647 lines
32 KiB
Plaintext
647 lines
32 KiB
Plaintext
Toluene !Short name
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108-88-3 !CAS number
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Methylbenzene !Full name
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CH3-C6H5 !Chemical formula {C7H8}
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Toluene !Synonym
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92.13842 !Molar mass [g/mol]
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178.0 !Triple point temperature [K]
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383.75 !Normal boiling point [K]
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591.75 !Critical temperature [K]
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4126.3 !Critical pressure [kPa]
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3.169 !Critical density [mol/L]
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0.2657 !Acentric factor
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0.36 !Dipole moment [Debye]; R.D. Nelson, D.R. Lide, and A.A. Maryott, "Selected Values of Electric Dipole Moments for Molecules in the Gas Phase," NSRDS-NBS 10, National Reference Data Series, US Government Printing Office, Washington, 1967.
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NBP !Default reference state
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10.0 !Version number
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1294 !UN Number :UN:
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aromatic !Family :Family:
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3947.89 !Heating value (upper) [kJ/mol] :Heat:
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2.7 !GWP (IPCC 2007) :GWP:
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1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 !Standard InChI String :InChi:
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YXFVVABEGXRONW-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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b398a3b0 (heptane) !Alternative fluid for mixing rules :AltID:
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a49b8b50 !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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! 04-24-00 EWL, Add very preliminary equation of state of Lemmon and Jacobsen.
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! 07-21-00 EWL, Add second preliminary equation of state of Lemmon and Jacobsen.
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! 04-06-04 EWL, Finalize short (12 term) equation of state.
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! 04-19-04 AHH, Change dipole moment.
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! 09-04-06 MLH, Add very preliminary predictive ECS transport.
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! 03-12-09 EWL, Add vapor pressure ancillary equation.
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! 07-01-10 EWL, Add ancillary equations.
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! 07-05-10 EWL, Add transport equations.
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! 09-02-10 MLH, Add ECS.
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! 12-13-11 MLH, Add new thermal condictivity equation of Assael et al. (2012).
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 04-08-15 MLH, Add new viscosity model of Avgeri et al. (2015).
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for toluene of Lemmon and Span (2006).
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:TRUECRITICALPOINT: 591.75 3.169 !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: 10.1021/je050186n
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Span, R.,
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? "Short Fundamental Equations of State for 20 Industrial Fluids,"
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? J. Chem. Eng. Data, 51(3):785-850, 2006. doi: 10.1021/je050186n
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?
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?The uncertainties in density in the equation of state are 0.05% in the
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? liquid phase up to 540 K, 0.5% up to the critical temperature, 1% at
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? higher temperatures, 0.5% at pressures from 100 to 500 MPa, and 0.2% in
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? the vapor phase. The uncertainty for the saturated liquid density (and
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? densities near atmospheric pressure) approaches 0.01% around 300 K. The
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? uncertainties in vapor pressure are 0.3% from 270 to 305 K, 0.05% from
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? 305 to 425 K, 0.1% up to 555 K, and 0.15% up to the critical temperature.
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? The uncertainty in heat capacities is 0.5% and rises to 3% in the
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? critical region. The uncertainty in the speed of sound is 1% up to 500 K
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? and 100 MPa and rises to 2% at higher pressures and higher temperatures.
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?
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!```````````````````````````````````````````````````````````````````````````````
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178.0 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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500000.0 !Upper pressure limit [kPa]
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10.581 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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92.13842 !Molar mass [g/mol]
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178.0 !Triple point temperature [K]
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0.00003939 !Pressure at triple point [kPa]
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10.58 !Density at triple point [mol/L]
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383.75 !Normal boiling point temperature [K]
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0.2657 !Acentric factor
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591.75 4126.3 3.169 !Tc [K], pc [kPa], rhoc [mol/L]
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591.75 3.169 !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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0.96464 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.7855 1.125 1. 0.
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0.86712 1.5 1. 0.
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-0.18860 1.375 2. 0.
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0.11804 0.25 3. 0.
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0.00025181 0.875 7. 0.
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0.57196 0.625 2. 1.
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-0.029287 1.75 5. 1.
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-0.43351 3.625 1. 2.
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-0.12540 3.625 4. 2.
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-0.028207 14.5 3. 3.
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0.014076 12.0 4. 3.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for toluene of Lemmon and Span (2006).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Span, R., 2006.
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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 5 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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1.6994 190.0
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8.0577 797.0
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17.059 1619.0
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8.4567 3072.0
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8.6423 7915.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for toluene of Lemmon and Span (2006).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Span, R., 2006.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 5 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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3.5241204689061192 0.0 !aj, ti for [ai*tau**ti] terms
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1.1360804066266901 1.0 !aj, ti for [ai*tau**ti] terms
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1.6994 190.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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8.0577 797.0
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17.059 1619.0
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8.4567 3072.0
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8.6423 7915.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for toluene.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Span, R., 2006.
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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 5 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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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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3.5241174832 0.0 !aj, ti for [ai*tau**ti] terms
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1.1360823464 1.0
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1.6994 -0.3210815378 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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8.0577 -1.346852556
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17.059 -2.7359526827
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8.4567 -5.1913814956
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8.6423 -13.3755809041
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for toluene 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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298.0 !Lower temperature limit [K]
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673.0 !Upper temperature limit [K]
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25000.0 !Upper pressure limit [kPa]
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9.7242 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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92.142 !Molar mass [g/mol]
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178.0 !Triple point temperature [K]
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3.774 !Pressure at triple point [kPa]
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9.3606 !Density at triple point [mol/L]
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383.766 !Normal boiling point temperature [K]
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0.2654 !Acentric factor
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591.72 4119.9 3.1473161 !Tc [K], pc [kPa], rhoc [mol/L]
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591.72 3.1473161 !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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-0.343905499875 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
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0.737562743137 4. 0. 0. 0.
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-0.158601557810 5. 0. 0. 0.
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1.13243121503 0. 1. 0. 0.
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-2.53681929563 1. 1. 0. 0.
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1.04584338973 2. 1. 0. 0.
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-1.1573211938 3. 1. 0. 0.
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0.176205273278 4. 1. 0. 0.
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-0.242942016719 0. 2. 0. 0.
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0.398925293195 1. 2. 0. 0.
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0.193881828889 2. 2. 0. 0.
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0.199426230143 0. 3. 0. 0.
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-0.306598708746 1. 3. 0. 0.
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-0.0114697533947 0. 4. 0. 0.
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0.0230068676459 1. 4. 0. 0.
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0.00658341220591 1. 5. 0. 0.
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0.343905499875 3. 0. 2. 0.841
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-0.737562743137 4. 0. 2. 0.841
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0.158601557810 5. 0. 2. 0.841
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0.407079283970 3. 2. 2. 0.841
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-0.681406141650 4. 2. 2. 0.841
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0.110425925004 5. 2. 2. 0.841
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for toluene.
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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 92.142 !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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-0.321892 0.0
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0.00579338 1.0
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-0.00000348446 2.0
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0.143577e-8 3.0
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-0.71935e-12 4.0
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS1 !Pure fluid viscosity model for toluene of Avgeri et al. (2015).
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:DOI: 10.1063/1.4926955
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Avgeri, S., Assael, M.J., Huber, M.L., and Perkins, R.A.,
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? "Reference Correlation of the Viscosity of Toluene from the Triple Point to 675 K and up to 500 MPa,"
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? J. Phys. Chem. Ref. Data, 44(3), 033101, 2015. doi: 10.1063/1.4926955
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?
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?The estimated uncertainty at a 95% confidence level varies depending on the region of temperature and pressure
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? from a low of 0.3% for the low-density gas at temperatures from 305 K to 640 K at pressures to 0.3 MPa
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? to 0.7% for the saturated liquid at temperatures from 263 K to 373 K, to 5% for the low-temperature liquid
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? from 187 K to 210 K at pressures to 15 MPa.
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?
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!```````````````````````````````````````````````````````````````````````````````
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178.0 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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500000.0 !Upper pressure limit [kPa]
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10.581 !Maximum density [mol/L]
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1 !Number of terms associated with dilute-gas function
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CI1 !Pointer to reduced effective collision cross-section model
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0.524 !Lennard-Jones coefficient sigma [nm]
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472.0 !Lennard-Jones coefficient epsilon/kappa [K]
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1.0 1.0 !Reducing parameters for T, eta
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0.20500319 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term]
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9 !Number of terms for initial density dependence
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472. 0.0866452 !Reducing parameters for T (=eps/k), etaB2 (= 0.6022137*sigma**3)
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-19.572881 0.0 !Coefficient, power in T* = T/(eps/k)
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219.73999 -0.25
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-1015.3226 -0.5
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2471.0125 -0.75
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-3375.1717 -1.0
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2491.6597 -1.25
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-787.26086 -1.5
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14.085455 -2.5
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-0.34664158 -5.5
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0 0 8 3 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
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591.75 3.169001703 1.0 !Reducing parameters for T, rho, eta (correlation in terms of uPa-s)
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-159.279468 -0.5 1.6666666666 0. 0 !Coefficient, power of tau, del n1
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19.9192161 -0.5 3.6666666667 0. 0 !Coefficient, power of tau, del n2
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21.236423 -0.5 4.6666666667 0. 0 !Coefficient, power of tau, del n3
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-2.6557905 -0.5 6.6666666667 0. 0 !Coefficient, power of tau, del n4
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-138.53326 0.5 1.6666666667 0. 0 !Coefficient, power of tau, del n5
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-146.018028 0.5 3.6666666667 0. 0 !Coefficient, power of tau, del n6
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29.252989 0.5 4.6666666667 0. 0 !Coefficient, power of tau, del n7
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111.401629 1.5 1.6666666667 0. 0 !Coefficient, power of tau, del n8
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-7.9962719 0.0 0. 0. 0 !Coefficient, power of tau, del d1
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1.0 0.0 2. 0. 0 !Coefficient, power of tau, del d2
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-11.0147955 1.0 0. 0. 0 !Coefficient, power of tau, del d3
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NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
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#AUX !---Auxiliary function for the collision integral
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CI1 !Reduced effective collision cross-section model (empirical form in log(T*)) for toluene.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Avgeri, S., Assael, M.J., Huber, M.L., and Perkins, R.A., 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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4 !Number of terms
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0.401080 0 !Coefficient, power of Tstar
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-0.476409 1
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0.0 2
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0.069442 3
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================================================================================
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#TCX !---Thermal conductivity---
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TC1 !Pure fluid thermal conductivity model for toluene of Assael et al. (2012).
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:DOI: 10.1063/1.3700155
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Assael, M.J., Mylona, S.K., Huber, M.L., and Perkins, R.A.,
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? "Reference Correlation of the Thermal Conductivity of Toluene from the Triple Point
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? to 1000 K and up to 1000 MPa,"
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? J. Phys. Chem. Ref. Data, 41, 023101, 2012. doi: 10.1063/1.3700155
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?
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?The uncertainty is estimated, for pressures less than 700 MPa and temperatures less than 550 K,
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? to be less than 3% for the liquid, while for the region 550 K = T = 700 K the uncertainty
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? is estimated to be 4%. For the region T > 700 K and 500 MPa = p = 1000 MPa,
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? the equations can safely be used with an uncertainty of the order of 10%.
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? Finally, the uncertainty along the saturation line is estimated to be 2%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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170.0 !Lower temperature limit [K]
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2000.0 !Upper temperature limit [K]
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1000000.0 !Upper pressure limit [kPa]
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20.0 !Maximum density [mol/L]
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6 0 !# terms for dilute gas function: numerator, denominator
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1.0 0.001 !Reducing parameters for T, tcx
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5.8808 0. !Coefficient, power in T
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-0.061693 1.
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3.4151e-4 2.
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-3.042e-7 3.
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1.2868e-10 4.
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-2.1303e-14 5.
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12 0 !# terms for background gas function: numerator, denominator
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591.75 3.169 1. !Reducing parameters for T, rho, tcx
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-0.051853 0. 1. 0.
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0.133846 0. 2. 0.
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-0.120446 0. 3. 0.
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0.0530211 0. 4. 0.
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-0.0100604 0. 5. 0.
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0.000633457 0. 6. 0.
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0.0517449 1. 1. 0.
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-0.121902 1. 2. 0.
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0.137748 1. 3. 0.
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-0.0732792 1. 4. 0.
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0.0172914 1. 5. 0.
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-0.00138585 1. 6. 0.
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TK3 !Pointer to critical enhancement auxiliary function
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#AUX !---Auxiliary function for the thermal conductivity critical enhancement
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TK3 !Simplified thermal conductivity critical enhancement for toluene of Assael et al. (2012).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Assael, M.J., Mylona, S.K., Huber, M.L., and Perkins, R.A., 2012.
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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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9 0 0 0 !# terms: terms, spare, spare, spare
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||
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)
|
||
0.22e-9 !Xi0 (amplitude) [m]
|
||
0.05 !Gam0 (amplitude) [-]
|
||
0.62e-9 !Qd_inverse (modified effective cutoff parameter) [m]
|
||
887.625 !Tref (reference temperature) [K]
|
||
|
||
|
||
|
||
|
||
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||
|
||
@TRN !---ECS Transport---
|
||
ECS !Extended Corresponding States model (Propane reference); predictive mode for toluene.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?*** 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
|
||
?
|
||
?The Lennard-Jones parameters were estimated with the method of Chung.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
178.0 !Lower temperature limit [K]
|
||
700.0 !Upper temperature limit [K]
|
||
500000.0 !Upper pressure limit [kPa]
|
||
10.581 !Maximum density [mol/L]
|
||
FEQ PROPANE.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)
|
||
0.5507 !Lennard-Jones coefficient sigma [nm]
|
||
469.90 !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
|
||
1.64387 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
-0.52457 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
0.103043 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
|
||
1.09724 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
-0.0167852 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
TK3 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
|
||
|
||
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||
|
||
#STN !---Surface tension---
|
||
ST1 !Surface tension model for toluene 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. !
|
||
1 !Number of terms in surface tension model
|
||
591.75 !Critical temperature used in fit (dummy)
|
||
0.06897 1.291 !Sigma0 and n
|
||
|
||
|
||
#PS !---Vapor pressure---
|
||
PS5 !Vapor pressure equation for toluene of Lemmon et al. (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W., 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. !
|
||
591.75 4126.3 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-7.45201 1.0
|
||
2.03681 1.5
|
||
-1.43777 2.13
|
||
-3.51652 4.0
|
||
-1.75818 12.0
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for toluene of Lemmon et al. (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W., 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. !
|
||
591.75 3.169 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
14.0531 0.54
|
||
-32.5072 0.72
|
||
35.1091 0.93
|
||
-16.0694 1.2
|
||
2.38699 2.0
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for toluene of Lemmon et al. (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W., 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. !
|
||
591.75 3.169 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
-2.97587 0.425
|
||
-5.34939 1.06
|
||
-19.1781 3.0
|
||
-24.0058 6.3
|
||
-32.4034 7.0
|
||
-140.645 15.0
|
||
|
||
|
||
@END
|
||
c 1 2 3 4 5 6 7 8
|
||
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
||
|
||
|
||
@TCX !Thermal conductivity model specification
|
||
TC1 pure fluid thermal conductivity model of Lemmon (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W. and Laesecke, A., 2010.
|
||
? Unpublished preliminary equation for the thermal conductivity of toluene.
|
||
? This equation should not be used for calibration purposes.
|
||
?
|
||
?For a limited standard, see: Ramires, M.L.V., de Castro, C.A.N., Perkins, R.A., et al.
|
||
? Reference data for the thermal conductivity of saturated liquid toluene over a wide range of temperatures,
|
||
? J. Phys. Chem. Ref. Data, 29:133-139, 2000. doi: 10.1063/1.556057
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
1.0 !Lower temperature limit [K]
|
||
2000.0 !Upper temperature limit [K]
|
||
2200000.0 !Upper pressure limit [kPa]
|
||
53.15 !Maximum density [mol/L]
|
||
3 0 !# terms for dilute gas function: numerator, denominator
|
||
591.75 0.001 !Reducing parameters for T, tcx
|
||
28.96745197 1.20532335 !Coefficient, power in T
|
||
-167.24996945 1.58866032
|
||
180.04690463 1.71267964
|
||
6 0 !# terms for background gas function: numerator, denominator
|
||
591.75 3.169 0.001 !Reducing parameters for T, rho, tcx
|
||
-3.18905053658 -0.53316 4. 0. !Coefficient, powers of T, rho, exp(rho)
|
||
25.8544682121 -0.27224 3. 0.
|
||
-26.3059677817 -0.09974 5. 1.
|
||
-0.691196173614 -5.53274 7. 2.
|
||
0.054242865164 -6.84315 8. 2.
|
||
-0.326501347819 -0.39659 3. 2.
|
||
TK3 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
@AUX !---Thermal conductivity critical enhancement model
|
||
TK3 simplified thermal conductivity critical enhancement of Lemmon and Laesecke (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W. and Laesecke, A., 2010.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
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)
|
||
1.2415 !gamma (universal exponent)
|
||
1.01 !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)
|
||
0.33442441e-9 !xi0 (amplitude) [m]
|
||
0.055 !gam0 (amplitude) [-]
|
||
0.71763799e-9 !qd_inverse (modified effective cutoff parameter) [m]
|
||
1183.50 !Tref (reference temperature) [K]
|
||
|
||
|
||
@ETA !Viscosity model specification
|
||
VS1 pure fluid viscosity model of Lemmon (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W. and Laesecke, A., 2010.
|
||
? Unpublished preliminary equation for the viscosity of toluene.
|
||
? This equation should not be used for calibration purposes.
|
||
?
|
||
?For a limited standard, see: Santos, F.J.V., de Castro, C.A.N, Dymond, J.H., et al.,
|
||
? Standard reference data for the viscosity of toluene,
|
||
? J. Phys. Chem. Ref. Data, 35:1-8, 2006. doi: 10.1063/1.1928233
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
1.0 !Lower temperature limit [K]
|
||
2000.0 !Upper temperature limit [K]
|
||
2200000.0 !Upper pressure limit [kPa]
|
||
50.0 !Maximum density [mol/L]
|
||
1 !Number of terms associated with dilute-gas function
|
||
CI1 !Pointer to reduced effective collision cross-section model
|
||
0.5507 !Lennard-Jones coefficient sigma [nm]
|
||
469.90 !Lennard-Jones coefficient epsilon/kappa [K]
|
||
1.0 1.0 !Reducing parameters for T, eta
|
||
9.598876 0.5 !Chapman-Enskog term
|
||
0 !Number of terms for initial density dependence
|
||
0 10 0 0 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
|
||
591.75 3.169 1.0 !Reducing parameters for T, rho, eta
|
||
15.7560701809 -0.2843 1. 0. 0 !Simple polynomial terms
|
||
65.8234203776 -2.4238 2. 0. 0
|
||
-90.9162962259 -2.7667 2. 0. 1
|
||
-80.6740654754 -3.0019 4. 0. 1
|
||
3.95093273404 -3.2869 6. 0. 2
|
||
0.0867277691823 -6.0789 9. 0. 1
|
||
-0.00928414042924 -6.1564 11. 0. 1
|
||
0.98226489285e-5 -6.8541 12. 0. 0
|
||
-0.000785434913708 -5.5123 17. 0. 2
|
||
0.169683455336e-7 -4.1175 19. 0. 0
|
||
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
||
|
||
|
||
@AUX !---Collision integral specification
|
||
CI1 collision integral model of Lemmon (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
5 !Number of terms
|
||
4.16412004 0 !Coefficient, power of Tstar
|
||
-0.51985826 1
|
||
0.02635729 2
|
||
0.30985922 3
|
||
0.11296801 4
|