.0 15.0 -265.50 30.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890 @TCX !Thermal conductivity model specification TC1 pure fluid thermal conductivity model ? ?``````````````````````````````````````````````````````````````````````````````` ?Coefficients are taken from NIST14, Version 9.08 ? ?Critical enhancement model of Olchowy and Sengers added. Estimated uncertainty, except near ? the critical region, is 4-6% ? !``````````````````````````````````````````````````````````````````````````````` 177.83 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 8.85 !Maximum density [mol/L] 3 0 !# terms for dilute gas function: numerator, denominator 399.3 0.001 !Reducing parameters for T, tcx 1.355585870 0. !Coefficient, power in T -0.143662461021788 -1. !Coefficient, power in T 1. -96. !Coefficient, power in T 6 0 !# terms for background gas function: numerator, denominator 507.35 2.704 0.001 !Reducing parameters for T, rho, tcx 15.275017704 0. 1. 0. !Coefficient, powers of T, rho, exp(rho) 11.28962777920 0. 3. 0. -8.613698534970 0. 4. 0. 0.697714450907 -1. 4. 0. 2.1687378215 0. 5. 0. -0.326193379046 -1. 5. 0. TK3 !Pointer to critical enhancement auxiliary function @AUX !---Thermal conductivity critical enhancement model TK3 simplified thermal conductivity critical enhancement 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. Thermophysics, 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) [-] 1.0327e-9 !qd_inverse (modified effective cutoff parameter) [m]; estimated-not fitted to data 761.73 !Tref (reference temperature)=1.5*Tc [K]