823 lines
40 KiB
Plaintext
823 lines
40 KiB
Plaintext
Pentane !Short name
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109-66-0 !CAS number
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Pentane !Full name
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CH3-3(CH2)-CH3 !Chemical formula {C5H12}
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R-601 !Synonym
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72.14878 !Molar mass [g/mol]
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143.47 !Triple point temperature [K]
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309.209 !Normal boiling point [K]
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469.7 !Critical temperature [K]
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3367.5 !Critical pressure [kPa]
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3.21 !Critical density [mol/L]
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0.251 !Acentric factor
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0.07 !Dipole moment [Debye]; Harvey, A.H., Lemmon, E.W., Int. J. Thermophys., 26(1):31-46, 2005.
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NBP !Default reference state
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10.0 !Version number
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1265 !UN Number :UN:
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n-alkane !Family :Family:
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3535.77 !Heating value (upper) [kJ/mol] :Heat:
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1000. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL:
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A3 !Safety Group (ASHRAE Standard 34, 2010) :Safety:
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1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 !Standard InChI String :InChi:
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OFBQJSOFQDEBGM-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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86ee46a0 (isopentane) !Alternative fluid for mixing rules :AltID:
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76bc0290 !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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! 03-07-00 EWL, Add DDMIX transport properties.
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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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! 10-13-04 MLH, Add family.
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! 12-05-06 EWL, Add melting line.
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! 03-05-07 MLH, Add VS4 model.
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! 08-17-10 IDC, Add ancillary equations.
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! 06-13-11 IA, Add Ratanapisit BWR equation of state.
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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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! 10-20-14 MLH, Update TK3 block to model of Perkins (2013).
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! 04-15-15 MLH, Add new Vassiliou et al. (2015) thermal conductivity formulation.
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! 11-05-17 MLH, Replace DDMIX viscosity with preliminary ECS model.
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! 05-02-18 MT, Add final equation of state of Thol et al. (2018).
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for pentane of Thol et al. (2018).
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:TRUECRITICALPOINT: 469.7 3.21 !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., Uhde, T., Lemmon, E.W., and Span, R.,
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? "Fundamental Equations of State for Hydrocarbons. Part I. n-Pentane,"
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? to be published, 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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143.47 !Lower temperature limit [K]
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650.0 !Upper temperature limit [K]
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780000.0 !Upper pressure limit [kPa]
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13.0 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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72.14878 !Molar mass [g/mol]
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143.47 !Triple point temperature [K]
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0.000078028 !Pressure at triple point [kPa]
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10.584 !Density at triple point [mol/L]
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309.209 !Normal boiling point temperature [K]
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0.251 !Acentric factor
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469.7 3367.5 3.21 !Tc [K], pc [kPa], rhoc [mol/L]
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469.7 3.21 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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11 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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0.042952795 1. 4. 0. !a(i),T(i),D(i),l(i)
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2.4923999 0.367 1. 0.
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-2.603872 0.704 1. 0.
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-0.83829913 1.04 2. 0.
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0.19223378 0.494 3. 0.
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-3.0778196 1.34 1. 2.
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-0.000324816 0.688 1. 3.
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-1.6781976 1.688 3. 2.
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0.6416425 0.88 2. 1.
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-1.7300934 1.357 2. 2.
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-0.017585046 1.021 7. 1.
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4.5708883 0.979 1. 2. 2. -1.01 -0.583 1.06 0.927 0. 0. 0.
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-0.0758188 2.966 1. 2. 2. -4.77 -31.6 1.37 0.968 0. 0. 0.
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-0.62122633 1.35 3. 2. 2. -1.13 -0.52 1.09 0.735 0. 0. 0.
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-0.42413043 0.664 2. 2. 2. -1.08 -0.654 1.19 1.196 0. 0. 0.
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-2.0418443 0.937 2. 2. 2. -1.12 -0.75 0.83 0.617 0. 0. 0.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for pentane of Thol et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Uhde, T., 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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6.618 154.0
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15.97 1324.0
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15.29 2634.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for pentane of Thol et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Uhde, T., 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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8.5092528322783494 0.0 !aj, ti for [ai*tau**ti] terms
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0.0643058406269243 1.0 !aj, ti for [ai*tau**ti] terms
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6.618 154.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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15.97 1324.0
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15.29 2634.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for pentane of Span and Wagner (2003).
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:TRUECRITICALPOINT: 469.659 3.259910 !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: 10.1023/A:1022310214958
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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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143.47 !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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11.2 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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72.14878 !Molar mass [g/mol]
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143.47 !Triple point temperature [K]
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0.000076322 !Pressure at triple point [kPa]
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10.566 !Density at triple point [mol/L]
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309.214 !Normal boiling point temperature [K]
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0.251 !Acentric factor
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469.7 3370.0 3.2155776 !Tc [K], pc [kPa], rhoc [mol/L]
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469.7 3.2155776 !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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1.0968643 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.9988888 1.125 1. 0.
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0.99516887 1.5 1. 0.
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-0.16170709 1.375 2. 0.
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0.11334460 0.25 3. 0.
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0.00026760595 0.875 7. 0.
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0.40979882 0.625 2. 1.
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-0.040876423 1.75 5. 1.
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-0.38169482 3.625 1. 2.
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-0.10931957 3.625 4. 2.
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-0.032073223 14.5 3. 3.
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0.016877016 12.0 4. 3.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for pentane 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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15427220.0 -2.0 840.538 -1.0 -2.0
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285724.3 -2.0 178.67 -1.0 -2.0
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105152000.0 -2.0 1774.25 -1.0 -2.0
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@EOS !---Equation of state---
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FEK !Helmholtz equation of state for pentane 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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143.47 !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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10.57 !Maximum density [mol/L]
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PHK !Pointer to Cp0 model
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72.14878 !Molar mass [g/mol]
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143.47 !Triple point temperature [K]
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0.00007632 !Pressure at triple point [kPa]
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10.57 !Density at triple point [mol/L]
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309.21 !Normal boiling point temperature [K]
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0.2513 !Acentric factor
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469.7 3368.8 3.215577588 !Tc [K], pc [kPa], rhoc [mol/L]
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469.7 3.215577588 !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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1.0968643098001 0.25 1. 0.
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-2.9988888298061 1.125 1. 0.
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0.99516886799212 1.5 1. 0.
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-0.16170708558539 1.375 2. 0.
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0.11334460072775 0.250 3. 0.
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0.00026760595150748 0.875 7. 0.
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0.40979881986931 0.625 2. 1.
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-0.040876423083075 1.75 5. 1.
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-0.38169482469447 3.625 1. 2.
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-0.10931956843993 3.625 4. 2.
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-0.03207322332799 14.5 3. 3.
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0.016877016216975 12.0 4. 3.
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@AUX !---Auxiliary function for PH0
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PHK !Ideal gas Helmholtz form for pentane 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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14.536611217 0.0 !aj, ti for [ai*tau**ti] terms
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-89.919548319 1.0
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-21.836 1.789520971 !aj, ti for cosh and sinh terms
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8.95043 0.380391739
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33.4032 3.777411113
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@EOS !---Equation of state---
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FE2 !Helmholtz equation of state for pentane 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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238.0 !Lower temperature limit [K]
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573.0 !Upper temperature limit [K]
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30000.0 !Upper pressure limit [kPa]
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9.410819 !Maximum density [mol/L]
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CP2 !Pointer to Cp0 model
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72.151 !Molar mass [g/mol]
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143.47 !Triple point temperature [K]
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3.624503 !Pressure at triple point [kPa]
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9.3861 !Density at triple point [mol/L]
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309.194 !Normal boiling point temperature [K]
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0.2506 !Acentric factor
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469.69 3363.8 3.2154786 !Tc [K], pc [kPa], rhoc [mol/L]
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469.69 3.2154786 !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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-1.176489009 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
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1.63499095773 4. 0. 0. 0.
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-0.366669005817 5. 0. 0. 0.
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0.724947274043 0. 1. 0. 0.
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-2.21919300269 1. 1. 0. 0.
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1.88671490348 2. 1. 0. 0.
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-1.95774652096 3. 1. 0. 0.
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0.308440851184 4. 1. 0. 0.
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0.437424419722 0. 2. 0. 0.
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-0.625853472351 1. 2. 0. 0.
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0.382868807091 2. 2. 0. 0.
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-0.119467393955 0. 3. 0. 0.
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0.218631441082 1. 3. 0. 0.
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0.0485668874195 0. 4. 0. 0.
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-0.132198161379 1. 4. 0. 0.
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0.021354984485 1. 5. 0. 0.
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1.176489009 3. 0. 2. 0.968832
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-1.63499095773 4. 0. 2. 0.968832
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0.366669005817 5. 0. 2. 0.968832
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-0.00363660829618 3. 2. 2. 0.968832
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0.633672105685 4. 2. 2. 0.968832
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-0.705792643982 5. 2. 2. 0.968832
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@AUX !---Auxiliary function for Cp0
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CP2 !Ideal gas heat capacity function for pentane.
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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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10.288132 0.0
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-0.02695377 1.0
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0.00020951065 2.0
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-0.27910773e-6 3.0
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0.12266269e-9 4.0
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@EOS !---Equation of state---
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FE3 !Helmholtz equation of state for pentane 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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177.0 !Lower temperature limit [K]
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589.0 !Upper temperature limit [K]
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55000.0 !Upper pressure limit [kPa]
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10.2534 !Maximum density [mol/L]
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CP3 !Pointer to Cp0 model
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72.147 !Molar mass [g/mol]
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143.47 !Triple point temperature [K]
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0.011064 !Pressure at triple point [kPa]
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10.253 !Density at triple point [mol/L]
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309.037 !Normal boiling point temperature [K]
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0.25 !Acentric factor
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469.69 3364.0 3.1825244 !Tc [K], pc [kPa], rhoc [mol/L]
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469.69 3.1825244 !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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1.75873733594 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
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0.485604047435 0. 1. 0. 0.
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-1.11896446456 1. 1. 0. 0.
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-0.685918143315 3. 1. 0. 0.
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0.0368714111378 4. 1. 0. 0.
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-0.00167498784887 5. 1. 0. 0.
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0.327765295239 0. 2. 0. 0.
|
|
-0.352742092747 1. 2. 0. 0.
|
|
-0.0999487301826 2. 2. 0. 0.
|
|
0.0078199912083 1. 5. 0. 0.
|
|
0.00221577806386 2. 5. 0. 0.
|
|
-1.75873733594 3. 0. 2. 0.46812392
|
|
-0.411653507564 3. 2. 2. 0.46812392
|
|
|
|
|
|
@AUX !---Auxiliary function for Cp0
|
|
CP3 !Ideal gas heat capacity function for pentane.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Starling, K.E.,
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1.0 4.184 !Reducing parameters for T, Cp0
|
|
1 0 1 1 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
|
22.5012 0.0
|
|
29729270.0 -2.0 802.069 -1.0 -2.0
|
|
205741700.0 -2.0 1719.58 -1.0 -2.0
|
|
|
|
|
|
@EOS !---Equation of state---
|
|
BWR !MBWR equation of state for pentane of Ratanapisit and Ely (1999).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Ratanapisit, J., Ely, J.F.
|
|
? "Application of new, modified BWR equations of state to the
|
|
? corresponding-states prediction of natural gas properties,"
|
|
? Int. J. Thermophys., 20(6):1721-1735, 1999.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
143.47 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
70000.0 !Upper pressure limit [kPa]
|
|
11.2 !Maximum density [mol/L]
|
|
CPP !Pointer to Cp0 model
|
|
72.14878 !Molar mass [g/mol]
|
|
143.47 !Triple point temperature [K]
|
|
0.0000815 !Pressure at triple point [kPa]
|
|
10.558 !Density at triple point [mol/L]
|
|
309.21 !Normal boiling point temperature [K]
|
|
0.251 !Acentric factor
|
|
469.65 3364.56 3.2155 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
469.65 3.2155 !Reducing parameters [K, mol/L]
|
|
3.2155 !gamma
|
|
0.0831434 !Gas constant [L-bar/mol-K]
|
|
32 1 !Nterm, Ncoeff per term
|
|
-0.0741533782499 7.5404402195 -193.328401588
|
|
33942.8034054 -5125715.61595 0.00151195406963
|
|
-7.12225059892 4126.64185793 840258.305443
|
|
-4.68416651753e-4 3.03565637672 -1421.46321204
|
|
-0.110170659283 -9.80664356304 1109.79804446
|
|
2.9802960413 -0.141484307201 -33.9208006239
|
|
2.08782048763 538055.429992 -640401885.304
|
|
-119676.622034 1.71973349582e+10 -3063.83363882
|
|
1431683.48944 14.1452433419 -25295568.7564
|
|
-3.85316416299 2654.16349789 0.0047664387698
|
|
-8.37595968663 -1351.60880503
|
|
|
|
|
|
|
|
|
|
================================================================================
|
|
|
|
#TCX !---Thermal conductivity---
|
|
TC1 !Pure fluid thermal conductivity model for pentane of Vassiliou et al. (2015).
|
|
:DOI: 10.1063/1.4927095
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Vassiliou, C.-M., Assael, M.J., Huber, M.L., and Perkins, R.A.,
|
|
? "Reference Correlatons of the Thermal Conductivity of Cyclopentane, iso-Pentane, and N-Pentane,"
|
|
? J. Phys. Chem. Ref. Data, 44(3), 033102, 2015.
|
|
?
|
|
?Estimated uncertainties in thermal conductivity are 4% for the liquid over 150 K at pressures up to 70 MPa,
|
|
? 4% for the gas, except near critical where the uncertainties are larger.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
143.47 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
11.2 !Maximum density [mol/L]
|
|
6 5 !# terms for dilute gas function: numerator, denominator
|
|
469.7 0.001 !Reducing parameters for T, tcx
|
|
-3.96685 0. !Coefficient, power in T
|
|
35.3805 1.
|
|
5.11554 2.
|
|
-108.585 3.
|
|
179.573 4.
|
|
39.2128 5.
|
|
2.71636 0.
|
|
-5.76265 1.
|
|
6.77885 2.
|
|
-0.59135 3.
|
|
1.0 4.
|
|
10 0 !# terms for background gas function: numerator, denominator
|
|
469.7 3.2156 1. !Reducing parameters for T, rho, tcx
|
|
0.000776054 0. 1. 0.
|
|
0.117655 0. 2. 0.
|
|
-0.133101 0. 3. 0.
|
|
0.0534026 0. 4. 0.
|
|
-0.0068793 0. 5. 0.
|
|
0.00797696 1. 1. 0.
|
|
-0.0785888 1. 2. 0.
|
|
0.0916089 1. 3. 0.
|
|
-0.0370431 1. 4. 0.
|
|
0.0050962 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 pentane of Perkins et al. (2013).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
|
|
? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
|
|
? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
9 0 0 0 !# terms: terms, spare, spare, spare
|
|
1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
|
|
0.63 !Nu (universal exponent)
|
|
1.239 !Gamma (universal exponent)
|
|
1.02 !R0 (universal amplitude)
|
|
0.063 !Z (universal exponent--not used for t.c., only viscosity)
|
|
1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
|
|
0.227e-9 !Xi0 (amplitude) [m]
|
|
0.058 !Gam0 (amplitude) [-]
|
|
0.668e-9 !Qd_inverse (modified effective cutoff parameter) [m]
|
|
704.55 !Tref (reference temperature) [K]
|
|
|
|
|
|
|
|
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
|
|
|
@TRN !---ECS Transport---
|
|
ECS !Extended Corresponding States model (Propane reference)
|
|
:DOI: 10.6028/NIST.IR.8209
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension
|
|
? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018.
|
|
? doi: 10.6028/NIST.IR.8209
|
|
?
|
|
?VISCOSITY
|
|
? Fit to the data (at P< 100 MPa) of:
|
|
? Giller, E.B., Drickamer, H.G., Ind. Eng. Chem., 41:2067-2069, 1949.
|
|
? Oliveira, C.M.B.P., Wakeham, W.A., Int. J. Thermophys., 13:773-790, 1992.
|
|
? Estrada-Baltazar, A., Iglesias-Silva, G. A., Barrufet, M. A., J. Chem. Eng. Data, 43:601-604, 1998.
|
|
? Audonnet, F. and Padua, A.A.H., Fluid Phase Equilib., 181:147-161, 2001.
|
|
? Tohidi, B., Burgass, R.W., Danesh, A., Todd, A.C., J. Chem. Eng. Data, 46, 385-390:2001.
|
|
? Ma, P.S., Zhou, Q., Yang, C., Xia, S., Huagong Xuebao, 55(6):1608-1613, 2004.
|
|
?
|
|
? The estimated uncertainty of the viscosity of the liquid phase at pressures below 100 MPa is 4%.
|
|
?
|
|
?THERMAL CONDUCTIVITY
|
|
? Model not fit.
|
|
? The estimated uncertainty of the thermal conductivity of the liquid phase and gas phases is 20%, larger near critical.
|
|
?
|
|
?The Lennard-Jones parameters were obtained from fitting eta0 from Vogel, E. and Holdt, B., High Temp.-High Press., 23, 473-483, 1991.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
143.47 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
11.2 !Maximum density [mol/L]
|
|
FEQ PROPANE.FLD
|
|
VS1 !Model for reference fluid viscosity
|
|
TC1 !Model for reference fluid thermal conductivity
|
|
BIG !Large molecule identifier
|
|
1.00 0. 0. 0. !Large molecule parameters
|
|
1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
|
|
0.5790 !Lennard-Jones coefficient sigma [nm] for ECS method
|
|
349.44 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|
|
1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
|
|
0.00120 0. 0. 0. !Coefficient, power of T, spare1, spare2
|
|
4 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
|
|
0.455019 0. 0. 0. !Coefficient, power of T, spare1, spare2
|
|
0.677221 0. 1. 0. !Coefficient, power of T, spare1, spare2
|
|
-0.277823 0. 2. 0. !Coefficient, power of T, spare1, spare2
|
|
3.72505e-2 0. 3. 0. !Coefficient, power of T, spare1, spare2
|
|
2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
|
|
0.98 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
0.0 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
TK3 !Pointer to critical enhancement auxiliary function
|
|
|
|
|
|
|
|
|
|
********************************************************************************
|
|
|
|
@ETA !---Viscosity---
|
|
VS2 !Pure fluid viscosity model from NIST14 for pentane.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Coefficients are taken from NIST14, Version 9.08.
|
|
?
|
|
?Estimated uncertainty is 2 %.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
143.47 !Lower temperature limit [K]
|
|
1000.0 !Upper temperature limit [K]
|
|
200000.0 !Upper pressure limit [kPa]
|
|
20.57 !Maximum density [mol/L]
|
|
CI0 !Pointer to collision integral model
|
|
0.5784 !Lennard-Jones coefficient sigma [nm]
|
|
341.10 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
0.226720214 !Const
|
|
0.5 !Exponent for T
|
|
0.0 !Coefficient for initial density dependence of viscosity
|
|
0.0
|
|
0.0
|
|
100.0
|
|
-13.47938293 !Coefficients for residual viscosity
|
|
1176.62751650
|
|
14.2278439927
|
|
-21951.0293411
|
|
0.03766867689
|
|
70.1529173825
|
|
21435.7720323
|
|
3.215
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
|
|
|
|
|
|
|
|
|
@ETA !---Viscosity---
|
|
VS4 !Pure fluid generalized friction theory viscosity model for pentane 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
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
143.47 !Lower temperature limit [K]
|
|
1000.0 !Upper temperature limit [K]
|
|
200000.0 !Upper pressure limit [kPa]
|
|
21.2 !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
|
|
0.5784 !Lennard-Jones coefficient sigma [nm] (not used)
|
|
341.10 !Lennard-Jones coefficient epsilon/kappa [K] (not used)
|
|
469.7 1.0 !Reducing parameters for T, eta
|
|
0.0 0.5 !Chapman-Enskog term; not used here
|
|
17.6805 0.0 !Empirical terms for eta0
|
|
-55.6942 0.25
|
|
48.7177 0.50
|
|
0 !Number of terms for initial density dependence
|
|
1.08193e-5 -4.71699e-5 0. 0. 0. !a(0),a(1),a(2)typo in manuscript for a(1); correct here.0
|
|
1.21502e-4 -9.84766e-5 0. 0. 0. ! b(0),b(1),b(2)
|
|
5.08307e-5 -1.07e-5 0. 0. 0. ! c(0),c(1),c(2)
|
|
-2.10025e-10 -1.56583e-9 0. 0. 0. !A(0),A(1),A(2)
|
|
1.98521e-8 2.05972e-9 0. 0. 0. ! B(0),B(1),B(2)
|
|
-1.18487e-7 1.69571e-7 0. 0. 0. ! C(0),C(1),C(2)
|
|
0.0 0.0 0. 0. 0. ! D(0),D(1),D(2)
|
|
0.0 0.0 0. 0. 0. ! E(0),E(1),E(2)
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
|
|
|
|
|
|
|
|
|
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
|
|
|
#STN !---Surface tension---
|
|
ST1 !Surface tension model for pentane 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. !
|
|
3 !Number of terms in surface tension model
|
|
469.7 !Critical temperature used in fit (dummy)
|
|
0.08015 1.408 !Sigma0 and n
|
|
0.004384 1.031
|
|
-0.03437 1.818
|
|
|
|
|
|
#DE !---Dielectric constant---
|
|
DE3 !Dielectric constant model for pentane 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
|
|
25.39 0. 1. 0.
|
|
0.025 1. 1. 0.
|
|
78.39 0. 2. 0.
|
|
54.15 1. 2. 0.
|
|
-12480.0 0. 3. 0.
|
|
-4800.0 1. 3. 0.
|
|
|
|
|
|
#MLT !---Melting line---
|
|
ML1 !Melting line model for pentane of Reeves et al. (1964).
|
|
:DOI: 10.1063/1.1725068
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Reeves, L.E., Scott, G.J., and Babb, S.E., Jr.,
|
|
? "Melting Curves of Pressure-Transmitting Fluids,"
|
|
? J. Chem. Phys., 40(12):3662-6, 1964.
|
|
?
|
|
?Coefficients have been modified, 2006.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
143.47 !Lower temperature limit [K]
|
|
2000.0 !Upper temperature limit [K]
|
|
0. !
|
|
0. !
|
|
143.47 0.76322e-4 !Reducing temperature and pressure
|
|
2 0 0 0 0 0 !Number of terms in melting line equation
|
|
-8647500000.0 0.0 !Coefficients and exponents
|
|
8647500001.0 1.649
|
|
|
|
|
|
#PS !---Vapor pressure---
|
|
PS5 !Vapor pressure equation for pentane of Thol et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Thol, M., Uhde, T., 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. !
|
|
469.7 3367.5 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
-7.3342 1.0
|
|
2.043 1.5
|
|
-2.196 2.26
|
|
-6.3246 5.5
|
|
5.429 7.1
|
|
-2.821 11.0
|
|
|
|
|
|
#DL !---Saturated liquid density---
|
|
DL1 !Saturated liquid density equation for pentane of Thol et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Thol, M., Uhde, T., 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. !
|
|
469.7 3.21 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
3.5771 0.43 !Coefficients and exponents
|
|
-4.653 0.83
|
|
8.517 1.25
|
|
-7.831 1.72
|
|
3.3029 2.24
|
|
0.5782 17.5
|
|
|
|
|
|
#DV !---Saturated vapor density---
|
|
DV3 !Saturated vapor density equation for pentane of Thol et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Thol, M., Uhde, T., 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. !
|
|
469.7 3.21 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
-3.5333 0.428
|
|
-8.4246 1.484
|
|
-25.474 3.87
|
|
-57.24 7.861
|
|
-34.6 15.98
|
|
-111.9 17.33
|
|
|
|
|
|
@END
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c 1 2 3 4 5 6 7 8
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c2345678901234567890123456789012345678901234567890123456789012345678901234567890
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@TCX !Thermal conductivity model specification
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TC1 pure fluid thermal conductivity model
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Coefficients are taken from NIST14, Version 9.08
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?
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?Critical enhancement model of Olchowy and Sengers added. Estimated uncertainty, except near
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? the critical region, is 4-6%
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?
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!```````````````````````````````````````````````````````````````````````````````
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143.47 !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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10.57 !Maximum density [mol/L]
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3 0 !# terms for dilute gas function: numerator, denominator
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341.1 0.001 !Reducing parameters for T, tcx
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1.35558587 0. !Coefficient, power in T
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-0.15569137 -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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469.69 3.215 0.001 !Reducing parameters for T, rho, tcx
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18.6089331038 0. 1. 0. !Coefficient, powers of T, rho, exp(rho)
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-5.836570612990 0. 3. 0.
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3.489871005290 0. 4. 0.
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0.704467355508 -1. 4. 0.
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-0.206501417728 0. 5. 0.
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-0.223070394020 -1. 5. 0.
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TK3 !Pointer to critical enhancement auxiliary function
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