330 lines
15 KiB
Plaintext
330 lines
15 KiB
Plaintext
Carbonyl sulfide !Short name
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463-58-1 !CAS number
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Carbon oxide sulfide !Full name
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COS !Chemical formula {COS}
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Carbon oxysulfide !Synonym
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60.0751 !Molar mass [g/mol]
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134.3 !Triple point temperature [K]
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222.99 !Normal boiling point [K]
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378.77 !Critical temperature [K]
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6370.0 !Critical pressure [kPa]
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7.41 !Critical density [mol/L]
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0.0978 !Acentric factor
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0.7152 !Dipole moment [Debye]; J.S. Muenter, J. Chem. Phys., 48, 4544 (1968)
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NBP !Default reference state
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10.0 !Version number
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2204 !UN Number :UN:
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other !Family :Family:
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548.23 !Heating value (upper) [kJ/mol] :Heat:
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1S/COS/c2-1-3 !Standard InChI String :InChi:
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JJWKPURADFRFRB-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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7b3b4080 (butane) !Alternative fluid for mixing rules :AltID:
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e7f902e0 !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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! 08-22-01 EWL, Original version.
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! 10-24-02 EWL, Add surface tension fit.
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! 01-15-04 EWL, Update equation of state.
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! 06-17-10 CKL, Add ancillary equations.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 04-19-16 MLH, Add predictive transport.
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! 02-09-17 MLH, Revise transport.
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! 02-19-18 MLH, Fixed typo in TK3 block
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for carbonyl sulfide of Lemmon and Span (2006).
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:TRUECRITICALPOINT: 378.77 7.41 !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 the equation of state are 0.1% in density in the liquid phase
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? below 450 K, 1% in density at temperatures between 450 and 500 K, 3% in
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? density at temperatures above 500 K, 1% in density in the vapor phase and
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? at supercritical conditions below 10 MPa and 450 K, 0.5% in vapor pressure,
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? and 2% in isobaric heat capacity. There are no speed of sound data to
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? ascertain its uncertainty.
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?
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!```````````````````````````````````````````````````````````````````````````````
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134.3 !Lower temperature limit [K]
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650.0 !Upper temperature limit [K]
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50000.0 !Upper pressure limit [kPa]
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22.52 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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60.0751 !Molar mass [g/mol]
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134.3 !Triple point temperature [K]
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0.06443 !Pressure at triple point [kPa]
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22.5 !Density at triple point [mol/L]
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222.99 !Normal boiling point temperature [K]
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0.0978 !Acentric factor
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378.77 6370.0 7.41 !Tc [K], pc [kPa], rhoc [mol/L]
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378.77 7.41 !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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0.94374 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.5348 1.125 1. 0.
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0.59058 1.5 1. 0.
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-0.021488 1.375 2. 0.
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0.082083 0.25 3. 0.
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0.00024689 0.875 7. 0.
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0.21226 0.625 2. 1.
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-0.041251 1.75 5. 1.
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-0.22333 3.625 1. 2.
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-0.050828 3.625 4. 2.
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-0.028333 14.5 3. 3.
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0.016983 12.0 4. 3.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for carbonyl sulfide 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 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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3.5 0.0
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2.1651 768.0
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0.93456 1363.0
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1.0623 3175.0
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0.34269 12829.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for carbonyl sulfide 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 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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2.5 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-3.6587437697006173 0.0 !aj, ti for [ai*tau**ti] terms
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3.734923786344587 1.0 !aj, ti for [ai*tau**ti] terms
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2.1651 768.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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0.93456 1363.0
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1.0623 3175.0
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0.34269 12829.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for carbonyl sulfide.
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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 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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2.5 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-3.6587449805 0.0 !aj, ti for [ai*tau**ti] terms
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3.7349245016 1.0
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2.1651 -2.0276157035 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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0.93456 -3.5984898487
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1.0623 -8.3823956491
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0.34269 -33.8701586715
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Propane reference) fit to extremely limited or predicted data for carbonyl sulfide.
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
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?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension
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? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018.
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? doi: 10.6028/NIST.IR.8209
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?
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?VISCOSITY
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?Estimated uncertainty in the gas phase is <10%, based on comparisons with the data of
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? Smith, C.J., "On the Viscosity and Molecular Dimentions of Gaseous Carbon Oxysulfide," Philos. Mag., 44, 389-292, 1922. Estimated uncertainty in the liquid phase is <50%, no data are available for comparison, totally predictive values.
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?
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?THERMAL CONDUCTIVITY
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?Estimated uncertainty in the gas phase is difficult to assess due to lack of
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? experimental data, estimated to be 25%; predictive values. Estimated uncertainty
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? in the liquid phase is difficult to assess due to lack of experimental data,
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? estimated to be <50%, predictive values.
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?
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?The Lennard-Jones parameters were taken from Hirschfelder, J.O., Curtiss, C.F., and Bird, R.B., "Molecular Theory of Gases and Liquids," John Wiley and Sons, Inc., New York, 1245 pp, 1954. doi: 10.1002/pol.1955.120178311
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?
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!```````````````````````````````````````````````````````````````````````````````
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134.3 !Lower temperature limit [K]
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650.0 !Upper temperature limit [K]
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50000.0 !Upper pressure limit [kPa]
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22.52 !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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0.413 !Lennard-Jones coefficient sigma [nm]
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335.0 !Lennard-Jones coefficient epsilon/kappa [K]
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1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.00125 0. 0. 0. !Coefficient, power of T, spare1, spare2
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1 0 0 !Number of terms in psi (visc 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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1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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0.95 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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#AUX !---Auxiliary function for the thermal conductivity critical enhancement
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TK3 !Simplified thermal conductivity critical enhancement for carbonyl sulfide 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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0.182e-9 !Xi0 (amplitude) [m]
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0.056 !Gam0 (amplitude) [-]
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0.5e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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568.16 !Tref (reference temperature)=1.5*Tc [K]
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for carbonyl sulfide of Mulero et al. (2012).
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:DOI: 10.1063/1.4768782
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mulero, A., Cachadiña, I., and Parra, M.I.,
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? "Recommended Correlations for the Surface Tension of Common Fluids,"
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? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782
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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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378.77 !Critical temperature used in fit (dummy)
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0.07246 1.407 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for carbonyl sulfide of Lemmon (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, C.K. and Lemmon, E.W., 2010.
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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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378.77 6370 !Reducing parameters
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4 0 0 0 0 0 !Number of terms in equation
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-6.7055 1.0
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3.4248 1.5
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-2.6677 1.78
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-2.4717 4.8
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for carbonyl sulfide of Lemmon (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, C.K. and Lemmon, E.W., 2010.
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?
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?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? 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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378.77 7.41 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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7.6592 0.515
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-19.226 0.767
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27.883 1.034
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-23.637 1.4
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9.9803 1.7
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for carbonyl sulfide of Lemmon (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, C.K. and Lemmon, E.W., 2010.
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?
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?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? 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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378.77 7.41 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-3.2494 0.423
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-7.1460 1.464
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35.026 5.3
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-34.039 4.1
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-64.206 7.0
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-152.25 17.0
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@END
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