316 lines
14 KiB
Plaintext
316 lines
14 KiB
Plaintext
R13I1 !Short name
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2314-97-8 !CAS number
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Trifluoroiodomethane !Full name
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CF3I !Chemical formula {CF3I}
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HFC-13I1 !Synonym
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195.9104 !Molar mass [g/mol]
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195.15 !Triple point temperature [K]
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251.291 !Normal boiling point [K]
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396.44 !Critical temperature [K]
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3953.0 !Critical pressure [kPa]
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4.4306 !Critical density [mol/L]
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0.176 !Acentric factor
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0.92 !Dipole moment [Debye]; Di Giacomo & Smyth, J Am Chem Soc 77:774-777 (1955).
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IIR !Default reference state
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10.0 !Version number
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???? !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/CF3I/c2-1(3,4)5 !Standard InChI String :InChi:
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VPAYJEUHKVESSD-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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7b3b4080 (butane) !Alternative fluid for mixing rules :AltID:
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d26ca240 !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. McLinden, NIST Thermophysics Division, Boulder, Colorado
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! 11-07-96 MM, Original version.
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! 04-07-98 MM, Add dipole moment.
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! 02-22-99 MM, Add surface tension.
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! 07-20-06 EWL, Add preliminary equation of state.
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! 11-13-06 MLH, Add LJ parameters.
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! 12-21-11 EWL, Minor changes to the EOS to prepare for publication.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 04-01-13 SH, Add ancillary equations.
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! 08-04-15 EWL, Change name to R13I1.
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! 08-04-15 EWL, Minor update to match new manuscript. Refit the saturated density ancillaries.
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! 05-01-16 MLH, Update transport.
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! 02-14-17 MLH, Revise ECS transport.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for CF3I (R-13I1) of Lemmon and Span (2015).
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:TRUECRITICALPOINT: 396.44 4.4306 !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/acs.jced.5b00684
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Span, R.,
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? "Thermodynamic Properties of R-227ea, R-365mfc, R-115, and R-13I1,"
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? J. Chem. Eng. Data, 60(12):3745-3758, 2015. doi: 10.1021/acs.jced.5b00684
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?
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?The uncertainties are 0.1 % in density in the liquid phase, 0.3 % in density
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? in the vapor phase, and 0.1 % in vapor pressures and vapor-phase speeds of sounds.
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? Uncertainties in other properties in the liquid phase except density are unknown.
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?
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!```````````````````````````````````````````````````````````````````````````````
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195.15 !Lower temperature limit [K] (this needs to be verified)
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420. !Upper temperature limit [K]
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50000. !Upper pressure limit [kPa]
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12.62 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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195.9104 !Molar mass [g/mol]
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195.15 !Triple point temperature [K]
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4.8844 !Pressure at triple point [kPa]
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12.61 !Density at triple point [mol/L]
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251.291 !Normal boiling point temperature [K]
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0.176 !Acentric factor
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396.44 3953.0 4.4306 !Tc [K], pc [kPa], rhoc [mol/L]
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396.44 4.4306 !Reducing parameters [K, mol/L]
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8.3144598 !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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1.12191 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-3.08087 1.125 1. 0.
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1.11307 1.5 1. 0.
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-0.184885 1.375 2. 0.
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0.110971 0.25 3. 0.
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0.000325 0.875 7. 0.
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0.333357 0.625 2. 1.
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-0.0288288 1.75 5. 1.
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-0.371554 3.625 1. 2.
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-0.0997985 3.625 4. 2.
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-0.0333205 14.5 3. 3.
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0.0207882 12.0 4. 3.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for CF3I (R-13I1) of Lemmon and Span (2015).
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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 8.3144598 !Reducing parameters for T, Cp0
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1 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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6.2641 694.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for CF3I (R-13I1) of Lemmon and Span (2015).
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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 1 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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-24.6915063028695059 0.0 !aj, ti for [ai*tau**ti] terms
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14.2175285511018874 1.0 !aj, ti for [ai*tau**ti] terms
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6.2641 694.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for R-13I1.
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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 1 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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-24.6914997848 0.0 !aj, ti for [ai*tau**ti] terms
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14.2175252628 1.0
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6.2641 -1.7505801635 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (R134a reference); predictive mode for R-13I1.
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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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?Estimated uncertainty for viscosity in the liquid phase along the saturation boundary
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? is 5%, 10% in the gas phase.
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?
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?Estimated uncertainty for thermal conductivity in the gas phase and liquid phases
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? is 10%; no data available for liquid phase.
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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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195.15 !Lower temperature limit [K] (MSDS, Trifluoromethyl Iodide, Synquest labs, 2016)
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420.0 !Upper temperature limit [K]
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50000.0 !Upper pressure limit [kPa]
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14.1 !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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0.95 0. 0. 0. !Large molecule parameters
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.4926 !Lennard-Jones coefficient sigma [nm]
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314.8 !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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0.00128541 0. 0. 0. !Coefficient, power of T, spare1, spare2
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5.32854e-7 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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1.22725 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.0879263 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 R-13I1 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: CO2-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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0.21e-9 !Xi0 (amplitude) [m]
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0.057 !Gam0 (amplitude) [-]
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0.598e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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594.66 !Tref (reference temperature)=1.5*Tc [K]
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for R-13I1 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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396.44 !Critical temperature used in fit (dummy)
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0.05767 1.298 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for R-13I1 of Lemmon and Span (2015).
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?
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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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396.44 3953.0 !Reducing parameters
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4 0 0 0 0 0 !Number of terms in equation
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-6.8642 1.0
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1.7877 1.5
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-1.0619 1.9
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-2.1677 3.8
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for R-13I1 of Lemmon and Span (2015).
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?
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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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396.44 4.4306 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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18.776 0.58
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-78.705 0.8
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149.49 1.0
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-130.69 1.2
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43.856 1.4
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for R-13I1 of Lemmon and Span (2015).
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?
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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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396.44 4.4306 !Reducing parameters
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7 0 0 0 0 0 !Number of terms in equation
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-47.722 0.65
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108.57 0.8
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-169.0 1.1
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171.54 1.4
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-82.244 1.75
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-40.758 5.8
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-83.584 13.0
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@END
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