376 lines
18 KiB
Plaintext
376 lines
18 KiB
Plaintext
Perfluoropentane !Short name
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678-26-2 !CAS number
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Dodecafluoropentane !Full name
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C5F12 !Chemical formula {C5F12}
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Perfluoropentane !Synonym
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288.034 !Molar mass [g/mol]
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148.21 !Triple point temperature [K]
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302.453 !Normal boiling point [K]
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421.0 !Critical temperature [K]
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2063.0 !Critical pressure [kPa]
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2.17 !Critical density [mol/L]
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0.436 !Acentric factor
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0.0 !Dipole moment [Debye]; Gibbs, J.H., Smyth, C.P., J. Am. Chem. Soc., 73, 5115-5118 (1951)
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NBP !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/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17 :InChi: !Standard InChI String
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NJCBUSHGCBERSK-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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7b3b4080 (butane) !Alternative fluid for mixing rules :AltID:
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053a8820 !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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! 5-08-98 EWL, Original version.
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! 12-04-08 MLH, Update triple point.
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! 07-03-10 MLH, Add predictive transport.
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! 08-19-10 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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! 04-29-16 MLH, Revise transport.
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! 03-13-17 KG, Add new equation of state of Gao et al. (2017).
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! 03-14-17 MLH, Revise transport 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 perfluoropentane of Gao et al. (2017).
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:TRUECRITICALPOINT: 421.0 2.17 !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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?Gao, K., Wu, J., and Lemmon, E.W.,
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? unpublished equation, 2017.
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?
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?The uncertainty of the equation of state in density is 0.7 % at temperatures
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? between 330 K and 500 K. The uncertainty in vapor pressure is 0.1 % between
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? 220 K and 410 K. The uncertainty in saturated-liquid density is 0.3 %
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? between 180 K and 410 K. The uncertainty in saturated-vapor density is
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? 2 % between 330 K and 410 K.
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?
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!```````````````````````````````````````````````````````````````````````````````
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148.21 !Lower temperature limit [K]
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500.0 !Upper temperature limit [K]
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10000. !Upper pressure limit [kPa]
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7.12 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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288.034 !Molar mass [g/mol]
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148.21 !Triple point temperature [K]
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0.0001064 !Pressure at triple point [kPa]
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7.118 !Density at triple point [mol/L]
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302.453 !Normal boiling point temperature [K]
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0.436 !Acentric factor
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421.0 2063.0 2.17 !Tc [K], pc [kPa], rhoc [mol/L]
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421.0 2.17 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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9 4 5 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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0.036359237 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.1222855 0.19 1. 0.
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-0.63721964 1. 1. 0.
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-1.3599906 1. 2. 0.
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0.24995429 0.33 3. 0.
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-2.291332 1.51 1. 2.
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-0.95997986 2.22 3. 2.
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1.2463966 0.97 2. 1.
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-0.41785522 2.54 2. 2.
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-0.49360387 0.75 1. 2. 2. -1.168 -2.13 1.14 0.317 0. 0. 0.
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1.8336733 0.375 1. 2. 2. -0.944 -2.13 1.185 0.702 0. 0. 0.
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-0.27152337 0.5 1. 2. 2. -2.28 -2.13 0.95 0.686 0. 0. 0.
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-0.11731069 1. 3. 2. 2. -1.486 -1.865 1.02 1.257 0. 0. 0.
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-0.488446 0.815 2. 2. 2. -1.78 -1.59 1.025 0.947 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 perfluoropentane of Gao et al. (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., Wu, J., and Lemmon, E.W., 2017.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.3144598 !Reducing parameters for T, Cp0
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1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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15.0 0.0
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5.761 485.0
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7.096 2009.0
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19.37 1026.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for perfluoropentane of Gao et al. (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., Wu, J., and Lemmon, E.W., 2017.
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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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14.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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9.4767050074073325 0.0 !aj, ti for [ai*tau**ti] terms
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-6.5375668451463955 1.0 !aj, ti for [ai*tau**ti] terms
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5.761 485.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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7.096 2009.0
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19.37 1026.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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ECS !Extended Corresponding States model w/ T-dependent shape factors for perfluoropentane.
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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): 0.61%; Pv: 0.40%; Dsat(liq.): 0.16%
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?
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?DATA SOURCES
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? Aftienjew, J. and Zawisza, A. High-Pressure Liquid-Vapour-Equilibria, Critical State and p(V,T,x) up to 501.15 and 4.560 MPa for n-Pentane + n-Perfluoropentane. J. Chem. Thermodyn., 9(2):153-65 (1977). doi: 10.1016/0021-9614(77)90081-7
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?
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!```````````````````````````````````````````````````````````````````````````````
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148.363 !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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6.7 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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R113.FLD
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FEQ !Pointer to reference fluid model
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0.25253 !Acentric factor for R113 used in shape factor correlation
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0.280191 !Critical compressibility for R113 used in correlation
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0.423 !Acentric factor for fluid used in shape factor correlation
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420.555 !Critical temperature [K]
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2045.0 !Critical pressure [kPa]
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2.116 !Critical density [mol/L]
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2 !Number of temperature coefficients for 'f' shape factor
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0.00960871894 0. !Alpha1 of Huber & Ely
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-0.820122088 1. !Alpha2 (log(Tr) term)
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0 !Number of density coefficients for 'f' shape factor
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2 !Number of temperature coefficients for 'h' shape factor
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-0.0367946699 0. !Beta1 of Huber & Ely
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0.0736529816 1. !Beta2 (log(Tr) term)
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0 !Number of density coefficients for 'h' shape factor
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for perfluoropentane.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Estimated from group contribution methods and equations for R14, R116, and R218.
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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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2.4705743 0.0
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0.11875895 1.0
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-0.0001223566 2.0
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0.45790525e-7 3.0
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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 perfluoropentane.
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
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?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension
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? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018.
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? doi: 10.6028/NIST.IR.8209
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?
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?VISCOSITY
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? Burger, L.L., Cady, G.H., "Physical Properties of Perfluoropentanes," J. Am. Chem. Soc., 73(9):4243-4246, 1951. doi: 10.1021/ja01153a061
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?
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?For temperatures above 180 K and atmospheric pressure, uncertainty is estimated to
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? be 5%, rising to 10% at pressures to 30 MPa. Uncertainty in the gas phase is 5%.
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?
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?THERMAL CONDUCTIVITY
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? Predictive model. Values based on estimation method of
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? extended corresponding states; uncertainty of the thermal conductivity of the
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? liquid and vapor phases is estimated to be 10%.
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?
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?The Lennard-Jones parameters were taken from McCoubrey, J.C. and Singh, N.M., "The Viscosity of Some Fluorocarbons in the Vapour Phase," Trans. Faraday Soc., 56, 486-489, 1960. doi: 10.1039/TF9605600486
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?
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!```````````````````````````````````````````````````````````````````````````````
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148.21 !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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10.0 !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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NUL !Large molecule identifier
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.736 !Lennard-Jones coefficient sigma [nm]
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195.0 !Lennard-Jones coefficient epsilon/kappa [K]
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1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.00125 0. 0. 0. !Coefficient, power of T, spare1, spare2
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3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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0.6637750 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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0.38206 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.0882706 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
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2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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1.99279 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.308118 0. 1. 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 perfluoropentane 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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0.244e-9 !Xi0 (amplitude) [m]
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0.062 !Gam0 (amplitude) [-]
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0.765e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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630.83 !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 perfluoropentane 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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420.555 !Critical temperature used in fit (dummy)
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0.04394 1.254 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for perfluoropentane of Gao (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., 2017.
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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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421.0 2063.0 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-8.4733 1.0
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3.5899 1.5
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-3.3162 1.97
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-4.1966 3.63
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-1.6897 11.74
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for perfluoropentane of Gao (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., 2017.
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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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421.0 2.17 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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3.9956 0.464
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-4.6464 0.9
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8.1411 1.4
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-7.7694 1.9
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3.4916 2.6
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for perfluoropentane of Gao (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., 2017.
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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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421.0 2.17 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-4.456 0.479
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-7.6886 1.51
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-24.64 3.35
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-62.48 6.71
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-163.57 14.76
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@END
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