638 lines
32 KiB
Plaintext
638 lines
32 KiB
Plaintext
Propylene !Short name
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115-07-1 !CAS number
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Propene !Full name
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CH2=CH-CH3 !Chemical formula {C3H6}
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R-1270 !Synonym
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42.07974 !Molar mass [g/mol]
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87.953 !Triple point temperature [K]
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225.531 !Normal boiling point [K]
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364.211 !Critical temperature [K]
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4555.0 !Critical pressure [kPa]
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5.457 !Critical density [mol/L]
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0.146 !Acentric factor
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0.366 !Dipole moment [Debye]; R.D. Nelson, D.R. Lide, and A.A. Maryott, "Selected Values of Electric Dipole Moments for Molecules in the Gas Phase," NSRDS-NBS 10, National Reference Data Series, US Government Printing Office, Washington, 1967.
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IIR !Default reference state
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10.0 !Version number
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1075, 1077 !UN Number :UN:
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n-alkene !Family :Family:
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2058.02 !Heating value (upper) [kJ/mol] :Heat:
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1.8 !GWP (IPCC 2007) :GWP:
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1000. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL:
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A3 !Safety Group (ASHRAE Standard 34, 2010) :Safety:
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1S/C3H6/c1-3-2/h3H,1H2,2H3 !Standard InChI String :InChi:
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QQONPFPTGQHPMA-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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70c6aac0 (propane) !Alternative fluid for mixing rules :AltID:
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56d778b0 !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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! 06-09-97 EWL, Original version.
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! 05-22-02 MLH, Add ECS fits for k, eta; ref. fluid changed to propane.
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! 04-19-04 AHH, Change dipole moment.
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! 10-14-04 MLH, Add family.
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! 12-05-06 EWL, Add melting line.
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! 04-03-07 EWL, Add equation of Overhoff.
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! 05-21-07 EWL, Add ancillaries.
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! 09-07-10 EWL, Add equation of state of Lemmon et al.
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! 10-06-10 MLH, Update limits on transport to match current EOS and switch to TK3.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 08-28-15 MLH, Revise TK3 to be consitstent with Perkins et al. (2013),added dummy TK1 block.
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! 04-04-16 MLH, Add new thermal conductivity model of Koutian et al. (2016).
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! 08-06-17 EWL, Change melting point at Ttrp to match triple point pressure of Lemmon et al.
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! 11-21-17 MLH, Revise viscosity.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for propylene of Lemmon et al. (2018).
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:TRUECRITICALPOINT: 364.211 5.457 !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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?Lemmon, E.W., McLinden, M.O., Overhoff, U., and Wagner, W.,
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? "A Reference Equation of State for Propylene for Temperatures from the Melting
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? Line to 575 K and Pressures up to 1000 MPa,"
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? to be submitted to J. Phys. Chem. Ref. Data, 2018.
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?
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?The uncertainties below 400 K in density are 0.02% in the liquid and vapor
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? phases (including saturated states for both phases) at pressures up to 30 MPa.
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? At higher temperatures or higher pressures, the uncertainties increase
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? to 0.1% in density. Near the critical point the uncertainties
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? in density increase as the critical point is approached. However, in
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? this same region, the uncertainty in pressure calculated from density and
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? temperature is 0.1%.
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?
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?The uncertainties in the speed of sound are 0.05% in the liquid phase between
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? 260 and 420 K and 0.1% elsewhere in the liquid phase. The uncertainty in the
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? vapor phase is unknown due to a lack of data, but is estimated to be less than
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? 0.2%. The uncertainties in vapor pressure are 0.02% above 150 K, and increase
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? steadily below 150 K. Below 110 K, vapor pressures are less than 1 Pa and the
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? uncertainty may be considerably larger at the triple point. Uncertainties in
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? heat capacities are 1%, and higher in the supercritical region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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87.953 !Lower temperature limit [K]
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575.0 !Upper temperature limit [K]
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1000000.0 !Upper pressure limit [kPa]
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23.1 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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42.07974 !Molar mass [g/mol]
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87.953 !Triple point temperature [K]
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0.0000007471 !Pressure at triple point [kPa]
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18.255 !Density at triple point [mol/L]
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225.531 !Normal boiling point temperature [K]
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0.146 !Acentric factor
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364.211 4555.0 5.457 !Tc [K], pc [kPa], rhoc [mol/L]
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364.211 5.457 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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12 4 9 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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0.04341002 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.136592 0.205 1. 0.
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-0.8528611 0.56 1. 0.
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0.5216669 0.676 2. 0.
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-1.382953 1.0 2. 0.
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0.1214347 0.5 3. 0.
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-0.5984662 1.0 1. 1.
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-1.391883 1.94 1. 2.
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-1.008434 2.0 3. 2.
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0.1961249 1.0 2. 1.
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-0.360693 2.66 2. 2.
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-0.002407175 0.83 8. 1.
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0.7432121 1.6 1. 2. 2. -1.07 -0.77 1.21 0.78 0. 0. 0.
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0.1475162 2.5 1. 2. 2. -0.66 -0.83 1.08 0.82 0. 0. 0.
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-0.02503391 3.0 2. 2. 2. -1.2 -0.607 0.83 1.94 0. 0. 0.
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-0.2734409 2.5 3. 2. 2. -1.12 -0.4 0.56 0.69 0. 0. 0.
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0.006378889 2.72 3. 2. 2. -1.47 -0.66 1.22 1.96 0. 0. 0.
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0.0150294 4.0 2. 2. 2. -1.93 -0.07 1.81 1.3 0. 0. 0.
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-0.03162971 4.0 1. 2. 2. -3.3 -3.1 1.54 0.38 0. 0. 0.
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-0.04107194 1.0 2. 2. 2. -15.4 -387.0 1.12 0.91 0. 0. 0.
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-1.190241 4.0 3. 2. 2. -6.0 -41.0 1.4 0.7 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 propylene of Lemmon et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W., McLinden, M.O., Overhoff, U., and Wagner, W., 2018.
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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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4.0 0.0
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1.544 324.0
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4.013 973.0
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8.923 1932.0
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6.02 4317.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for propylene of Lemmon et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W., McLinden, M.O., Overhoff, U., and Wagner, W., 2018.
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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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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-5.1823353913028285 0.0 !aj, ti for [ai*tau**ti] terms
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4.3639943544853246 1.0 !aj, ti for [ai*tau**ti] terms
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1.544 324.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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4.013 973.0
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8.923 1932.0
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6.02 4317.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for propylene of Lemmon et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W., McLinden, M.O., Overhoff, U., and Wagner, W., 2018.
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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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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-5.1823279651 0.0 !aj, ti for [ai*tau**ti] terms
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4.3639902765 1.0
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1.544 -0.8895942187 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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4.013 -2.6715283174
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8.923 -5.3046173784
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6.02 -11.8530192663
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for propylene of Overhoff (2006).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Overhoff, U.
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? "Development of a new equation of state for the fluid region of propene for
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? temperatures from the melting line to 575 K with pressures to 1000 MPa as well
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? as software for the computation of thermodynamic properties of fluids,"
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? Ph.D. Dissertation, Ruhr University, Bochum, Germany, 2006.
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?
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?The uncertainties in density are 0.02% to 0.05% for temperatures less than 340 K
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? and pressures less than 15 MPa, and increase to 0.5% for most conditions
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? outside of this region. In the critical region, the uncertainty in pressure
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? is 0.3%. The uncertainties in the speed of sound range from 0.5% to 2% for
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? pressures less than 100 MPa. At higher pressures and in the critical region, the
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? uncertainty is 5%. The uncertainties in heat capacities are generally within
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? 3%, decreasing to 1% at the lowest pressures in the vapor phase; above 200 MPa
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? and in the critical region, the uncertainty is 5%. The uncertainty in vapor
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? pressure is 0.01%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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87.953 !Lower temperature limit [K]
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575.0 !Upper temperature limit [K]
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1000000.0 !Upper pressure limit [kPa]
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23.4 !Maximum density [mol/L]
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PH1 !Pointer to Cp0 model
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42.07974 !Molar mass [g/mol]
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87.953 !Triple point temperature [K]
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0.00000074 !Pressure at triple point [kPa]
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18.26 !Density at triple point [mol/L]
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225.53 !Normal boiling point temperature [K]
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0.146 !Acentric factor
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364.211 4555.0 5.46771439 !Tc [K], pc [kPa], rhoc [mol/L]
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364.211 5.46771439 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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25 4 7 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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1.1167427541961 0.125 1. 0.
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-0.76114879497376 0.625 1. 0.
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-1.8654354344883 1.25 1. 0.
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0.041500701892893 0.0 3. 0.
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0.010706545719025 0.25 4. 0.
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0.017481482892991 1.25 4. 0.
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0.56509607629258 2.25 2. 1.
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0.99156795771235 1.25 3. 1.
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-0.16341922173416 2.125 3. 1.
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-0.037037920319844 2.75 3. 1.
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-0.080058345775777 0.125 4. 1.
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0.17004662808796 2. 4. 1.
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0.081351262137108 1.125 5. 1.
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-0.23817885171378 1.5 5. 1.
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0.012962562859214 1.375 6. 1.
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22.577442976798 3.5 1. 2.
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-43.611886043491 3.75 1. 2.
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21.944325628071 4.0 1. 2.
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-0.66234078215924 5.0 1. 2.
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-2.2258580712469 3.0 2. 2.
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2.9538388307646 3.5 2. 2.
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-1.0257185828694 4.5 2. 2.
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0.020521625234481 4.75 5. 2.
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-0.036462809205891 3.25 6. 2.
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0.017625833164005 3.0 1. 3.
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0.31819374579431 3.0 2. 2. 2. -10.0 -150.0 1.13 0.85 0. 0. 0.
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-0.32648950998998 4.0 2. 2. 2. -10.0 -150.0 1.13 0.85 0. 0. 0.
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-37.684374593786 2.0 1. 2. 2. -11.0 -225.0 1.19 1.0 0. 0. 0.
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72.265437094447 3.0 1. 2. 2. -11.0 -225.0 1.19 1.0 0. 0. 0.
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-34.814669335983 4.0 1. 2. 2. -11.0 -225.0 1.19 1.0 0. 0. 0.
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-3.9854778355193 1.0 2. 2. 2. -25.0 -300.0 1.19 1.0 0. 0. 0.
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0.37313453915501 1.0 2. 2. 2. -30.0 -350.0 1.16 1.0 0. 0. 0.
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@AUX !---Auxiliary function for PH0
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PH1 !Ideal gas Helmholtz form for propylene of Overhoff (2006).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Overhoff, U.
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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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3.07317535 1.0 !ai, ti for [ai*log(tau**ti)] terms
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9.48120502357782 0.0 !aj, ti for [ai*tau**ti] terms
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-4.47976952867319 1.0
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1.7018443 -1.01164134251849 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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3.61342025 -2.75278088800174
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8.83689058 -5.16557061703243
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6.27183616 -11.68984352477
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@EOS !---Equation of state---
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FE2 !Helmholtz equation of state for propylene of Angus et al. (1980).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Angus, S., Armstrong, B., and de Reuck, K.M.,
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? "International Thermodynamic Tables of the Fluid State-7 Propylene,"
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? International Union of Pure and Applied Chemistry, Pergamon Press,
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? Oxford, 1980.
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?
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?The uncertainties of the equation of state are generally 0.1% in
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? density (except in the critical region), 1% in the heat capacity in the
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? vapor phase, and 2-5% in the heat capacity in the liquid phase.
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?
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!```````````````````````````````````````````````````````````````````````````````
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100.0 !Lower temperature limit [K]
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600.0 !Upper temperature limit [K]
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200000.0 !Upper pressure limit [kPa]
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19.73 !Maximum density [mol/L]
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CP2 !Pointer to Cp0 model
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42.0804 !Molar mass [g/mol]
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87.95 !Triple point temperature [K]
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0.48475e-4 !Pressure at triple point [kPa]
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17.938 !Density at triple point [mol/L]
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225.460 !Normal boiling point temperature [K]
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0.1408 !Acentric factor
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365.57 4664.6 5.3086 !Tc [K], pc [kPa], rhoc [mol/L]
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365.57 5.3086 !Reducing parameters [K, mol/L]
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8.31434 !Gas constant [J/mol-K]
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32 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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0.63192268146 3.0 0. 0. !a(i),t(i),d(i),l(i)
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0.102655250604 4.0 0. 0.
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-0.0070798923 5.0 0. 0.
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||
0.18624829 1.0 1. 0.
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||
-1.292611017 2.0 1. 0.
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-0.05410160974 3.0 1. 0.
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0.5069017035 0.0 2. 0.
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-1.0606146125 1.0 2. 0.
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0.763136083 2.0 2. 0.
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-0.0850733053 2.0 3. 0.
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0.438262575 3.0 3. 0.
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0.02316495716 0.0 4. 0.
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0.025503741325 1.0 4. 0.
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-0.57327581 3.0 4. 0.
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-0.01141334722 -1.0 4. 0.
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0.2502895522 3.0 5. 0.
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-0.0468392547833 3.0 6. 0.
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0.00325228355714 3.0 7. 0.
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-0.63192268146 3.0 0. 2.
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-0.102655250604 4.0 0. 2.
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0.0070798923 5.0 0. 2.
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-0.63192268146 3.0 2. 2.
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-0.102655250604 4.0 2. 2.
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-0.11049992895 5.0 2. 2.
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-0.31596134073 3.0 4. 2.
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-0.051327625302 4.0 4. 2.
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-0.04918627871 3.0 6. 2.
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-0.017109208434 4.0 6. 2.
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-0.01492467645 3.0 8. 2.
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-0.0042773021085 4.0 8. 2.
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-0.0008554604217 4.0 10. 2.
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-0.00014257673695 4.0 12. 2.
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@AUX !---Auxiliary function for Cp0
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CP2 !Ideal gas heat capacity function for propylene of Angus et al. (1980).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Angus, S., Armstrong, B., and de Reuck, K.M.,
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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 8.31434 !Reducing parameters for T, Cp0
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6 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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0.65591381 0.0
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0.044359641 1.0
|
||
-0.000036650786 2.0
|
||
0.16822223e-7 3.0
|
||
-0.32651013e-11 4.0
|
||
3374.7826 -2.0
|
||
-4.703242 615.8
|
||
|
||
|
||
|
||
|
||
================================================================================
|
||
|
||
#TCX !---Thermal conductivity---
|
||
TC1 !Pure fluid thermal conductivity model for propylene of Assael et al. (2016).
|
||
:DOI: 10.1063/1.4958984
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Assael, M.J., Koutian, A., Huber, M.L., and Perkins, R.A.,
|
||
? "Reference Correlations of the Thermal Conductivity of Ethylene and Propylene,"
|
||
? J. Phys. Chem. Ref. Data, 45(3), 033104, 2016.
|
||
? doi: 10.1063/1.4958984
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
87.953 !Lower temperature limit [K]
|
||
575.0 !Upper temperature limit [K]
|
||
1000000.0 !Upper pressure limit [kPa]
|
||
23.1 !Maximum density [mol/L]
|
||
6 3 !# terms for dilute gas function: numerator, denominator
|
||
364.211 0.001 !Reducing parameters for T, tcx
|
||
-1.37218 0.
|
||
17.3386 1.
|
||
-3.27682 2.
|
||
9.34452 3.
|
||
12.88 4.
|
||
-1.5705 5.
|
||
1.393679 0.
|
||
-1.04648 1.
|
||
1.0 2.
|
||
10 0 !# terms for background gas function: numerator, denominator
|
||
364.211 5.457 1. !Reducing parameters for T, rho, tcx
|
||
0.00271511 0. 1. 0.
|
||
-0.0363839 0. 2. 0.
|
||
0.106159 0. 3. 0.
|
||
-0.0616755 0. 4. 0.
|
||
0.0105424 0. 5. 0.
|
||
0.00994697 1. 1. 0.
|
||
0.0242705 1. 2. 0.
|
||
-0.0659429 1. 3. 0.
|
||
0.0379916 1. 4. 0.
|
||
-0.0056912 1. 5. 0.
|
||
TK3 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
#AUX !---Auxiliary function for the thermal conductivity critical enhancement
|
||
TK3 !Simplified thermal conductivity critical enhancement for propylene of Assael et al. (2016).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Assael, M.J., Koutian, A., Huber, M.L., and Perkins, R.A., 2016.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
9 0 0 0 !# terms: terms, spare, spare, spare
|
||
1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
|
||
0.63 !Nu (universal exponent)
|
||
1.239 !Gamma (universal exponent)
|
||
1.02 !R0 (universal amplitude)
|
||
0.065 !Z (universal exponent--not used for t.c., only viscosity)
|
||
1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
|
||
0.198e-9 !Xi0 (amplitude) [m]
|
||
0.057 !Gam0 (amplitude) [-]
|
||
0.43e-9 !Qd_inverse (modified effective cutoff parameter) [m]
|
||
546.32 !Tref (reference temperature) [K]
|
||
|
||
|
||
|
||
|
||
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||
|
||
@TRN !---ECS Transport---
|
||
ECS !Extended Corresponding States model (Propane reference); fitted to data for propylene.
|
||
:DOI: 10.6028/NIST.IR.8209
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Huber, M.L., (2018) "Models for the Viscosity, Thermal Conductivity, and
|
||
? Surface Tension of Selected Pure Fluids as Implemented in REFPROP v10.0",
|
||
? NISTIR 8209; doi: 10.6028/NIST.IR.8209
|
||
?
|
||
?The propane EOS used as a reference fluid is Lemmon et al. (2009).
|
||
?
|
||
?THERMAL CONDUCTIVITY
|
||
? The ECS parameters for thermal conductivity were based in part on the data of:
|
||
? Naziev, Ya. M. and Abasav, A. A. (1969). A Study of the thermal conductivities of gaseous unsaturated hydrocarbons at atmospheric pressure and various temperatures. Int. Chem. Engineering, 9:631-633.
|
||
? Neduzij, I. A., and Kravets, V. A. (1967). Investigation of the thermal conductivity of ethylene and propylene. Thermophysical properties of hydrocarbons and their mixtures, KTILP: Kiev
|
||
? Naziev, Ya. M. and Abasav, A. A. (1970). Investigation of the thermal conductivity of propylene. Khim. Tech. Topliv Masel, 3:22-26.
|
||
? Swift, G. W. and Migliori, A. (1984). Measurement of the thermal conductivity and viscosity if liquid propylene. J. Chem. Eng. Data, 29:56-9.
|
||
? Average absolute deviations of the fit from the experimental data are:
|
||
? Naziev (1969)(gas phase): 0.45%; Neduzij: 2.82%; Naziev (1970): 2.62%; Swift: 10.45%;
|
||
?
|
||
?VISCOSITY
|
||
? The ECS parameters for viscosity were based in part on the data of:
|
||
? Galkov, G. I. and Gerf, S.F. (1941). The viscosity coefficient of propene along the saturated line, Zh. Tekh. Fiz.,11:613-5.
|
||
? Neduzij, I. A. and Khmara, Yu. I. (1968). Investigation of the viscosity coefficients of propene, isobutylene, butadiene-1,3 toluene and cyclohexane along the saturated line. Teplofiz. Kharakt. Veschestv, Collect. No. 1158-60 Rabinovich, V.A. Editor, Standards publishers, Moscow
|
||
? Golubev, I. F. (1959). Viscosity of gases and gas mixtures, Fizmat Press:Moscow, Table 30.
|
||
? Average absolute deviations of the fit from the experimental data are:
|
||
? Galkov: 1.7%; Neduzij: 5.5%; Golubev: 3.7%
|
||
?
|
||
?The Lennard-Jones parameters were taken from Reid, R.C., Prausnitz, J.M., and Poling, B.E., "The Properties of Gases and Liquids," 4th edition, New York, McGraw-Hill Book Company, 1987.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
87.953 !Lower temperature limit [K]
|
||
575.0 !Upper temperature limit [K]
|
||
1000000.0 !Upper pressure limit [kPa]
|
||
23.4 !Maximum density [mol/L]
|
||
FEQ PROPANE.FLD
|
||
VS1 !Model for reference fluid viscosity
|
||
TC1 !Model for reference fluid thermal conductivity
|
||
NUL !Large molecule identifier
|
||
1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
|
||
0.4678 !Lennard-Jones coefficient sigma [nm] for ECS method
|
||
298.9 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|
||
2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
|
||
0.00109667 0. 0. 0. !Coefficient, power of T, spare1, spare2
|
||
3.75628e-7 1. 0. 0. !Coefficient, power of T, spare1, spare2
|
||
4 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
|
||
1.135460 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
-2.32208e-2 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
-4.47703e-2 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
1.21815e-2 0. 3. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
|
||
1.3529 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
-0.12348 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
TK3 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
|
||
|
||
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||
|
||
#STN !---Surface tension---
|
||
ST1 !Surface tension model for propylene of Mulero et al. (2012).
|
||
:DOI: 10.1063/1.4768782
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Mulero, A., Cachadi<64>a, I., and Parra, M.I.,
|
||
? "Recommended Correlations for the Surface Tension of Common Fluids,"
|
||
? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
1 !Number of terms in surface tension model
|
||
364.211 !Critical temperature used in fit (dummy)
|
||
0.05268 1.186 !Sigma0 and n
|
||
|
||
|
||
#MLT !---Melting line---
|
||
ML1 !Melting line model for propylene of Reeves et al. (1964).
|
||
:DOI: 10.1063/1.1725068
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Reeves, L.E., Scott, G.J., and Babb, S.E., Jr.,
|
||
? "Melting Curves of Pressure-Transmitting Fluids,"
|
||
? J. Chem. Phys., 40(12):3662-6, 1964.
|
||
?
|
||
?Coefficients have been modified, 2006.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
87.953 !Lower temperature limit [K]
|
||
2000.0 !Upper temperature limit [K]
|
||
0. !
|
||
0. !
|
||
87.953 7.471e-7 !Reducing temperature and pressure
|
||
2 0 0 0 0 0 !Number of terms in melting line equation
|
||
-6593000000.0 0.0 !Coefficients and exponents
|
||
6593000001.0 2.821
|
||
|
||
|
||
#PS !---Vapor pressure---
|
||
PS5 !Vapor pressure equation for propylene of Lemmon et al. (2018).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
|
||
? are the reducing parameters below, which are followed by rows containing Ni and ti.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
364.211 4555.0 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-6.75625 1.0
|
||
2.027 1.5
|
||
-1.35883 1.9
|
||
-2.74671 4.3
|
||
-0.936445 15.0
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for propylene of Lemmon et al. (2018).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?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. !
|
||
364.211 5.457 !Reducing parameters
|
||
4 0 0 0 0 0 !Number of terms in equation
|
||
0.405430 0.195
|
||
2.02481 0.47
|
||
0.304022 2.25
|
||
0.179159 8.0
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for propylene of Lemmon et al. (2018).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?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. !
|
||
364.211 5.457 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
-1.59841 0.309
|
||
-4.73840 0.853
|
||
-10.8886 2.37
|
||
-31.0312 5.2
|
||
-56.9431 10.0
|
||
-143.544 20.0
|
||
|
||
|
||
@END
|
||
c 1 2 3 4 5 6 7 8
|
||
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
||
|
||
|
||
@AUX !---Thermal conductivity critical enhancement model
|
||
TK3 simplified thermal conductivity critical enhancement of Olchowy and Sengers (1989).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Olchowy, G.A. and Sengers, J.V.,
|
||
? "A simplified representation for the thermal conductivity of fluids in the critical region,"
|
||
? Int. J. Thermophysics, 10:417-426, 1989. doi: 10.1007/BF01133538
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
9 0 0 0 !# terms: CO2-terms, spare, spare, spare
|
||
1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
|
||
0.63 !Nu (universal exponent)
|
||
1.239 !gamma (universal exponent)
|
||
1.03 !R0 (universal amplitude)
|
||
0.063 !Z (universal exponent--not used for t.c., only viscosity)
|
||
1.0 !c (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
|
||
0.194e-9 !xi0 (amplitude) [m]
|
||
0.0496 !gam0 (amplitude) [-]
|
||
0.5e-9 !qd_inverse (modified effective cutoff parameter) [m]; generic number, not fitted to data
|
||
548.36 !Tref (reference temperature)=1.5*Tc [K]
|