409 lines
21 KiB
Plaintext
409 lines
21 KiB
Plaintext
R218 !Short name
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76-19-7 !CAS number
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Octafluoropropane !Full name
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CF3CF2CF3 !Chemical formula {C3F8}
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Perfluoropropane !Synonym
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188.01933 !Molar mass [g/mol]
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125.45 !Triple point temperature [K]
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236.36 !Normal boiling point [K]
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345.02 !Critical temperature [K]
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2640.0 !Critical pressure [kPa]
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3.34 !Critical density [mol/L]
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0.3172 !Acentric factor
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0.0 !Dipole moment [Debye]; ab-initio calculations from HF 3-21G
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IIR !Default reference state
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10.0 !Version number
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2424 !UN Number :UN:
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halocb !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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8830. !GWP (IPCC 2007) :GWP:
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90000. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL:
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A1 !Safety Group (ASHRAE Standard 34, 2010) :Safety:
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1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11 !Standard InChI String :InChi:
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QYSGYZVSCZSLHT-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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00bd3610 !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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! 05-08-98 EWL, Original version.
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! 10-13-99 EWL, Add Span and Lemmon equation.
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! 05-23-02 MLH, Revise transport.
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! 03-13-03 EWL, Update cp0 equation.
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! 01-29-03 EWL, Revise EOS fit.
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! 04-19-04 MLH, Update transport reference.
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! 08-17-10 IDC, Add ancillary equations.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 01-03-16 MLH, Update critical block.
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! 04-10-17 MLH, Update thermal conductivity, viscosity with new EOS.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for R-218 of Lemmon and Span (2006).
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:TRUECRITICALPOINT: 345.02 3.34 !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 uncertainty in density is 0.2% for the liquid phase and 0.5% for the
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? vapor phase. Above the critical temperature, the uncertainties are
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? estimated to be 1% in density and 0.5% in pressure. Calculated vapor
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? pressures have an uncertainty of 0.5%. The uncertainties for heat
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? capacities and sound speeds are 1%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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125.45 !Lower temperature limit [K]
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440.0 !Upper temperature limit [K]
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20000.0 !Upper pressure limit [kPa]
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10.69 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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188.01933 !Molar mass [g/mol]
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125.45 !Triple point temperature [K]
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0.002018 !Pressure at triple point [kPa]
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10.69 !Density at triple point [mol/L]
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236.36 !Normal boiling point temperature [K]
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0.3172 !Acentric factor
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345.02 2640.0 3.34 !Tc [K], pc [kPa], rhoc [mol/L]
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345.02 3.34 !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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1.3270 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-3.8433 1.25 1. 0.
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0.922 1.5 1. 0.
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0.11360 0.25 3. 0.
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0.00036195 0.875 7. 0.
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1.1001 2.375 1. 1.
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1.1896 2.0 2. 1.
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-0.025147 2.125 5. 1.
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-0.65923 3.5 1. 2.
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-0.027969 6.5 1. 2.
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-0.18330 4.75 4. 2.
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-0.021630 12.5 2. 3.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for R-218 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 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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7.2198 326.0
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7.2692 595.0
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11.599 1489.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for R-218 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 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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-15.6587666987777396 0.0 !aj, ti for [ai*tau**ti] terms
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11.4531605140032475 1.0 !aj, ti for [ai*tau**ti] terms
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7.2198 326.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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7.2692 595.0
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11.599 1489.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for R-218.
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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 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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-15.6587335175 0.0 !aj, ti for [ai*tau**ti] terms
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11.4531412796 1.0
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7.2198 -0.944872761 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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7.2692 -1.724537708
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11.599 -4.315691844
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Propane reference); fitted to data for R-218.
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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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?THERMAL CONDUCTIVITY
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? The ECS parameters for thermal conductivity were based in part on the data of:
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? Tsvetkov, O.B., Laptev, Yu.A., and Vasilkov, A.I., "The Results of Measurements of Thermal Conductivity of Gaseous Freons with the Heating Wire Method," Mashinyi i Apparatyi Cholodilnoj, Kriogennoh Techniki i Kondizionirovaniyi Vosducha, Collect No. 2:54-6, 1977, Leningradskij Tech. Inst.
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? Clifford, A.A., Dickinson, E., and Gray, P., "Thermal Conductivity of Gaseous Alkanes + Perfluoroalkane Mixtures," J. Chem. Soc. Far. Trans. I, 1997.
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? Grebenkov, A.J., Zhelezny, V.P., Klepatsky, P.M., Beljaeva, O.V., Chernjal, Yu. A., Kotelevsky, Yu. G., and Timofejev, B.D., "Thermodynamic and Transport Properties of Some Ozone-Safe Refrigerants for Industrial Refrigeration Equipment: Study in Belarus and Ukraine," Int. J. Thermophys., 17(3):535-549, 1996. doi: 10.1007/BF01441501
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?
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?The estimated uncertainty for thermal conductivity is 10% in the gas, and in the liquid at pressures to 20 MPa (the limit of the EOS).
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?
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?VISCOSITY
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? The ECS parameters for viscosity were based in part on the data of:
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? Geller, V.Z., "Investigation of the Viscosity of Freons of the Methane, Ethane, and Propane Types. Summary of Experimental Data," Teplofiz. Svoistva Veshchestv. Mater., No. 15, Sychev, V.V., Ed., Standards Publ.: Moscow, pp. 89-114, 1980.
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? Dunlop, P.J., "Viscosities of a Series of Gaseous Fluorocarbons at 25 C," J. Chem. Phys., 100(4):3149-3151, 1994.
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?
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?The estimated uncertainty in the gas phase is 10%, and is 5% in the liquid at pressures to 20 MPa (the limit of the EOS).
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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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125.45 !Lower temperature limit [K]
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440.0 !Upper temperature limit [K]
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20000.0 !Upper pressure limit [kPa]
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10.69 !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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0.58 !Lennard-Jones coefficient sigma [nm] for ECS method
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266.35 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
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3 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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5.99446e-4 0. 0. 0. !Coefficient, power of T, spare1, spare2
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2.29822e-6 1. 0. 0. !Coefficient, power of T, spare1, spare2
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-9.77006e-10 2. 0. 0. !Coefficient, power of T, spare1, spare2
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3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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1.06992 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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0.0100068 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.00126094 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
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3 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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0.4662510 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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0.54426 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.110279 0. 2. 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 R-218 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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0.219e-9 !Xi0 (amplitude) [m]
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0.061 !Gam0 (amplitude) [-]
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0.659e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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517.53 !Tref (reference temperature) [K]
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for R-218 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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345.02 !Critical temperature used in fit (dummy)
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0.04322 1.224 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for R-218 of Cullimore (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Cullimore, I.D., 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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345.02 2640.0 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-7.8419 1.0
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2.8989 1.5
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-3.3458 2.2
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-3.3196 4.8
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0.25363 6.2
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for R-218 of Cullimore (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Cullimore, I.D., 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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345.02 3.34 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-0.61027 0.223
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5.7453 0.39
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-5.6835 0.56
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3.2137 0.75
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0.55194 5.0
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for R-218 of Cullimore (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Cullimore, I.D., 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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345.02 3.34 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-4.2658 0.481
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-6.9496 1.53
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-18.099 3.2
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-49.210 6.3
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-55.945 12.0
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-74.492 15.0
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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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@EOS !Equation of state specification
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ECS Thermodynamic Extended Corresponding States model w/ T- and rho-dependent shape factors.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Huber, M.L. and Ely, J.F.,
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? "A predictive extended corresponding states model for pure and mixed
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? refrigerants including an equation of state for R134a,"
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? Int. J. Refrigeration, 17(1):18-31, 1994. doi: 10.1016/0140-7007(94)90083-3
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?
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?ECS parameters fitted by E.W. Lemmon, NIST, 05-08-98
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? Average absolute deviations of the fit from the experimental data are:
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? PVT(vapor): 0.21%; Snd: 0.43%; Psat: 0.28%; Dsat(liq.): 0.20%
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?
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?DATA SOURCES
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? Brown, J.A. and Mears, W.H. Physical Properties of n-Perfluorobutane. J. Phys. Chem., 62:960-62 (1958).
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? Grebenkov, A.J., Kotelevsky, Yu.G., Saplitza, V.V., Beljaeva, O.V., Zajatz, T.A., and Timofeev, B.D. Experimental Study of Thermal Conductivity of Some Ozone Safe Refrigerants and Speed of Sound in their Liquid Phase. Proc, CFC's: The Day After, IIR Comm B1, B2, E1, E2, 21-23 (1994).
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? Bouchot, C. and Richon, D. Gas, Liquid, and Saturated Vapor-Liquid Densities and Vapor Pressures of Difluoromethane (R-32) and Octafluoropropane (R-218) at Temperatures from 253 K to 333 K and Pressure up to 14.5 MPa. Int. Electron. J. Phys.-Chem. Data, 3:1-15 (1997).
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? Defibaugh, D.R. and Moldover, M.R. Compressed and Saturated Liquid Densities for 18 Halogenated Organic Compounds. J. Chem. Eng. Data, 42(1):160-168 (1997). doi: 10.1021/je960266e
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?
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!```````````````````````````````````````````````````````````````````````````````
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125.45 !Lower temperature limit [K]
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500.0 !Upper temperature limit [K]
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30000.0 !Upper pressure limit [kPa]
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11.3 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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PROPANE.FLD
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BWR !Pointer to reference fluid model
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0.15238 !Acentric factor for propane used in shape factor correlation
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0.27627 !Critical compressibility for propane used in correlation
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0.325 !Acentric factor for fluid used in shape factor correlation
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345.023 !Critical temperature [K]
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2680.05 !Critical pressure [kPa]
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3.34 !Critical density [mol/L]
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3 !Number of temperature coefficients for 'f' shape factor
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0.568629397 0. ! alpha1 of Huber & Ely
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-0.692246078 1. ! alpha2 (log(Tr) term)
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-0.0600221601 1.
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1 !Number of density coefficients for 'f' shape factor
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-0.0192641064 1. ! rho coefficient and power in temperature
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2 !Number of temperature coefficients for 'h' shape factor
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-0.580429710 0. ! beta1 of Huber & Ely
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0.277242325 1. ! beta2 (log(Tr) term)
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1 !Number of density coefficients for 'h' shape factor
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0.0475520255 1. ! rho coefficient and power in temperature
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@AUX !---Auxiliary model specification for Cp0
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CP1 ideal gas heat capacity function
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Fang, F. and Joffe, J.
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? "Thermodynamic properties of perfluoropropane,"
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? J. Chem. Eng. Data, 11(3):376-9, 1966.doi: 10.1021/je60030a026
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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 8.31451 !Reducing parameters for T, Cp0
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4 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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1.5555084 0.0
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0.07477231 1.0
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-0.000077037439 2.0
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0.2883036e-7 3.0
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