833 lines
40 KiB
Plaintext
833 lines
40 KiB
Plaintext
Hexane !Short name
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110-54-3 !CAS number
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Hexane !Full name
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CH3-4(CH2)-CH3 !Chemical formula {C6H14}
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n-Hexane !Synonym
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86.17536 !Molar mass [g/mol]
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177.83 !Triple point temperature [K]
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341.866 !Normal boiling point [K]
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507.82 !Critical temperature [K]
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3044.1 !Critical pressure [kPa]
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2.706 !Critical density [mol/L]
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0.30 !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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1208 !UN Number :UN:
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n-alkane !Family :Family:
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4194.95 !Heating value (upper) [kJ/mol] :Heat:
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1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 !Standard InChI String :InChi:
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VLKZOEOYAKHREP-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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cb03ba40 !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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! 08-05-04 EWL, Add Harvey and Lemmon dielectric correlation.
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! 03-05-07 MLH, Add VS4 model.
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! 04-11-12 MLH, Add extra blank FT coeff for consistent formatting.
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! 09-05-12 MLH, Add new thermal conductivity formulation of Assael et al. (2013).
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 08-02-13 MLH, Add sr hexane viscosity model of Michailidou et al. (2013).
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! 02-28-17 MT, Add new EOS of Thol 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 hexane of Thol et al. (2018).
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: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)
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:DOI:
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Wang, Y., Lemmon, E.W., and Span, R.,
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? "Fundamental Equations of State for Hydrocarbons. Part II. n-Hexane,"
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? to be published, 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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177.83 !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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8.81 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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86.17536 !Molar mass [g/mol]
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177.83 !Triple point temperature [K]
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0.001189 !Pressure at triple point [kPa]
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8.80 !Density at triple point [mol/L]
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341.866 !Normal boiling point temperature [K]
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0.30 !Acentric factor
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507.82 3044.1 2.706 !Tc [K], pc [kPa], rhoc [mol/L]
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507.82 2.706 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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10 4 5 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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0.0446249 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.740621 0.303 1. 0.
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-2.050688 0.845 1. 0.
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-0.7724346 1.055 2. 0.
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0.2116422 0.523 3. 0.
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-3.187864 1.48 1. 2.
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-1.134719 2.06 3. 2.
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0.6817086 1.19 2. 1.
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-1.111314 1.883 2. 2.
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-0.02377251 0.98 7. 1.
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3.744662 0.94 1. 2. 2. -0.864 -0.7 1.21 0.767 0. 0. 0.
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-0.4322223 1.47 3. 2. 2. -1.094 -0.52 1.13 0.707 0. 0. 0.
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-0.8054799 1.11 2. 2. 2. -0.751 -0.69 1.0 0.692 0. 0. 0.
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-1.055577 0.895 2. 2. 2. -1.062 -0.88 0.82 0.46 0. 0. 0.
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-0.02932639 1.73 1. 2. 2. -6.6 -180. 1.14 0.92 0. 0. 0.
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eta beta gamma epsilon
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EXP[eta*(delta-epsilon)^2+beta*(tau-gamma)^2]
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for hexane of Thol et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Wang, Y., 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 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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9.21 190.0
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6.04 3000.0
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25.3 1500.0
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10.96 4500.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for hexane of Thol et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Wang, Y., Lemmon, E.W., and Span, R., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 4 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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12.3137913581698513 0.0 !aj, ti for [ai*tau**ti] terms
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-1.3163412546284243 1.0 !aj, ti for [ai*tau**ti] terms
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9.21 190.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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6.04 3000.0
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25.3 1500.0
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10.96 4500.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FEK !Helmholtz equation of state for hexane 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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177.83 !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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8.85 !Maximum density [mol/L]
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PHK !Pointer to Cp0 model
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86.17536 !Molar mass [g/mol]
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177.83 !Triple point temperature [K]
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0.001277 !Pressure at triple point [kPa]
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8.839 !Density at triple point [mol/L]
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341.86 !Normal boiling point temperature [K]
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0.30 !Acentric factor
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507.82 3041.7 2.705877875 !Tc [K], pc [kPa], rhoc [mol/L]
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507.82 2.705877875 !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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1.0553238013661 0.25 1. 0.
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-2.6120615890629 1.125 1. 0.
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0.7661388296726 1.5 1. 0.
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-0.29770320622459 1.375 2. 0.
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0.11879907733358 0.250 3. 0.
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0.00027922861062617 0.875 7. 0.
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0.46347589844105 0.625 2. 1.
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0.011433196980297 1.75 5. 1.
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-0.48256968738131 3.625 1. 2.
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-0.093750558924659 3.625 4. 2.
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-0.0067273247155994 14.5 3. 3.
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-0.0051141583585428 12.0 4. 3.
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@AUX !---Auxiliary function for PH0
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PHK !Ideal gas Helmholtz form for hexane 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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14.345969349 0.0 !aj, ti for [ai*tau**ti] terms
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-96.165722367 1.0
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-26.8142 1.691951873 !aj, ti for cosh and sinh terms
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11.6977 0.359036667
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38.6164 3.596924107
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for hexane 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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177.83 !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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8.85 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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86.17536 !Molar mass [g/mol]
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177.83 !Triple point temperature [K]
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0.001277 !Pressure at triple point [kPa]
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8.8394 !Density at triple point [mol/L]
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341.865 !Normal boiling point temperature [K]
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0.299 !Acentric factor
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507.82 3034.0 2.7058779 !Tc [K], pc [kPa], rhoc [mol/L]
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507.82 2.7058779 !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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1.0553238 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.6120616 1.125 1. 0.
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0.76613883 1.5 1. 0.
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-0.29770321 1.375 2. 0.
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0.11879908 0.25 3. 0.
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0.00027922861 0.875 7. 0.
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0.46347590 0.625 2. 1.
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0.011433197 1.75 5. 1.
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-0.48256969 3.625 1. 2.
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-0.093750559 3.625 4. 2.
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-0.0067273247 14.5 3. 3.
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-0.0051141584 12.0 4. 3.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for hexane.
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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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19795230.0 -2.0 0859.207 -1.0 -2.0
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388864.0 -2.0 182.326 -1.0 -2.0
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128841000.0 -2.0 1826.59 -1.0 -2.0
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@EOS !---Equation of state---
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FE2 !Helmholtz equation of state for hexane 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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223.0 !Lower temperature limit [K]
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623.0 !Upper temperature limit [K]
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510000.0 !Upper pressure limit [kPa]
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8.726125 !Maximum density [mol/L]
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CP2 !Pointer to Cp0 model
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86.178 !Molar mass [g/mol]
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177.83 !Triple point temperature [K]
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0.001277 !Pressure at triple point [kPa]
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8.8394 !Density at triple point [mol/L]
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341.896 !Normal boiling point temperature [K]
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0.3036 !Acentric factor
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507.85 3063.0 2.7153102 !Tc [K], pc [kPa], rhoc [mol/L]
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507.85 2.7153102 !Reducing parameters [K, mol/L]
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8.3143 !Gas constant [J/mol-K]
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22 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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-1.57654494847 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
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1.78731485778 4. 0. 0. 0.
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-0.341262936801 5. 0. 0. 0.
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1.1491946826 0. 1. 0. 0.
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-3.81451065649 1. 1. 0. 0.
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3.56688884337 2. 1. 0. 0.
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-2.74863278063 3. 1. 0. 0.
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0.391987699726 4. 1. 0. 0.
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0.346062554746 0. 2. 0. 0.
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-0.139140552239 1. 2. 0. 0.
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0.489013943543 2. 2. 0. 0.
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-0.0529751545354 0. 3. 0. 0.
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-0.149303737787 1. 3. 0. 0.
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0.0455990262306 0. 4. 0. 0.
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-0.0564866336099 1. 4. 0. 0.
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0.0152437539639 1. 5. 0. 0.
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1.57654494847 3. 0. 2. 1.00773692
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-1.78731485778 4. 0. 2. 1.00773692
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0.341262936801 5. 0. 2. 1.00773692
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0.139479099785 3. 2. 2. 1.00773692
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0.5076238131 4. 2. 2. 1.00773692
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-0.655600474113 5. 2. 2. 1.00773692
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@AUX !---Auxiliary function for Cp0
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CP2 !Ideal gas heat capacity function for hexane.
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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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2.5200507 0.0
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0.05280653 1.0
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-0.0000057861557 2.0
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-0.1089904e-7 3.0
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-0.18988742e-12 4.0
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@EOS !---Equation of state---
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FE3 !Helmholtz equation of state for hexane 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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222.04 !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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8.6724844 !Maximum density [mol/L]
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CP3 !Pointer to Cp0 model
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86.172 !Molar mass [g/mol]
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177.83 !Triple point temperature [K]
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0.001277 !Pressure at triple point [kPa]
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8.8394 !Density at triple point [mol/L]
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342.431 !Normal boiling point temperature [K]
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0.312 !Acentric factor
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507.85 3058.0 2.7159228 !Tc [K], pc [kPa], rhoc [mol/L]
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507.85 2.7159228 !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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2.61128818398 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
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0.45139678077 0. 1. 0. 0.
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-0.783362300734 1. 1. 0. 0.
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-1.08785843809 3. 1. 0. 0.
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0.124906986929 4. 1. 0. 0.
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-0.0155020819852 5. 1. 0. 0.
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0.42399441457 0. 2. 0. 0.
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-0.636532521368 1. 2. 0. 0.
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-0.0524764104726 2. 2. 0. 0.
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0.0120405133154 1. 5. 0. 0.
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0.000992632580157 2. 5. 0. 0.
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-2.61128818398 3. 0. 2. 0.42752599
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-0.558196781075 3. 2. 2. 0.42752599
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@AUX !---Auxiliary function for Cp0
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CP3 !Ideal gas heat capacity function for hexane.
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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. !
|
|
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]
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|
100000.0 !Upper pressure limit [kPa]
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|
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]
|