348 lines
16 KiB
Plaintext
348 lines
16 KiB
Plaintext
Vinyl chloride !Short name
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75-01-4 !CAS number
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Chloroethylene !Full name
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C2H3Cl !Chemical formula {C2H3Cl}
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R-1140 !Synonym
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62.49822 !Molar mass [g/mol]
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119.31 !Triple point temperature [K]
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259.443 !Normal boiling point [K]
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424.964 !Critical temperature [K]
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5590.3 !Critical pressure [kPa]
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5.62 !Critical density [mol/L]
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0.161 !Acentric factor
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1.45103 !Dipole moment [Debye]; Nelson, R.D., Lide, D.R., Maryott, A., NSRDS 10, NBS, Washington, D.C. (1967)
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NBP !Default reference state
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10.0 !Version number
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1086 !UN Number :UN:
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halocb !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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1S/C2H3Cl/c1-2-3/h2H,1H2 !Standard InChI String :InChi:
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BZHJMEDXRYGGRV-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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7b3b4080 (butane) !Alternative fluid for mixing rules :AltID:
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0b34bc40 !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 M. Thol, Thermodynamics, Ruhr-Universitaet Bochum, Germany
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! 14-05-14 MT, Original version.
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! 14-05-14 MT, Add PH0 parameters for NBP.
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! 14-05-14 MT, Add ancillary equations.
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! 07-09-15 MLH, Add preliminary predictive transport models.
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! 12-28-16 MLH, Add preliminary surface tension model.
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! 02-24-17 MLH, Revise transport.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for vinyl chloride of Thol and Span (2014).
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:TRUECRITICALPOINT: 424.964 5.62 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
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:DOI:
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M. and Span, R.,
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? unpublished equation, 2014.
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?
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!```````````````````````````````````````````````````````````````````````````````
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190.0 !Lower temperature limit [K]
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450.0 !Upper temperature limit [K]
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10000. !Upper pressure limit [kPa]
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19.24 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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62.49822 !Molar mass [g/mol]
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119.31 !Triple point temperature [K]
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0.0000649 !Pressure at triple point [kPa]
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19.23 !Density at triple point [mol/L]
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259.443 !Normal boiling point temperature [K]
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0.161 !Acentric factor
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424.964 5590.3 5.62 !Tc [K], pc [kPa], rhoc [mol/L]
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424.964 5.62 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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10 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.027915646 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.56343 0.2 1. 0.
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-1.98447 0.76 1. 0.
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-0.618706 1.076 2. 0.
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0.160016 0.49 3. 0.
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-0.987704 1.52 1. 2.
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-0.363759 2.93 3. 2.
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0.820064 1.16 2. 1.
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-0.380335 2.56 2. 2.
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-0.00952795 1.0 7. 1.
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0.583237 0.82 1. 2. 2. -1.02 -1.34 1.12 0.717 0. 0. 0.
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-0.201067 0.86 1. 2. 2. -1.42 -1.62 0.65 0.921 0. 0. 0.
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-0.153546 2.3 3. 2. 2. -1.0 -1.0 0.5 0.69 0. 0. 0.
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-0.519717 4.8 3. 2. 2. -7.92 -91.6 1.26 0.763 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 vinyl chloride of Thol and Span (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M. and Span, R., 2014.
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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 8.3144598 !Reducing parameters for T, Cp0
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1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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3.354 804.0
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3.182 4413.0
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5.49 1732.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for vinyl chloride of Thol and Span (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M. and Span, R., 2014.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-3.3865186621427483 0.0 !aj, ti for [ai*tau**ti] terms
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3.5879604773698586 1.0 !aj, ti for [ai*tau**ti] terms
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3.354 804.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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3.182 4413.0
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5.49 1732.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for vinyl chloride of Thol and Span (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M. and Span, R., 2014.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-3.3865189396 0.0 !aj, ti for [ai*tau**ti] terms
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3.5879606473 1.0
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3.354 -1.8919249631 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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3.182 -10.3844090323
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5.49 -4.0756393483
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (R134a reference) extremely limited data for vinyl chloride.
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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 is 10% for viscosity in the gas and liquid phases.
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? Data sources: Miller, S.A., "Acetylene, its Properties, Manufacture and Uses," Volume II, 1966, New York and London: Academic Press.
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?
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?THERMAL CONDUCTIVITY
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? Estimated uncertainty is 10% for thermal conductivity in the gas and liquid phases.
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? Data sources: Senftleben, H., "New Measured Values of Thermal Conductivity and Specific Heat at Different Temperatures for a Series of Gases," Z. Angew. Phys., 17(2):86, 1964.
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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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190.0 !Lower temperature limit [K]
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450.0 !Upper temperature limit [K]
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10000.0 !Upper pressure limit [kPa]
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19.24 !Maximum density [mol/L]
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FEQ R134A.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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BIG !Large molecule identifier
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1.06 0. 0. 0. !Large molecule parameters
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.455 !Lennard-Jones coefficient sigma [nm]
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337.46 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
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2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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4.68338e-4 0. 0. 0. !Coefficient, power of T, spare1, spare2
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1.55637e-6 1. 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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0.991393 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.0190085 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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#AUX !---Auxiliary function for the thermal conductivity critical enhancement
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TK3 !Simplified thermal conductivity critical enhancement for vinyl chloride 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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0.195e-9 !Xi0 (amplitude) [m]
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0.059 !Gam0 (amplitude) [-]
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0.551e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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637.45 !Tref (reference temperature) [K]
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********************************************************************************
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@TCX !---Thermal conductivity---
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TC5 !Pure fluid thermal conductivity model for vinyl chloride of Chung et al. (1988).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Chung, T-H., Ajlan, M., Lee, L.L. and Starling, K.E.
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? "Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties"
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? Ind. Eng. Chem. Res. 1998, 27, 671-679.
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?
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!```````````````````````````````````````````````````````````````````````````````
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190.0 !Lower temperature limit [K]
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450.0 !Upper temperature limit [K]
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10000. !Upper pressure limit [kPa]
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19.24 !Maximum density [mol/L]
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0.455 !Lennard-Jones coefficient sigma [nm]=0.809vc*(1/3)A
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337.46 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593
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0.161 0. 0. !w, mur, kappa for Chung
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0 !Additional parameters for Chung
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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 vinyl chloride of Huber (2018).
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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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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?Estimated uncertainty 5%.
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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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424.964 !Critical temperature used in fit (dummy)
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0.0655789 1.16473 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for vinyl chloride of Thol and Span (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol and Span, 2014.
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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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424.964 5590.3 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-6.9978 1.0
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2.3668 1.5
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-1.92 2.12
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-2.525 4.45
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-78.9 31.0
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for vinyl chloride of Thol and Span (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol and Span, 2014.
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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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424.964 5.62 !Reducing parameters
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4 0 0 0 0 0 !Number of terms in equation
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1.5668 0.3
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1.655 0.83
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-1.03 1.5
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0.87 2.6
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for vinyl chloride of Thol and Span (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol and Span, 2014.
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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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424.964 5.62 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-1.7237 0.3
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-4.431 0.853
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-12.02 2.39
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-35.585 5.43
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-57.6 10.6
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-144.0 20.0
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@END
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c 1 2 3 4 5 6 7 8
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c2345678901234567890123456789012345678901234567890123456789012345678901234567890
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