Heptane !Short name 142-82-5 !CAS number Heptane !Full name CH3-5(CH2)-CH3 !Chemical formula {C7H16} n-Heptane !Synonym 100.202 !Molar mass [g/mol] 182.55 !Triple point temperature [K] 371.550 !Normal boiling point [K] 540.2 !Critical temperature [K] 2735.73 !Critical pressure [kPa] 2.33 !Critical density [mol/L] 0.349 !Acentric factor 0.07 !Dipole moment [Debye]; (estimated value) NBP !Default reference state 10.0 !Version number 1206 !UN Number :UN: n-alkane !Family :Family: 4853.43 !Heating value (upper) [kJ/mol] :Heat: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 !Standard InChI String :InChi: IMNFDUFMRHMDMM-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: b398a3b0 !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. ! 07-07-04 AHH, Update dipole moment. ! 08-05-04 EWL, Add Harvey and Lemmon dielectric correlation. ! 11-13-04 MLH, Add family. ! 12-02-06 MLH, Update LJ for ECS. ! 03-05-07 MLH, Add VS4 model. ! 06-27-10 CKL, Add ancillary equations. ! 04-11-12 MLH, Add extra blank FT coeff for consistent formatting. ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ! 12-28-12 MLH, Add new TC model of Assael et al.(2013). ! 02-04-14 MLH, Add new visc model of Michailidou et al. (2014). ! 07-31-17 MT, Add final EOS of Tenji et al. (2017). ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for heptane of Tenji et al. (2018). :TRUECRITICALPOINT: 540.2 2.33 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Tenji, D., Thol, M., Lemmon, E.W. and Span, R., ? "Fundamental Equation of State for n-Heptane," ? to be submitted to Int. J. Thermophys., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 182.55 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 7.743 !Maximum density [mol/L] CPP !Pointer to Cp0 model 100.202 !Molar mass [g/mol] 182.55 !Triple point temperature [K] 0.00017426 !Pressure at triple point [kPa] 7.743 !Density at triple point [mol/L] 371.550 !Normal boiling point temperature [K] 0.349 !Acentric factor 540.2 2735.73 2.33 !Tc [K], pc [kPa], rhoc [mol/L] 540.2 2.33 !Reducing parameters [K, mol/L] 8.3144598 !gas constant [J/mol-K] 10 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.04021974 1.0 4. 0. !a(i),t(i),d(i),l(i) 1.417638 0.208 1. 0. -1.822198 0.87 1. 0. -0.8536007 1.036 2. 0. 0.265174 0.574 3. 0. -1.968992 2.0 1. 2. -1.420553 2.26 3. 2. 0.8501985 1.1 2. 1. -1.516957 1.87 2. 2. -0.02581013 0.985 7. 1. 2.810547 0.73 1. 2. 2. -1.017 -1.41 1.35 0.9 0. 0. 0. -0.008215312 1.13 1. 2. 2. -5.3 -83.0 1.14 0.92 0. 0. 0. -0.8616429 1.23 3. 2. 2. -1.135 -1.54 1.04 0.52 0. 0. 0. -0.2926342 1.4 2. 2. 2. -1.227 -1.405 1.26 1.236 0. 0. 0. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for heptane of Tenji et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Tenji, D., Thol, M., Lemmon, E.W. and Span, R., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3144598 !Reducing parameters for T, Cp0 1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.0 0.0 11.36 190.0 18.82 3800.0 29.14 1500.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for heptane of Tenji et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Tenji, D., Thol, M., Lemmon, E.W. and Span, R., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 3 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 17.46311465657638 0.0 !aj, ti for [ai*tau**ti] terms -2.9932383994019123 1.0 !aj, ti for [ai*tau**ti] terms 11.36 190.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 18.82 3800.0 29.14 1500.0 -------------------------------------------------------------------------------- @EOS !---Equation of state--- FE1 !Helmholtz equation of state for heptane 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. ? !``````````````````````````````````````````````````````````````````````````````` 182.55 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 7.75 !Maximum density [mol/L] CP1 !Pointer to Cp0 model 100.202 !Molar mass [g/mol] 182.55 !Triple point temperature [K] 0.00017549 !Pressure at triple point [kPa] 7.7457 !Density at triple point [mol/L] 371.529 !Normal boiling point temperature [K] 0.349 !Acentric factor 540.13 2736.0 2.315323 !Tc [K], pc [kPa], rhoc [mol/L] 540.13 2.315323 !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 1.0543748 0.25 1. 0. !a(i),t(i),d(i),l(i) -2.6500682 1.125 1. 0. 0.81730048 1.5 1. 0. -0.30451391 1.375 2. 0. 0.12253869 0.25 3. 0. 0.00027266473 0.875 7. 0. 0.49865826 0.625 2. 1. -0.00071432815 1.75 5. 1. -0.54236896 3.625 1. 2. -0.13801822 3.625 4. 2. -0.0061595287 14.5 3. 3. 0.0004860251 12.0 4. 3. @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for heptane of Span and Wagner (2003). ? ?``````````````````````````````````````````````````````````````````````````````` ?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 21305790.0 -2.0 836.195 -1.0 -2.0 395714.6 -2.0 169.789 -1.0 -2.0 134989900.0 -2.0 1760.46 -1.0 -2.0 @EOS !---Equation of state--- FEK !Helmholtz equation of state for heptane 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. ? !``````````````````````````````````````````````````````````````````````````````` 182.55 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 7.75 !Maximum density [mol/L] PHK !Pointer to Cp0 model 100.20194 !Molar mass [g/mol] 182.55 !Triple point temperature [K] 0.0001755 !Pressure at triple point [kPa] 7.746 !Density at triple point [mol/L] 371.53 !Normal boiling point temperature [K] 0.3554 !Acentric factor 540.13 2773.8 2.315324434 !Tc [K], pc [kPa], rhoc [mol/L] 540.13 2.315324434 !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 1.0543747645262 0.25 1. 0. -2.6500681506144 1.125 1. 0. 0.81730047827543 1.5 1. 0. -0.30451391253428 1.375 2. 0. 0.122538687108 0.25 3. 0. 0.00027266472743928 0.875 7. 0. 0.49865825681670 0.625 2. 1. -0.00071432815084176 1.75 5. 1. -0.54236895525450 3.625 1. 2. -0.13801821610756 3.625 4. 2. -0.0061595287380011 14.5 3. 3. 0.00048602510393022 12.0 4. 3. @AUX !---Auxiliary function for PH0 PHK !Ideal gas Helmholtz form for heptane 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 15.063786601 0.0 !aj, ti for [ai*tau**ti] terms -97.345252349 1.0 -30.4707 1.54813656 !aj, ti for cosh and sinh terms 13.7266 0.314348398 43.5561 3.259326458 @EOS !---Equation of state--- FE3 !Helmholtz equation of state for heptane 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. ? !``````````````````````````````````````````````````````````````````````````````` 273.0 !Lower temperature limit [K] 500.0 !Upper temperature limit [K] 510000.0 !Upper pressure limit [kPa] 7.3348901 !Maximum density [mol/L] CP3 !Pointer to Cp0 model 100.206 !Molar mass [g/mol] 182.55 !Triple point temperature [K] 0.00017549 !Pressure at triple point [kPa] 7.7457 !Density at triple point [mol/L] 371.580 !Normal boiling point temperature [K] 0.3467 !Acentric factor 540.16 2717.0 2.345169 !Tc [K], pc [kPa], rhoc [mol/L] 540.16 2.345169 !Reducing parameters [K, mol/L] 8.3143 !Gas constant [J/mol-K] 22 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms -0.520305381020 3. 0. 0. !a(i),t(i),d(i),l(i) 0.338196304523 4. 0. 0. -0.00491117643215 5. 0. 0. 0.200594802481 0. 1. 0. -0.0260824422526 1. 1. 0. -1.91516844204 2. 1. 0. 0.364407895089 3. 1. 0. -0.142523250539 4. 1. 0. -0.160069782510 0. 2. 0. 0.578283584822 1. 2. 0. 0.476898816887 2. 2. 0. 0.0937511885529 0. 3. 0. -0.442185898133 1. 3. 0. 0.0553661375084 0. 4. 0. -0.0303420126133 1. 4. 0. 0.0138649129298 1. 5. 0. 0.520305381020 3. 0. 2. -0.338196304523 4. 0. 2. 0.00491117643215 5. 0. 2. 2.56518106995 3. 2. 2. -5.28051955217 4. 2. 2. 2.66827442122 5. 2. 2. @AUX !---Auxiliary function for Cp0 CP3 !Ideal gas heat capacity function for heptane. ? ?``````````````````````````````````````````````````````````````````````````````` ?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 1.157528 0.0 0.070489617 1.0 -0.000023419686 2.0 -0.14768221e-8 3.0 -0.20117611e-11 4.0 @EOS !---Equation of state--- FE4 !Helmholtz equation of state for heptane of Starling (1973). ? ?``````````````````````````````````````````````````````````````````````````````` ?Starling, K.E., ? "Fluid Thermodynamic Properties for Light Petroleum Systems," ? Gulf Publishing Company, 1973. ? !``````````````````````````````````````````````````````````````````````````````` 255.37 !Lower temperature limit [K] 644.0 !Upper temperature limit [K] 55000.0 !Upper pressure limit [kPa] 7.2015722 !Maximum density [mol/L] CP4 !Pointer to Cp0 model 100.198 !Molar mass [g/mol] 182.55 !Triple point temperature [K] 0.00017549 !Pressure at triple point [kPa] 7.7457 !Density at triple point [mol/L] 371.561 !Normal boiling point temperature [K] 0.35 !Acentric factor 540.15 2736.0 2.3167737 !Tc [K], pc [kPa], rhoc [mol/L] 540.15 2.3167737 !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 1.53471579811 3. 0. 0. 0. !a(i),t(i),d(i),l(i) 0.521386289098 0. 1. 0. 0. -1.07860953728 1. 1. 0. 0. -0.902616154206 3. 1. 0. 0. 0.117182735038 4. 1. 0. 0. -0.986768914864e-4 5. 1. 0. 0. 0.287014205217 0. 2. 0. 0. -0.359887681359 1. 2. 0. 0. -0.00860848441514 2. 2. 0. 0. 0.00952855119365 1. 5. 0. 0. 0.000227922178775 2. 5. 0. 0. -1.53471579811 3. 0. 2. 0.51794447 -0.397448776976 3. 2. 2. 0.51794447 @AUX !---Auxiliary function for Cp0 CP4 !Ideal gas heat capacity function for heptane. ? ?``````````````````````````````````````````````````````````````````````````````` ?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 30.4029 0.0 39046536.0 -2.0 786.001 -1.0 -2.0 252730830.0 -2.0 1669.32 -1.0 -2.0 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ #ETA !---Viscosity--- VS1 !Pure fluid viscosity model for heptane of Michailidou et al. (2014). :DOI: 10.1063/1.4875930 ? ?``````````````````````````````````````````````````````````````````````````````` ?Michailidou, E.K., Assael, M.J., Huber, M.L., Abdulagatov, I.M., and Perkins, R.A., ? "Reference Correlation of the Viscosity of n-Heptane from the Triple Point to 600 K and up to 248 MPa," ? J. Phys. Chem. Ref. Data, 43(2), 023103, 2014. ? doi: 10.1063/1.4875930 ? ?The estimated uncertainty at a 95% confidence level is 3.5% over the whole range ? (with the exception of the near-critical region). Along the saturated liquid ? curve, the estimated uncertainty is 1% below 292 K, 0.6% in the region from ? 292 to 346 K, rising to 2% between 346 and 363 K, and 0.3% for for ? low-density gas at temperatures from 317 to 600 K and pressures to 0.3 MPa. ? !``````````````````````````````````````````````````````````````````````````````` 182.55 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 7.75 !Maximum density [mol/L] 1 !Number of terms associated with dilute-gas function CI1 !Pointer to reduced effective collision cross-section model 0.61362 !Lennard-Jones coefficient sigma [nm] 426.118 !Lennard-Jones coefficient epsilon/kappa [K] 1.0 1.0 !Reducing parameters for T, eta 0.2137856 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term] 9 !Number of terms for initial density dependence 426.118 0.13913909 !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 9 5 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential 540.13 2.3153 1.0 !Reducing parameters for T, rho, eta (correlation in terms of uPa-s) 293.3471335 0.5 1.6666666667 0. 0 !Coefficient, power of tau, del n1 -286.5498741 0.5 2.6666666667 0. 0 !Coefficient, power of tau, del n2 153.5085223 0.5 3.6666666667 0. 0 !Coefficient, power of tau, del n3 -38.58307501 0.5 4.6666666667 0. 0 !Coefficient, power of tau, del n4 3.71791 0.5 5.6666666667 0. 0 !Coefficient, power of tau, del n5 210.84585 1.5 1.6666666667 0. 0 !Coefficient, power of tau, del n6 -198.6656588 1.5 2.6666666667 0. 0 !Coefficient, power of tau, del n7 73.1990514 1.5 3.6666666667 0. 0 !Coefficient, power of tau, del n8 -9.3657499 1.5 4.6666666667 0. 0 !Coefficient, power of tau, del n9 9.73449 0.0 0. 0. 0 !Coefficient, power of tau, del d1 -6.34076 0.0 1. 0. 0 !Coefficient, power of tau, del d2 1.0 0.0 2. 0. 0 !Coefficient, power of tau, del d3 9.519 1.0 0. 0. 0 !Coefficient, power of tau, del d4 -2.51909 1.0 1. 0. 0 !Coefficient, power of tau, del d5 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 heptane. ? ?``````````````````````````````````````````````````````````````````````````````` ?Michailidou, E.K., Assael, M.J., Huber, M.L., Abdulagatov, I., and Perkins, R.A., 2014. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 4 !Number of terms 0.33974 0 !Coefficient, power of Tstar -0.49396 1 0.0 2 0.08050 3 ================================================================================ #TCX !---Thermal conductivity--- TC1 !Pure fluid thermal conductivity model for heptane of Assael et al. (2013). :DOI: 10.1063/1.4794091 ? ?``````````````````````````````````````````````````````````````````````````````` ?Assael, M.J., Bogdanou, I., Mylona, S.K., Huber, M.L., Perkins, R.A., and Vesovic, V., ? "Reference Correlation of the Thermal Conductivity of n-Heptane ? from the Triple Point to 600 K and up to 250 MPa," ? J. Phys. Chem. Ref. Data, 42(2), 023101, 2013. ? ?The overall uncertainty, for pressures less than 250 MPa and ? temperatures less than 600 K, is estimated to be less than 4%. Larger uncertainties ? in the critical region. ? !``````````````````````````````````````````````````````````````````````````````` 182.55 !Lower temperature limit [K] 600. !Upper temperature limit [K] 500000.0 !Upper pressure limit [kPa] 8.50 !Maximum density [mol/L] 6 3 !# terms for dilute gas function: numerator, denominator 540.13 0.001 !Reducing parameters for T, tcx -1.83367 0. 16.2572 1. -39.0996 2. 47.8594 3. 15.1925 4. -3.39115 5. 0.250611 0. -0.320871 1. 1.0 2. 10 0 !# terms for background gas function: numerator, denominator 540.13 2.3153 1. !Reducing parameters for T, rho, tcx 0.0517785 0. 1. 0. -0.0924052 0. 2. 0. 0.0511484 0. 3. 0. -0.00776896 0. 4. 0. 0.000121637 0. 5. 0. -0.00772433 1. 1. 0. 0.0218899 1. 2. 0. 0.00171725 1. 3. 0. -0.00791642 1. 4. 0. 0.00183379 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 heptane 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) 0.245e-9 !Xi0 (amplitude) [m] 0.0586 !Gam0 (amplitude) [-] 0.8e-9 !Qd_inverse (modified effective cutoff parameter) [m]; estimated-not fitted to data 810.2 !Tref (reference temperature)=1.5*Tc [K] ******************************************************************************** @ETA !---Viscosity--- VS2 !Pure fluid viscosity model from NIST14 for heptane. ? ?``````````````````````````````````````````````````````````````````````````````` ?Coefficients are taken from NIST14, Version 9.08 ? ?Estimated uncertainty is 2 %. ? !``````````````````````````````````````````````````````````````````````````````` 182.55 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 7.75 !Maximum density [mol/L] CI0 !Pointer to collision integral model 0.64947 !Lennard-Jones coefficient sigma [nm] 400.0 !Lennard-Jones coefficient epsilon/kappa [K] 0.26718615 !Const 0.5 !Exponent for T 0.0 !Coefficient for initial density dependence of viscosity 0.0 0.0 100.0 -17.168627495994 !Coefficients for residual viscosity 3387.5906558 16.943704644 -54960.940794 -0.24749641622 163.37738185 46932.568528 2.315 NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) @ETA !---Viscosity--- VS4 !Pure fluid generalized friction theory viscosity model for heptane 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 ? !``````````````````````````````````````````````````````````````````````````````` 182.55 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 7.75 !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 0.64947 !Lennard-Jones coefficient sigma [nm] (not used) 400.0 !Lennard-Jones coefficient epsilon/kappa [K] (not used) 540.13 1.0 !Reducing parameters for T, eta 0.0 0.5 !Chapman-Enskog term; not used here 19.6036 0.0 !Empirical terms for eta0 -59.7839 0.25 50.7528 0.50 0 !Number of terms for initial density dependence 3.7629712015208e-5 0.0 -4.40242197269552e-5 0. 0. ! a(0),a(1),a(2) 1.38067766234763e-4 0.0 -9.11095867363485e-5 0. 0. ! b(0),b(1),b(2) 9.93870811e-5 -6.3653278e-6 0.0 0. 0. ! c(0),c(1),c(2) -3.76786095828018e-9 1.92499718242368e-9 0.0 0. 0. ! A(0),A(1),A(2) 0.0 9.75462662440927e-9 2.7187366682566e-9 0. 0. ! B(0),B(1),B(2) -1.24466129111157e-6 8.83260990875321e-7 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 heptane. ? ?``````````````````````````````````````````````````````````````````````````````` ?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 estimated. ? !``````````````````````````````````````````````````````````````````````````````` 182.55 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 7.75 !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) 0.64947 !Lennard-Jones coefficient sigma [nm] 400.0 !Lennard-Jones coefficient epsilon/kappa [K] 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 heptane 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 540.13 !Critical temperature used in fit (dummy) 0.07765 1.319 !Sigma0 and n -0.02599 1.6 #DE !---Dielectric constant--- DE3 !Dielectric constant model for heptane 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 34.96 0. 1. 0. 0.035 1. 1. 0. 162.24 0. 2. 0. 308.90 1. 2. 0. -37446.0 0. 3. 0. -39684.0 1. 3. 0. #PS !---Vapor pressure--- PS5 !Vapor pressure equation for heptane of Tenji et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Tenji, D., Thol, M., 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. ! 540.2 2736.0 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -7.782 1.0 !Coefficients and exponents 1.936 1.5 -2.177 2.3 -3.800 4.3 -114.4 27.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for Tenji et al. (2018) ? ?``````````````````````````````````````````````````````````````````````````````` ?Tenji, D., Thol, M., 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. ! 540.2 2.33 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 2.283 0.361 !Coefficients and exponents 0.958 1.4 -1.322 2.3 1.600 3.3 -0.520 4.5 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for heptane of Tenji et al. (2018) ? ?``````````````````````````````````````````````````````````````````````````````` ?Tenji, D., Thol, M., 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. ! 540.2 2.33 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -3.351 0.413 !Coefficients and exponents -55.51 6.4 -6.71 1.25 -19.881 3.1 -2.3 8.4 -135.0 14.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890 @TCX !Thermal conductivity model specification TC1 pure fluid thermal conductivity model from NIST14. ? ?``````````````````````````````````````````````````````````````````````````````` ?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% ? !``````````````````````````````````````````````````````````````````````````````` 182.55 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 7.75 !Maximum density [mol/L] 3 0 !# terms for dilute gas function: numerator, denominator 400.0 0.001 !Reducing parameters for T, tcx 1.35558587 0. !Coefficient, power in T -0.152682526035 -1. !Coefficient, power in T 1. -96. !Coefficient, power in T 6 0 !# terms for background gas function: numerator, denominator 540.15 2.315 0.001 !Reducing parameters for T, rho, tcx 15.900635275 0. 1. 0. !Coefficient, powers of T, rho, exp(rho) 3.963186678030 0. 3. 0. -1.723361499460 0. 4. 0. 0.437228619593 -1. 4. 0. 0.490514843565 0. 5. 0. -0.163256898944 -1. 5. 0. TK3 !Pointer to critical enhancement auxiliary function