448 lines
20 KiB
Plaintext
448 lines
20 KiB
Plaintext
p-Xylene !Short name
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106-42-3 !CAS number
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1,4-Dimethylbenzene !Full name
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C8H10 !Chemical formula {C8H10}
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p-Xylene !Synonym
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106.165 !Molar mass [g/mol]
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286.4 !Triple point temperature [K]
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411.470 !Normal boiling point [K]
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616.168 !Critical temperature [K]
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3531.5 !Critical pressure [kPa]
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2.69392 !Critical density [mol/L]
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0.324 !Acentric factor
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0.0 !Dipole moment [Debye]; (exactly zero due to symmetry) van Arkel, A.E., P. Meerburg, and C.R. van der Handel, Rec. Trav. Chim., 61, 767-770 (1942).
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NBP !Default reference state
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10.0 !Version number
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1307 !UN Number :UN:
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aromatic !Family :Family:
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4593.938 !Heating value (upper) [kJ/mol] :Heat:
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1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 !Standard InChI String :InChi:
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URLKBWYHVLBVBO-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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f174a9b0 (octane) !Alternative fluid for mixing rules :AltID:
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01b0e650 !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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! 03-12-09 EWL, Original version.
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! 04-01-13 SH, Add ancillary equations.
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! 04-06-13 EWL, Add dipole moment.
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! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
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! 06-17-14 MLH, Add preliminary transport.
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! 12-08-14 MLH, Add thermal conductivity model of Mylona et al. (2014).
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! 02-21-17 MLH, Add viscosity model of Balogun 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 p-xylene of Zhou et al. (2012).
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:TRUECRITICALPOINT: 616.168 2.69392 !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: 10.1063/1.3703506
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y., Lemmon, E.W., and Wu, J.,
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? "Thermodynamic Properties of o-Xylene, m-Xylene, p-Xylene, and Ethylbenzene,"
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? J. Phys. Chem. Ref. Data, 41, 023103, 2012.
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?
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?The uncertainty in vapor pressure of the equation of state for p-xylene is
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? 0.2% above 300 K. The uncertainties in saturated liquid density are 0.02%
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? between 290 K and 350 K, and 0.2% elsewhere, due to a lack of reliable
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? experimental data. The uncertainties in density are 0.2% in the liquid
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? region and 1.0% elsewhere, including the critical and vapor regions. The
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? uncertainty in sound speed is 0.3% in the liquid region, and the
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? uncertainty in heat capacity is 1.0%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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286.4 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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200000.0 !Upper pressure limit [kPa]
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8.166 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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106.165 !Molar mass [g/mol]
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286.4 !Triple point temperature [K]
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0.580 !Pressure at triple point [kPa]
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8.165 !Density at triple point [mol/L]
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411.470 !Normal boiling point temperature [K]
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0.324 !Acentric factor
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616.168 3531.5 2.69392 !Tc [K], pc [kPa], rhoc [mol/L]
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616.168 2.69392 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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12 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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0.0010786811 1.0 5. 0. !a(i),t(i),d(i),l(i)
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-0.103161822 0.83 1. 0.
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0.0421544125 0.83 4. 0.
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1.47865376 0.281 1. 0.
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-2.4266 0.932 1. 0.
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-0.46575193 1.1 2. 0.
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0.190290995 0.443 3. 0.
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-1.06376565 2.62 1. 2.
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-0.209934069 2.5 3. 2.
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1.25159879 1.2 2. 1.
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-0.951328356 3.0 2. 2.
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-0.0269980032 0.778 7. 1.
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1.37103180 1.13 1. 2. 2. -1.179 -2.445 1.267 0.54944 0. 0. 0.
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-0.494160616 4.5 1. 2. 2. -1.065 -1.483 0.4242 0.7234 0. 0. 0.
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-0.0724317468 2.2 3. 2. 2. -1.764 -4.971 0.864 0.4926 0. 0. 0.
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-3.69464746 2.0 3. 2. 2. -13.675 -413.0 1.1465 0.8459 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 p-xylene of Zhou et al. (2012).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y., Lemmon, E.W., and Wu, J., 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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1.0 8.314472 !Reducing parameters for T, Cp0
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1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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5.2430504 0.0
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5.2291378 414.0
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19.549862 1256.0
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16.656178 2649.0
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5.9390291 6681.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for p-xylene of Zhou et al. (2012).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y., Lemmon, E.W., and Wu, J., 2012.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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4.2430504 1.0 !ai, ti for [ai*log(tau**ti)] terms
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5.9815277224498971 0.0 !aj, ti for [ai*tau**ti] terms
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-0.5247807538556827 1.0 !aj, ti for [ai*tau**ti] terms
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5.2291378 414.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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19.549862 1256.0
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16.656178 2649.0
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5.9390291 6681.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for p-xylene of Zhou et al. (2012).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y., Lemmon, E.W., and Wu, J., 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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1 2 4 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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4.2430504 1.0 !ai, ti for [ai*log(tau**ti)] terms
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5.9815241 0.0 !aj, ti for [ai*tau**ti] terms
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-0.52477835 1.0
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5.2291378 -0.6718946781 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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19.549862 -2.0384051103
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16.656178 -4.2991521793
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5.9390291 -10.8428220875
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS6 !Pure fluid viscosity model for p-xylene of Balogun et al. (2015).
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:DOI: 10.1063/1.4908048
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Balogun, B., Riesco, N., and Vesovic, V.,
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? "Reference Correlation of the Viscosity of para-Xylene from the Triple Point to 673 K and up to 110 MPa,"
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? J. Phys. Chem. Ref. Data, 44, 013103, 2015.
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? doi: 10.1063/1.4908048
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?
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?The overall uncertainty of the proposed correlation varies from 0.5% for the viscosity of the
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? dilute gas and of liquid at ambient pressure to 5% for the viscosity at high pressures and
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? temperatures.
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?
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!```````````````````````````````````````````````````````````````````````````````
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286.4 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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110000.0 !Upper pressure limit [kPa]
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8.166 !Maximum density [mol/L]
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1 !Number of terms associated with dilute-gas function
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CI3 !Pointer to reduced effective collision cross-section model
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1.0 !Lennard-Jones coefficient sigma [nm] not used here
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1.0 !Lennard-Jones coefficient epsilon/kappa [K] not used here
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1.0 1.0 !Reducing parameters for T, eta
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0.220055 1.0 !Chapman-Enskog term 0.021357*SQRT(MW)
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0 !Number of terms for initial density dependence
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0 12 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
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616.168 2.69392 1.0 !Reducing parameters for T, rho, eta
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35.779029 0.0 1.0 0. 0
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-47.491003 -1.0 1.0 0. 0
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11.80743 -2.0 1.0 0. 0
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15.337 -0.5 2.166667 0. 0
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122.919 0.0 2.166667 0. 0
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-282.329 0.0 2.666667 0. 0
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279.348 0.0 3.666667 0. 0
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-146.776 0.0 4.666667 0. 0
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28.361 0.0 5.666667 0. 0
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-0.004585 0.0 11.666667 0. 0
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-0.0004382 -0.5 11.666667 0. 0
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0.00002307 -0.5 15.666667 0. 0
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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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CI3 !Collision integral model for p-xylene of Balogun et al. (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Balogun, B., Riesco, N., and Vesovic, V., 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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3 !Number of terms
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-1.4933 0 !Coefficient, power of Tstar
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473.2 -1
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-57033. -2
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================================================================================
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#TCX !---Thermal conductivity---
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TC1 !Pure fluid thermal conductivity model for p-xylene of Mylona et al. (2014).
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:DOI: 10.1063/1.4901166
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mylona, S.K., Antoniadis, K.D., Assael, M.J. Huber, M.L., and Perkins, R.A.,
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? "Reference Correlation of the Thermal Conductivity of o-Xylene, m-Xylene,
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? p-Xylene, and Ethylbenzene from the Triple Point to 700 K and Moderate Pressures,"
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? J. Phys. Chem. Ref. Data, 48, 043104, 2014.
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?
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?The estimated uncertainty for thermal conductivity of liquid and supercritical
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? densities at temperatures from the triple point to 700 K is 3.6%, and 2.5% for the dilute gas.
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? Uncertainty in the critical region is much larger.
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?
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!```````````````````````````````````````````````````````````````````````````````
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286.4 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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200000.0 !Upper pressure limit [kPa]
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10. !Maximum density [mol/L]
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7 3 !# terms for dilute gas function: numerator, denominator
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616.168 0.001 !Reducing parameters for T, tcx
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-3.88568 0.
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29.4648 1.
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-81.5299 2.
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77.1534 3.
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7.55487 4.
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-3.8897 5.
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0.406892 6.
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0.00404188 0.
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-0.424893 1.
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1.0 2.
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10 0 !# terms for background gas function: numerator, denominator
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616.168 2.69392 1. !Reducing parameters for T, rho, tcx
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-0.101022 0. 1. 0.
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0.224828 0. 2. 0.
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-0.1591 0. 3. 0.
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0.049949 0. 4. 0.
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-0.00562422 0. 5. 0.
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0.107531 1. 1. 0.
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-0.205499 1. 2. 0.
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0.150348 1. 3. 0.
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-0.0502584 1. 4. 0.
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0.00644051 1. 5. 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 p-xylene of Perkins et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
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? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
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? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
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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)]
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0.63 !Nu (universal exponent)
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1.239 !Gamma (universal exponent)
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1.02 !R0 (universal amplitude)
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0.063 !Z (universal exponent--not used for t.c., only viscosity)
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1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
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0.235e-9 !Xi0 (amplitude) [m]
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0.056 !Gam0 (amplitude) [-]
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0.71e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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924.3 !Tref (reference temperature) [K]
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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@TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Propane reference); predictive mode for p-xylene.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
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?Unpublished; uses method described in the following reference:
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?Huber, M.L., Laesecke, A., and Perkins, R.A.
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? "Model for the Viscosity and Thermal Conductivity of Refrigerants, Including
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? a New Correlation for the Viscosity of R134a,"
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? Ind. Eng. Chem. Res., 42(13):3163-3178, 2003. doi: 10.1021/ie0300880
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?
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?Estimated uncertainty for liquid viscosity at pressures to 110 MPa is 5% for 298<T<348 K.
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? Based on comparisons with the data of Kashiwagi, H., Makita, T. "Viscosity of Twelve Hydrocarbon Liquids in the Temperature Range 298-348 K at Pressures Up To 110 MPa," Int. J. Thermophys., 1982, 3, 289-305
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?
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?The Lennard-Jones parameters were estimated with the method of Chung.
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?
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!```````````````````````````````````````````````````````````````````````````````
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286.4 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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200000.0 !Upper pressure limit [kPa]
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10.0 !Maximum density [mol/L]
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FEQ PROPANE.FLD
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VS1 !Model for reference fluid viscosity
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TC1 !Model for reference fluid thermal conductivity
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NUL !Large molecule identifier
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.5813 !Lennard-Jones coefficient sigma [nm] for ECS method (estimated)
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489.3 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method (estimated)
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1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
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3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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0.312445906 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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0.403396269 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.0603026419 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
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1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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TK3 !Pointer to critical enhancement auxiliary function
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for p-xylene of Mulero et al. (2014).
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:DOI: 10.1063/1.4878755
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mulero, A. and Cachadi<64>a, I.,
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? "Recommended Correlations for the Surface Tension of Several Fluids
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? Included in the REFPROP Program,"
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? J. Phys. Chem. Ref. Data, 43, 023104, 2014.
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? doi: 10.1063/1.4878755
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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 !Number of terms in surface tension model
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616.168 !Critical temperature used in fit (dummy)
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0.0619 1.21 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for p-xylene of Herrig (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Herrig, S., 2013.
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?
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?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
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? are the reducing parameters below, which are followed by rows containing Ni and ti.
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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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616.168 3531.5 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-7.7221 1.0
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||
1.5789 1.5
|
||
-13.035 3.8
|
||
18.453 4.6
|
||
-11.345 5.5
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for p-xylene of Herrig (2013).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Herrig, S., 2013.
|
||
?
|
||
?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. !
|
||
616.168 2.69392 !Reducing parameters
|
||
4 0 0 0 0 0 !Number of terms in equation
|
||
0.1783 0.15
|
||
3.4488 0.5
|
||
-2.3906 0.9
|
||
1.5933 1.3
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for p-xylene of Herrig (2013).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Herrig, S., 2013.
|
||
?
|
||
?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. !
|
||
616.168 2.69392 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
-6.17784 0.653
|
||
-0.38825 0.17
|
||
-19.0575 2.6
|
||
-541.124 7.8
|
||
1251.55 8.9
|
||
-920.226 10.0
|
||
|
||
|
||
@END
|
||
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