629 lines
30 KiB
Plaintext
629 lines
30 KiB
Plaintext
Benzene !Short name
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71-43-2 !CAS number
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Benzene !Full name
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C6H6 !Chemical formula {C6H6}
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Benzene !Synonym
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78.11184 !Molar mass [g/mol]
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278.674 !Triple point temperature [K]; Reid, Prausnitz, & Poling, McGraw-Hill (1987)
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353.219 !Normal boiling point [K]
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562.02 !Critical temperature [K]
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4907.277 !Critical pressure [kPa]
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3.901 !Critical density [mol/L]
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0.211 !Acentric factor
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0.0 !Dipole moment [Debye]; (exactly zero due to symmetry)
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NBP !Default reference state
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10.0 !Version number
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1114 !UN Number :UN:
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aromatic !Family :Family:
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3301.43 !Heating value (upper) [kJ/mol] :Heat:
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1S/C6H6/c1-2-4-6-5-3-1/h1-6H !Standard InChI String :InChi:
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UHOVQNZJYSORNB-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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cb03ba40 (hexane) !Alternative fluid for mixing rules :AltID:
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f2cfb460 !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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! 11-13-98 EWL, Original version.
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! 10-14-99 EWL, Add L-J parameters.
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! 11-08-01 EWL, Change dmax.
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! 08-08-05 EWL, Change tlow to ttrp.
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! 08-18-10 EWL, Add equation of state of Thol et al.
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! 08-19-10 IDC, Add ancillary equations.
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! 07-10-12 MLH, Add transport.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 02-20-13 EWL, Add final equation of state of Thol et al. (2013).
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! 04-06-13 EWL, Add dipole moment.
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! 09-21-15 MLH, Add viscosity correlation of Avgeri et al. (2014).
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for benzene of Thol et al. (2015).
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:TRUECRITICALPOINT: 562.02 3.901 !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., Lemmon, E.W., and Span, R.,
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? Unpublished equation of state, but similar to the one published in:
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? "Equation of State for Benzene for Temperatures from the Melting Line up to
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? 725 K with Pressures up to 500 MPa,"
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? High Temp.-High Press., 41:81-97, 2012.
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?
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?The estimated uncertainties of properties calculated with the equation
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? for benzene are 0.1% below 350 K and 0.2% above 350 K for saturated vapor
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? pressures and liquid densities, 1% for saturated vapor densities, 0.1% for
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? densities up to 350 K and 100 MPa, 0.1 - 0.5% in density above 350 K, 1% for
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? the isobaric heat capacities and saturated heat capacities, and 0.5% for
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? sound speeds. Deviations in the critical region are higher for all
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? properties except saturated vapor pressures.
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?
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!```````````````````````````````````````````````````````````````````````````````
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278.674 !Lower temperature limit [K]
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725.0 !Upper temperature limit [K]
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500000.0 !Upper pressure limit [kPa]
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11.45 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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78.11184 !Molar mass [g/mol]
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278.674 !Triple point temperature [K]
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4.785 !Pressure at triple point [kPa]
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11.44 !Density at triple point [mol/L]
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353.219 !Normal boiling point temperature [K]
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0.211 !Acentric factor
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562.02 4907.277 3.901 !Tc [K], pc [kPa], rhoc [mol/L]
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562.02 3.901 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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10 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.03512459 1.0 4. 0. !a(i),t(i),d(i),l(i)
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2.2338 0.29 1. 0.
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-3.10542612 0.696 1. 0.
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-0.577233 1.212 2. 0.
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0.25101 0.595 3. 0.
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-0.705518 2.51 1. 2.
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-0.139648 3.96 3. 2.
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0.83494 1.24 2. 1.
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-0.331456 1.83 2. 2.
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-0.0279953 0.82 7. 1.
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0.7099766 0.57 1. 2. 2. -1.032 -1.864 1.118 0.729 0. 0. 0.
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-0.3732185 2.04 1. 2. 2. -1.423 -1.766 0.639 0.907 0. 0. 0.
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-0.0629985 3.2 3. 2. 2. -1.071 -1.825 0.654 0.765 0. 0. 0.
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-0.803041 0.78 3. 2. 2. -14.2 -297.9 1.164 0.870 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 benzene of Thol et al. (2015).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Lemmon, E.W., and Span, R., 2015.
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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 8.314472 !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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3.94645 0.0
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7.36374 4116.0
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18.649 1511.0
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4.01834 630.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for benzene of Thol et al. (2015).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Lemmon, E.W., and Span, R., 2015.
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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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2.94645 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-0.673584364528315 0.0 !aj, ti for [ai*tau**ti] terms
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2.5555552197611604 1.0 !aj, ti for [ai*tau**ti] terms
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7.36374 4116.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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18.649 1511.0
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4.01834 630.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for benzene of Thol et al. (2015)
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Lemmon, E.W., and Span, R., 2015.
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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 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
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2.94645 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-0.6740687105 0.0 !aj, ti for [ai*tau**ti] terms
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2.5560188958 1.0
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7.36374 -7.3235827906 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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18.649 -2.6885164229
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4.01834 -1.1209565496
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for benzene of Thol et al. (2012).
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?
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?```````````````````````````````````````````````````````````````````````````````
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||
?Thol, M., Lemmon, E.W., Span, R.
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||
? "Equation of state for benzene for temperatures from the melting line up to
|
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? 725 K with pressures up to 500 MPa,"
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? High Temperatures-High Pressures, 41(2):81-97, 2012.
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?
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?The approximate uncertainties of properties calculated with the equation
|
||
? for benzene are 0.1% below 350 K and 0.2% above 350 K for saturated vapor
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||
? pressures and liquid densities, 1% for saturated vapor densities, 0.1% for
|
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? densities up to 350 K and 100 MPa, 0.1 - 0.5% in density above 350 K, 1% for
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? the isobaric heat capacities and saturated heat capacities, and 0.5% for
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? sound speeds. Deviations in the critical region are higher for all
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? properties except saturated vapor pressures.
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?
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!```````````````````````````````````````````````````````````````````````````````
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278.674 !Lower temperature limit [K]
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725.0 !Upper temperature limit [K]
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500000.0 !Upper pressure limit [kPa]
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11.45 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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78.11184 !Molar mass [g/mol]
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278.674 !Triple point temperature [K]
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4.783 !Pressure at triple point [kPa]
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11.45 !Density at triple point [mol/L]
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353.22 !Normal boiling point temperature [K]
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0.211 !Acentric factor
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||
562.02 4906.3 3.902 !Tc [K], pc [kPa], rhoc [mol/L]
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562.02 3.902 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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10 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.03513062 1.0 4. 0. !a(i),t(i),d(i),l(i)
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2.229707 0.3 1. 0.
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-3.100459 0.744 1. 0.
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-0.5763224 1.174 2. 0.
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0.2504179 0.68 3. 0.
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-0.7049091 2.5 1. 2.
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-0.1393433 3.67 3. 2.
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0.8319673 1.26 2. 1.
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-0.3310741 2.6 2. 2.
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-0.02793578 0.95 7. 1.
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0.7087408 1.0 1. 2. 2. -1.032 -1.867 1.1180 0.7289 0. 0. 0.
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-0.3723906 2.47 1. 2. 2. -1.423 -1.766 0.6392 0.9074 0. 0. 0.
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-0.06267414 3.35 3. 2. 2. -1.071 -1.824 0.6536 0.7655 0. 0. 0.
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-0.86295 0.75 3. 2. 2. -14.35 -297.5 1.1640 0.8711 0. 0. 0.
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@EOS !---Equation of state---
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FE2 !Helmholtz equation of state for benzene 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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?The uncertainties in density for benzene are 1% in the vapor phase, 0.3% in
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? the liquid phase up to 400 K (with lower uncertainties at lower temperatures),
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? 1% in the liquid phase between 400 and 500 K, and 2% and rising at
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? temperatures above 500 K. Near the saturation line at temperatures below 350
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? K, the liquid phase uncertainty decreases to 0.05%. The uncertainties in
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? vapor pressures are 0.15% at temperatures below 380 K, and 0.5% at higher
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? temperatures. The uncertainties in heat capacities and sound speeds are 2%
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? in the vapor phase and 5% in the liquid phase.
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?
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!```````````````````````````````````````````````````````````````````````````````
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278.7 !Lower temperature limit [K]
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635.0 !Upper temperature limit [K]
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78000.0 !Upper pressure limit [kPa]
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11.45 !Maximum density [mol/L]
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CP2 !Pointer to Cp0 model
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78.108 !Molar mass [g/mol]
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278.7 !Triple point temperature [K]
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6.0329 !Pressure at triple point [kPa]
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11.385 !Density at triple point [mol/L]
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353.234 !Normal boiling point temperature [K]
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0.2092 !Acentric factor
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562.05 4894.0 3.9560608 !Tc [K], pc [kPa], rhoc [mol/L]
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562.05 3.9560608 !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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-0.918572178424 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
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1.55357491575 4. 0. 0. 0.
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-0.356149241161 5. 0. 0. 0.
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0.817273664265 0. 1. 0. 0.
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-3.31303917534 1. 1. 0. 0.
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3.35336626528 2. 1. 0. 0.
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-2.56976312022 3. 1. 0. 0.
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0.427304812515 4. 1. 0. 0.
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0.406483484297 0. 2. 0. 0.
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-0.329744378187 1. 2. 0. 0.
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0.208907540720 2. 2. 0. 0.
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0.0777471199254 0. 3. 0. 0.
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-0.202621443063 1. 3. 0. 0.
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-0.01485803507 0. 4. 0. 0.
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0.0503167715817 1. 4. 0. 0.
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0.00293012717053 1. 5. 0. 0.
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0.918572178424 3. 0. 2. 0.95481
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-1.55357491575 4. 0. 2. 0.95481
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0.356149241161 5. 0. 2. 0.95481
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-0.0447029533153 3. 2. 2. 0.95481
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0.957712367542 4. 2. 2. 0.95481
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-1.14688433057 5. 2. 2. 0.95481
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@AUX !---Auxiliary function for Cp0
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CP2 !Ideal gas heat capacity function for benzene.
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?
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?```````````````````````````````````````````````````````````````````````````````
|
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?Polt, A., Platzer, B., and Maurer, G.,
|
||
? "Parameter der thermischen Zustandsgleichung von Bender fuer 14
|
||
? 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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0. !
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10000. !
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0. !
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0. !
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1.0 78.108 !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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-0.478176 0.0
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0.00618649 1.0
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-0.00000380363 2.0
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0.699648e-9 3.0
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0.42661e-13 4.0
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS1 !Pure fluid viscosity model for benzene of Avgeri et al. (2014).
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:DOI: 10.1063/1.4892935
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?
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||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Avgeri, S., Assael, M.J., Huber, M.L., and Perkins, R.A.,
|
||
? "Reference Correlation of the Viscosity of Benzene from the Triple Point to 675 K and up to 300 MPa,"
|
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? J. Phys. Chem. Ref. Data, 43(3), 033103, 2014. doi: 10.1063/1.4892935
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?
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?The correlation is valid from the triple point to 675 K, and at pressures up to 300 MPa, with the exception of
|
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? the temperature range lower than 350 K where the pressure is restricted to 200 MPa. For the liquid phase,
|
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? at temperatures from 288 K to 373 K and pressures up to 80 MPa, uncertainty is estimated (at a 95% confidence level)
|
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? to be 1.8%, increasing to 3.4% at 200 MPa, and 5% at pressures up to the correlation maximum.
|
||
? For the liquid at temperatures from 373 K to 523 K, the uncertainty is 2.7% at pressures from saturation to 50 MPa,
|
||
? rising to 3.6% at 300 MPa. For temperatures above 523 K, uncertainty in the liquid phase is estimated to be 5%.
|
||
? The uncertainty for the low-density fluid phase at temperatures from 305 K to 640 K and pressures to 0.3 MPa is estimated to be 0.2%.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
278.674 !Lower temperature limit [K]
|
||
725.0 !Upper temperature limit [K]
|
||
500000.0 !Upper pressure limit [kPa]
|
||
11.45 !Maximum density [mol/L]
|
||
1 !Number of terms associated with dilute-gas function
|
||
CI1 !Pointer to reduced effective collision cross-section model
|
||
0.540 !Lennard-Jones coefficient sigma [nm]
|
||
412.0 !Lennard-Jones coefficient epsilon/kappa [K]
|
||
1.0 1.0 !Reducing parameters for T, eta
|
||
0.18875509 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term]
|
||
9 !Number of terms for initial density dependence
|
||
412. 0.094826978 !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 8 6 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
|
||
562.02 3.902 1.0 !Reducing parameters for T, rho, eta (correlation in terms of uPa-s)
|
||
-2.263924 0.5 1.6666666667 0. 0 ! n1
|
||
11.493352 0.5 2.6666666667 0. 0 ! n2
|
||
-90.79586 0.5 3.6666666667 0. 0 ! n3
|
||
27.4582 0.5 4.6666666667 0. 0 ! n4
|
||
-9.98945 0.5 5.6666666667 0. 0 ! n5
|
||
1.68589 1.5 1.6666666667 0. 0 ! n6
|
||
5.260067 1.5 2.6666666667 0. 0 ! n7
|
||
11.101276 1.5 4.6666666667 0. 0 ! n8
|
||
-0.205488251 0.0 0. 0. 0 ! d1
|
||
0.074757797 0.0 1. 0. 0 ! d2
|
||
-2.74872 0.0 2. 0. 0 ! d3
|
||
1.0 0.0 3. 0. 0 ! d4
|
||
-0.083078339 1.0 0. 0. 0 ! d5
|
||
-1.1113 1.0 2. 0. 0 ! d6
|
||
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 benzene.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Avgeri, S., Assael, M.J., Huber, M.L., and Perkins, R.A., 2014.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
4 !Number of terms
|
||
0.234018 0 !Coefficient, power of Tstar
|
||
-0.476136 1
|
||
0.0 2
|
||
-0.015269 3
|
||
|
||
|
||
|
||
|
||
================================================================================
|
||
|
||
#TCX !---Thermal conductivity---
|
||
TC1 !Pure fluid thermal conductivity model for benzene of Assael et al. (2012).
|
||
:DOI: 10.1063/1.4755781
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Assael, M.J., Mihailidou, E., Huber, M.L., and Perkins, R.A.,
|
||
? "Reference Correlation of the Thermal Conductivity of Benzene from the Triple Point to 725 K and up to 500 MPa,"
|
||
? J. Phys. Chem. Ref. Data, 41(4), 043102, 2012. doi: 10.1063/1.4755781
|
||
?
|
||
?Uncertainty in thermal conductivity is estimated to be less than 4.4%, for temperatures up to 725 K and pressures
|
||
? less than 350 MPa, except in the critical region where uncertainties are much larger.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
278.674 !Lower temperature limit [K]
|
||
725.0 !Upper temperature limit [K]
|
||
500000.0 !Upper pressure limit [kPa]
|
||
11.45 !Maximum density [mol/L]
|
||
3 3 !# terms for dilute gas function: numerator, denominator
|
||
1.0 0.001 !Reducing parameters for T, tcx
|
||
56991.07 0.
|
||
-521.44 1.
|
||
1.5449 2.
|
||
562.02 0.
|
||
9.714 1.
|
||
0.0026102 2.
|
||
10 0 !# terms for background gas function: numerator, denominator
|
||
562.02 3.9019 1. !Reducing parameters for T, rho, tcx
|
||
0.0282489 0. 1. 0.
|
||
-0.0773415 0. 2. 0.
|
||
0.0714001 0. 3. 0.
|
||
-0.0236798 0. 4. 0.
|
||
0.00300875 0. 5. 0.
|
||
-0.0119268 1. 1. 0.
|
||
0.0833389 1. 2. 0.
|
||
-0.0898176 1. 3. 0.
|
||
0.0363025 1. 4. 0.
|
||
-0.00490052 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 benzene of Assael et al. (2012).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Assael, M.J., Mihailidou, E., Huber, M.L., and Perkins, R.A., 2012.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
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)
|
||
0.065 !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)
|
||
0.216e-9 !Xi0 (amplitude) [m]
|
||
0.0569 !Gam0 (amplitude) [-]
|
||
0.62e-9 !Qd_inverse (modified effective cutoff parameter) [m]
|
||
843.0 !Tref (reference temperature) [K]
|
||
|
||
|
||
|
||
|
||
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||
|
||
@TRN !---ECS Transport---
|
||
ECS !Extended Corresponding States model (C12 reference); predictive mode for benzene.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
|
||
?Unpublished; uses method described in the following reference:
|
||
?Huber, M.L., Laesecke, A., and Perkins, R.A.
|
||
? "Model for the Viscosity and Thermal Conductivity of Refrigerants, Including
|
||
? a New Correlation for the Viscosity of R134a,"
|
||
? Ind. Eng. Chem. Res., 42(13):3163-3178, 2003. doi: 10.1021/ie0300880
|
||
?
|
||
?Estimated uncertainty 3% for liquid in range 293 K to 350 K at pressures <180 MPa
|
||
?
|
||
?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.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
278.674 !Lower temperature limit [K]
|
||
725.0 !Upper temperature limit [K]
|
||
500000.0 !Upper pressure limit [kPa]
|
||
11.45 !Maximum density [mol/L]
|
||
FEQ C12.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)
|
||
0.5349 !Lennard-Jones coefficient sigma [nm]
|
||
412.3 !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
|
||
3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
|
||
1.09271 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
-0.161324 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
0.0486596 0. 2. 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
|
||
|
||
|
||
|
||
|
||
********************************************************************************
|
||
|
||
@ETA !---Viscosity---
|
||
VS5 !Pure fluid viscosity model for benzene of Chung et al. (1988).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Uses functional form in
|
||
? Chung, T-H., Ajlan, M., Lee, L.L. and Starling, K.E.
|
||
? "Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties"
|
||
? Ind. Eng. Chem. Res. 1988, 27, 671-679. doi: 10.1021/ie00076a024
|
||
? Parameters sigma, epsilon and w, mur, kappa fit to data.
|
||
?
|
||
?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY *** **
|
||
?
|
||
?Estimated uncertainty for liquid at 298 < T < 348 K, for p < 60 MPa is ~ 3%, larger at
|
||
? higher temps and pressures. Estimated uncertainty of dilute gas at 300 < t < 620 is ~ 2%
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
278.674 !Lower temperature limit [K]
|
||
725.0 !Upper temperature limit [K]
|
||
500000.0 !Upper pressure limit [kPa]
|
||
11.45 !Maximum density [mol/L]
|
||
1 !Number of terms associated with dilute-gas function
|
||
NUL !Pointer to reduced effective collision cross-section model; not used
|
||
0.5023 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A, fit
|
||
444.37 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593, fit
|
||
1.0 1.0 !Reducing parameters for T, eta
|
||
0.18875509 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term]
|
||
0 !Number of terms for initial density dependence
|
||
0.5693 0.3209 0.0642 0. 0 !w, mur, kappa for Chung, fit
|
||
0 !Additional parameters for Chung
|
||
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
||
|
||
|
||
|
||
|
||
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||
|
||
#STN !---Surface tension---
|
||
ST1 !Surface tension model for benzene of Mulero et al. (2012).
|
||
:DOI: 10.1063/1.4768782
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Mulero, A., Cachadi<64>a, 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
|
||
562.02 !Critical temperature used in fit (dummy)
|
||
0.07298 1.232 !Sigma0 and n
|
||
-0.0007802 0.8635
|
||
-0.0001756 0.3065
|
||
|
||
|
||
#PS !---Vapor pressure---
|
||
PS5 !Vapor pressure equation for benzene of Cullimore (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Cullimore, I.D., 2010.
|
||
?
|
||
?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. !
|
||
562.02 4906.3 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-7.1661 1.0
|
||
2.1551 1.5
|
||
-2.0297 2.2
|
||
-4.0668 4.8
|
||
0.38092 6.2
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for benzene of Cullimore (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Cullimore, I.D., 2010.
|
||
?
|
||
?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. !
|
||
562.02 3.902 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
18.160 0.534
|
||
-56.879 0.686
|
||
87.478 0.84
|
||
-64.365 1.0
|
||
18.5 1.2
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for benzene of Cullimore (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Cullimore, I.D., 2010.
|
||
?
|
||
?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. !
|
||
562.02 3.902 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
-3.1147 0.419
|
||
-4.6689 1.12
|
||
-16.161 2.8
|
||
-146.50 7.3
|
||
518.87 10.0
|
||
-827.72 12.0
|
||
|
||
|
||
@END
|
||
c 1 2 3 4 5 6 7 8
|
||
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
||
0.5349 !Lennard-Jones coefficient sigma [nm] for ECS method
|
||
412.3 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|