447 lines
20 KiB
Plaintext
447 lines
20 KiB
Plaintext
o-Xylene !Short name
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95-47-6 !CAS number
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1,2-Dimethylbenzene !Full name
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C8H10 !Chemical formula {C8H10}
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o-Xylene !Synonym
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106.165 !Molar mass [g/mol]
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247.985 !Triple point temperature [K]
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417.521 !Normal boiling point [K]
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630.259 !Critical temperature [K]
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3737.5 !Critical pressure [kPa]
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2.6845 !Critical density [mol/L]
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0.312 !Acentric factor
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0.630 !Dipole moment [Debye]; DIPPR DIADEM 2012
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NBP !Default reference state
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10.0 !Version number
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???? !UN Number :UN:
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aromatic !Family :Family:
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4596.31 !Heating value (upper) [kJ/mol] :Heat:
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1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 !Standard InChI String :InChi:
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CTQNGGLPUBDAKN-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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f174a9b0 (octane) !Alternative fluid for mixing rules :AltID:
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32008e80 !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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! 03-03-09 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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! 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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! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
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! 03-17-16 MLH, Add viscosity model of Cao et al. (2016).
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for o-xylene of Zhou et al. (2012).
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:TRUECRITICALPOINT: 630.259 2.6845 !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 of the equation of state for o-xylene in vapor pressure is
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? estimated to be 0.5% above 300 K. The uncertainty in saturated liquid
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? density is 0.1% below 500 K, and increases to 0.5% at higher temperatures,
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? due to a lack of experimental data. The uncertainties in density of the
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? equation of state range from 0.1% in the compressed-liquid region to 1.0%
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? in the critical and vapor regions. The uncertainty in sound speed is
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? estimated to be 1.0%. The uncertainties in heat of vaporization,
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? saturation heat capacity, and isobaric heat capacity are estimated to be
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? 0.5%, 0.5%, and 1.0%, respectively. In the critical region, the
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? uncertainties are higher for all properties.
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?
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!```````````````````````````````````````````````````````````````````````````````
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247.985 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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70000.0 !Upper pressure limit [kPa]
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8.648 !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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247.985 !Triple point temperature [K]
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0.0228 !Pressure at triple point [kPa]
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8.647 !Density at triple point [mol/L]
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417.521 !Normal boiling point temperature [K]
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0.312 !Acentric factor
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630.259 3737.5 2.6845 !Tc [K], pc [kPa], rhoc [mol/L]
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630.259 2.6845 !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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0.0036765156 1.0 5. 0. !a(i),t(i),d(i),l(i)
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-0.13918171 0.6 1. 0.
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0.014104203 0.91 4. 0.
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1.5398899 0.3 1. 0.
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-2.3600925 0.895 1. 0.
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-0.44359159 1.167 2. 0.
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0.19596977 0.435 3. 0.
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-1.0909408 2.766 1. 2.
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-0.21890801 3.8 3. 2.
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1.1179223 1.31 2. 1.
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-0.93563815 3.0 2. 2.
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-0.018102996 0.77 7. 1.
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1.4172368 1.41 1. 2. 2. -1.1723 -2.442 1.2655 0.552 0. 0. 0.
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-0.57134695 4.8 1. 2. 2. -1.095 -1.342 0.3959 0.728 0. 0. 0.
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-0.081944041 1.856 3. 2. 2. -1.6166 -3.0 0.7789 0.498 0. 0. 0.
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-40.682878 2.0 3. 2. 2. -20.4 -450.0 1.162 0.894 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 o-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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3.748798 0.0
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4.754892 225.0
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6.915052 627.0
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25.84813 1726.0
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10.93886 4941.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for o-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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2.748798 1.0 !ai, ti for [ai*log(tau**ti)] terms
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10.1373795661858708 0.0 !aj, ti for [ai*tau**ti] terms
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-0.9128323735238781 1.0 !aj, ti for [ai*tau**ti] terms
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4.754892 225.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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6.915052 627.0
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25.84813 1726.0
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10.93886 4941.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for o-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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2.748798 1.0 !ai, ti for [ai*log(tau**ti)] terms
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10.137376 0.0 !aj, ti for [ai*tau**ti] terms
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-0.91282993 1.0
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4.754892 -0.3569960921 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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6.915052 -0.9948291099
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25.84813 -2.7385566886
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10.93886 -7.8396341821
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS6 !Pure fluid viscosity model for o-xylene of Cao et al. (2016).
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:DOI: 10.1063/1.4945663
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Cao, F.L., Meng, X.Y., Wu, J.T., and Vesovic, V.,
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? "Reference Correlation of the Viscosity of ortho-Xylene from 273 K to 673 K and up to 110 MPa,"
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? J. Phys. Chem. Ref. Data, 45, 023102, 2016.
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? doi: 10.1063/1.4945663
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?
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?The overall uncertainty of the proposed correlation varies from 1% for the viscosity of gas at atmospheric pressure
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? to 5% for the viscosity at high pressures and temperatures.
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?
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!```````````````````````````````````````````````````````````````````````````````
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247.985 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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70000.0 !Upper pressure limit [kPa]
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8.648 !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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0.22225 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 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
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630.259 2.6845 1.0 !Reducing parameters for T, rho, eta
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35.6539183 0.0 1.0 0. 0
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-46.2668725 -1.0 1.0 0. 0
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11.24608 -2.0 1.0 0. 0
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-0.00205581 0.5 10.966667 0. 0
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0.00265651 -0.3 10.966667 0. 0
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2.38762 0.5 3.966667 0. 0
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1.77616e-12 -3.9 25.666667 0. 0
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10.4497 0.5 2.366667 0. 0
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-18.2446 1.5 1.366667 0. 0
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15.9587 0.5 1.066667 0. 0
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#AUX !---Auxiliary function for the collision integral
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CI3 !Collision integral model for o-xylene of Cao et al. (2016).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Cao, F.L., Meng, X.Y., Wu, J.T., and Vesovic, V., 2016.
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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 o-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 uncertainty for thermal conductivity of liquid and supercritical densities for temperatures
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? from the triple point to 400 K to be 2.6%, and 4% at higher temperatures, and in the dilute-gas region
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? the uncertainty is estimated to be 2%. Uncertainties in the critical region are much larger.
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?
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!```````````````````````````````````````````````````````````````````````````````
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247.985 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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70000.0 !Upper pressure limit [kPa]
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9. !Maximum density [mol/L]
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5 3 !# terms for dilute gas function: numerator, denominator
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630.259 0.001 !Reducing parameters for T, tcx
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-0.837488 0.
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12.7856 1.
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-37.1925 2.
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63.9548 3.
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-4.43443 4.
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0.262226 0.
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-0.490519 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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630.259 2.6845 1. !Reducing parameters for T, rho, tcx
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-0.0346292 0. 1. 0.
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0.0757735 0. 2. 0.
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-0.0674378 0. 3. 0.
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0.027695 0. 4. 0.
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-0.00374238 0. 5. 0.
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0.0455879 1. 1. 0.
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-0.0594473 1. 2. 0.
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0.0550012 1. 3. 0.
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-0.0255522 1. 4. 0.
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0.00418805 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 o-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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0.236e-9 !Xi0 (amplitude) [m]
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0.058 !Gam0 (amplitude) [-]
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0.711e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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945.4 !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 o-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 70 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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247.985 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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70000.0 !Upper pressure limit [kPa]
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9.0 !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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0.5820 !Lennard-Jones coefficient sigma [nm] for ECS method (estimated)
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500.48 !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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2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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0.8148050 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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0.0589219 0. 1. 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 o-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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630.259 !Critical temperature used in fit (dummy)
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0.06477 1.227 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for o-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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630.259 3737.5 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-7.2834 1.0
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-1.5813 1.5
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7.6516 1.9
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-7.9953 2.4
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-2.2277 6.0
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#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for o-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. !
|
||
630.259 2.6845 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
0.9743 0.3
|
||
16.511 0.96
|
||
-52.934 1.4
|
||
87.962 1.9
|
||
-71.719 2.4
|
||
22.569 3.0
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for o-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. !
|
||
630.259 2.6845 !Reducing parameters
|
||
7 0 0 0 0 0 !Number of terms in equation
|
||
-1.29038 0.32
|
||
-33.3428 1.14
|
||
142.046 1.7
|
||
-292.211 2.2
|
||
293.950 2.8
|
||
-159.504 3.5
|
||
-88.2170 9.8
|
||
|
||
|
||
@END
|
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