805 lines
39 KiB
Plaintext
805 lines
39 KiB
Plaintext
Heptane !Short name
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142-82-5 !CAS number
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Heptane !Full name
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CH3-5(CH2)-CH3 !Chemical formula {C7H16}
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n-Heptane !Synonym
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100.202 !Molar mass [g/mol]
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182.55 !Triple point temperature [K]
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371.550 !Normal boiling point [K]
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540.2 !Critical temperature [K]
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2735.73 !Critical pressure [kPa]
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2.33 !Critical density [mol/L]
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0.349 !Acentric factor
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0.07 !Dipole moment [Debye]; (estimated value)
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NBP !Default reference state
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10.0 !Version number
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1206 !UN Number :UN:
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n-alkane !Family :Family:
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4853.43 !Heating value (upper) [kJ/mol] :Heat:
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1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 !Standard InChI String :InChi:
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IMNFDUFMRHMDMM-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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b398a3b0 !Hash number from InChI Key :Hash:
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!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
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! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
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! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
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! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
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! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
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! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
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! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
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! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
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! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
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! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
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! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
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! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
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! end of the fluid file is marked with @END. Anything below that is ignored.
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! compiled by E.W. Lemmon, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 04-02-98 EWL, Original version.
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! 11-09-98 EWL, Add equations of Span and of Polt et al.
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! 05-28-04 MLH, Add TK3.
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! 07-07-04 AHH, Update dipole moment.
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! 08-05-04 EWL, Add Harvey and Lemmon dielectric correlation.
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! 11-13-04 MLH, Add family.
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! 12-02-06 MLH, Update LJ for ECS.
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! 03-05-07 MLH, Add VS4 model.
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! 06-27-10 CKL, Add ancillary equations.
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! 04-11-12 MLH, Add extra blank FT coeff for consistent formatting.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 12-28-12 MLH, Add new TC model of Assael et al.(2013).
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! 02-04-14 MLH, Add new visc model of Michailidou et al. (2014).
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! 07-31-17 MT, Add final EOS of Tenji et al. (2017).
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for heptane of Tenji et al. (2018).
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: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)
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:DOI:
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Tenji, D., Thol, M., Lemmon, E.W. and Span, R.,
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? "Fundamental Equation of State for n-Heptane,"
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? to be submitted to Int. J. Thermophys., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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182.55 !Lower temperature limit [K]
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600.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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7.743 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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100.202 !Molar mass [g/mol]
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182.55 !Triple point temperature [K]
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0.00017426 !Pressure at triple point [kPa]
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7.743 !Density at triple point [mol/L]
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371.550 !Normal boiling point temperature [K]
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0.349 !Acentric factor
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540.2 2735.73 2.33 !Tc [K], pc [kPa], rhoc [mol/L]
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540.2 2.33 !Reducing parameters [K, mol/L]
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8.3144598 !gas constant [J/mol-K]
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10 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.04021974 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.417638 0.208 1. 0.
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-1.822198 0.87 1. 0.
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-0.8536007 1.036 2. 0.
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0.265174 0.574 3. 0.
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-1.968992 2.0 1. 2.
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-1.420553 2.26 3. 2.
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0.8501985 1.1 2. 1.
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-1.516957 1.87 2. 2.
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-0.02581013 0.985 7. 1.
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2.810547 0.73 1. 2. 2. -1.017 -1.41 1.35 0.9 0. 0. 0.
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-0.008215312 1.13 1. 2. 2. -5.3 -83.0 1.14 0.92 0. 0. 0.
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-0.8616429 1.23 3. 2. 2. -1.135 -1.54 1.04 0.52 0. 0. 0.
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-0.2926342 1.4 2. 2. 2. -1.227 -1.405 1.26 1.236 0. 0. 0.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for heptane of Tenji et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Tenji, D., Thol, M., Lemmon, E.W. and Span, R., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.3144598 !Reducing parameters for T, Cp0
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1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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11.36 190.0
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18.82 3800.0
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29.14 1500.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for heptane of Tenji et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Tenji, D., Thol, M., Lemmon, E.W. and Span, R., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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17.46311465657638 0.0 !aj, ti for [ai*tau**ti] terms
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-2.9932383994019123 1.0 !aj, ti for [ai*tau**ti] terms
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11.36 190.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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18.82 3800.0
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29.14 1500.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for heptane of Span and Wagner (2003).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Span, R. and Wagner, W.
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? "Equations of State for Technical Applications. II. Results for Nonpolar Fluids,"
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? Int. J. Thermophys., 24(1):41-109, 2003. doi: 10.1023/A:1022310214958
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?
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?The uncertainties of the equation of state are approximately 0.2% (to
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? 0.5% at high pressures) in density, 1% (in the vapor phase) to 2% in
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? heat capacity, 1% (in the vapor phase) to 2% in the speed of sound, and
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? 0.2% in vapor pressure, except in the critical region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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182.55 !Lower temperature limit [K]
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600.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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7.75 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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100.202 !Molar mass [g/mol]
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182.55 !Triple point temperature [K]
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0.00017549 !Pressure at triple point [kPa]
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7.7457 !Density at triple point [mol/L]
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371.529 !Normal boiling point temperature [K]
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0.349 !Acentric factor
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540.13 2736.0 2.315323 !Tc [K], pc [kPa], rhoc [mol/L]
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540.13 2.315323 !Reducing parameters [K, mol/L]
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8.31451 !Gas constant [J/mol-K]
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12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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1.0543748 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.6500682 1.125 1. 0.
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0.81730048 1.5 1. 0.
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-0.30451391 1.375 2. 0.
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0.12253869 0.25 3. 0.
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0.00027266473 0.875 7. 0.
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0.49865826 0.625 2. 1.
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-0.00071432815 1.75 5. 1.
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-0.54236896 3.625 1. 2.
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-0.13801822 3.625 4. 2.
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-0.0061595287 14.5 3. 3.
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0.0004860251 12.0 4. 3.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for heptane of Span and Wagner (2003).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Jaeschke, M. and Schley, P.
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? "Ideal-Gas Thermodynamic Properties for Natural-Gas Applications,"
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? Int. J. Thermophys., 16(6):1381-1392, 1995. doi: 10.1007/BF02083547
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.31451 !Reducing parameters for T, Cp0
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1 0 1 2 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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21305790.0 -2.0 836.195 -1.0 -2.0
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395714.6 -2.0 169.789 -1.0 -2.0
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134989900.0 -2.0 1760.46 -1.0 -2.0
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@EOS !---Equation of state---
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FEK !Helmholtz equation of state for heptane of Kunz and Wagner (2004).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M.
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? "The GERG-2004 Wide-Range Equation of State for Natural Gases
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? and Other Mixtures," GERG Technical Monograph 15,
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? Fortschritt-Berichte VDI, VDI-Verlag, Düsseldorf, 2007.
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?
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!```````````````````````````````````````````````````````````````````````````````
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182.55 !Lower temperature limit [K]
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600.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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7.75 !Maximum density [mol/L]
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PHK !Pointer to Cp0 model
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100.20194 !Molar mass [g/mol]
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182.55 !Triple point temperature [K]
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0.0001755 !Pressure at triple point [kPa]
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7.746 !Density at triple point [mol/L]
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371.53 !Normal boiling point temperature [K]
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0.3554 !Acentric factor
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540.13 2773.8 2.315324434 !Tc [K], pc [kPa], rhoc [mol/L]
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540.13 2.315324434 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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1.0543747645262 0.25 1. 0.
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-2.6500681506144 1.125 1. 0.
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0.81730047827543 1.5 1. 0.
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-0.30451391253428 1.375 2. 0.
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0.122538687108 0.25 3. 0.
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0.00027266472743928 0.875 7. 0.
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0.49865825681670 0.625 2. 1.
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-0.00071432815084176 1.75 5. 1.
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-0.54236895525450 3.625 1. 2.
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-0.13801821610756 3.625 4. 2.
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-0.0061595287380011 14.5 3. 3.
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0.00048602510393022 12.0 4. 3.
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@AUX !---Auxiliary function for PH0
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PHK !Ideal gas Helmholtz form for heptane of Kunz and Wagner (2004).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1 2 0 1 2 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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15.063786601 0.0 !aj, ti for [ai*tau**ti] terms
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-97.345252349 1.0
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-30.4707 1.54813656 !aj, ti for cosh and sinh terms
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13.7266 0.314348398
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43.5561 3.259326458
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@EOS !---Equation of state---
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FE3 !Helmholtz equation of state for heptane of Polt et al. (1992).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Polt, A., Platzer, B., and Maurer, G.,
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? "Parameter der thermischen Zustandsgleichung von Bender fuer 14
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? mehratomige reine Stoffe,"
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? Chem. Tech. (Leipzig), 44(6):216-224, 1992.
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?
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!```````````````````````````````````````````````````````````````````````````````
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273.0 !Lower temperature limit [K]
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500.0 !Upper temperature limit [K]
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510000.0 !Upper pressure limit [kPa]
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7.3348901 !Maximum density [mol/L]
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CP3 !Pointer to Cp0 model
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100.206 !Molar mass [g/mol]
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182.55 !Triple point temperature [K]
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0.00017549 !Pressure at triple point [kPa]
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7.7457 !Density at triple point [mol/L]
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371.580 !Normal boiling point temperature [K]
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0.3467 !Acentric factor
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540.16 2717.0 2.345169 !Tc [K], pc [kPa], rhoc [mol/L]
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540.16 2.345169 !Reducing parameters [K, mol/L]
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8.3143 !Gas constant [J/mol-K]
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22 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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-0.520305381020 3. 0. 0. !a(i),t(i),d(i),l(i)
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0.338196304523 4. 0. 0.
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-0.00491117643215 5. 0. 0.
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0.200594802481 0. 1. 0.
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-0.0260824422526 1. 1. 0.
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-1.91516844204 2. 1. 0.
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0.364407895089 3. 1. 0.
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-0.142523250539 4. 1. 0.
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-0.160069782510 0. 2. 0.
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0.578283584822 1. 2. 0.
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0.476898816887 2. 2. 0.
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0.0937511885529 0. 3. 0.
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-0.442185898133 1. 3. 0.
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0.0553661375084 0. 4. 0.
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-0.0303420126133 1. 4. 0.
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0.0138649129298 1. 5. 0.
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0.520305381020 3. 0. 2.
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-0.338196304523 4. 0. 2.
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0.00491117643215 5. 0. 2.
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2.56518106995 3. 2. 2.
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-5.28051955217 4. 2. 2.
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2.66827442122 5. 2. 2.
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@AUX !---Auxiliary function for Cp0
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CP3 !Ideal gas heat capacity function for heptane.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Polt, A., Platzer, B., and Maurer, G.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.3143 !Reducing parameters for T, Cp0
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5 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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1.157528 0.0
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0.070489617 1.0
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-0.000023419686 2.0
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-0.14768221e-8 3.0
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-0.20117611e-11 4.0
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@EOS !---Equation of state---
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FE4 !Helmholtz equation of state for heptane of Starling (1973).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Starling, K.E.,
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? "Fluid Thermodynamic Properties for Light Petroleum Systems,"
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? Gulf Publishing Company, 1973.
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?
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!```````````````````````````````````````````````````````````````````````````````
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255.37 !Lower temperature limit [K]
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644.0 !Upper temperature limit [K]
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55000.0 !Upper pressure limit [kPa]
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7.2015722 !Maximum density [mol/L]
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CP4 !Pointer to Cp0 model
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100.198 !Molar mass [g/mol]
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182.55 !Triple point temperature [K]
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0.00017549 !Pressure at triple point [kPa]
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7.7457 !Density at triple point [mol/L]
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371.561 !Normal boiling point temperature [K]
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0.35 !Acentric factor
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540.15 2736.0 2.3167737 !Tc [K], pc [kPa], rhoc [mol/L]
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540.15 2.3167737 !Reducing parameters [K, mol/L]
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8.3159524 !Gas constant [J/mol-K]
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13 5 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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1.53471579811 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
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0.521386289098 0. 1. 0. 0.
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-1.07860953728 1. 1. 0. 0.
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-0.902616154206 3. 1. 0. 0.
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0.117182735038 4. 1. 0. 0.
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-0.986768914864e-4 5. 1. 0. 0.
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0.287014205217 0. 2. 0. 0.
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-0.359887681359 1. 2. 0. 0.
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-0.00860848441514 2. 2. 0. 0.
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0.00952855119365 1. 5. 0. 0.
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0.000227922178775 2. 5. 0. 0.
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-1.53471579811 3. 0. 2. 0.51794447
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-0.397448776976 3. 2. 2. 0.51794447
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@AUX !---Auxiliary function for Cp0
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CP4 !Ideal gas heat capacity function for heptane.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Starling, K.E.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 4.184 !Reducing parameters for T, Cp0
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|
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
|
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400.0 0.001 !Reducing parameters for T, tcx
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1.35558587 0. !Coefficient, power in T
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-0.152682526035 -1. !Coefficient, power in T
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1. -96. !Coefficient, power in T
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6 0 !# terms for background gas function: numerator, denominator
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540.15 2.315 0.001 !Reducing parameters for T, rho, tcx
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15.900635275 0. 1. 0. !Coefficient, powers of T, rho, exp(rho)
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3.963186678030 0. 3. 0.
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-1.723361499460 0. 4. 0.
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0.437228619593 -1. 4. 0.
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0.490514843565 0. 5. 0.
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-0.163256898944 -1. 5. 0.
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TK3 !Pointer to critical enhancement auxiliary function
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