376 lines
17 KiB
Plaintext
376 lines
17 KiB
Plaintext
Perfluorobutane !Short name
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355-25-9 !CAS number
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Decafluorobutane !Full name
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C4F10 !Chemical formula {C4F10}
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Perfluorobutane !Synonym
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238.027 !Molar mass [g/mol]
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144.0 !Triple point temperature [K]; Reid, Prausnitz, & Poling, McGraw-Hill (1987)
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271.123 !Normal boiling point [K]
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386.326 !Critical temperature [K]
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2322.4 !Critical pressure [kPa]
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2.637 !Critical density [mol/L]
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0.372 !Acentric factor
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0.0 !Dipole moment [Debye]; ab-initio calculations from HF 6-31G*
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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/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14!Standard InChI String :InChi:
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KAVGMUDTWQVPDF-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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7b3b4080 (butane) !Alternative fluid for mixing rules :AltID:
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a8f85e00 !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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! 5-07-98 EWL, Original version.
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! 07-03-10 MLH, Add predictive transport. No data yet.
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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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! 04-06-13 EWL, Add dipole moment.
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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 for new EOS.
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! 12-23-17 MLH, Tweaked critical enhancement parameters to match EOS critical point.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for perfluorobutane of Gao et al. (2017).
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:TRUECRITICALPOINT: 386.326 2.637 !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 1 % in the vapor
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? phase region at temperatures between 338 K and 455 K. The uncertainty in
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? vapor pressure is 0.2 % at temperatures between 260 K and 380 K. The
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? uncertainty in saturated-liquid density is 0.2 % between 230 K and 360 K.
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? The uncertainty in saturated-vapor density is generally less than 2 %
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? between 230 K and 360 K. The uncertainty in sound speed is 0.4 % at
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? temperatures between 255 K and 305 K.
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?
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!```````````````````````````````````````````````````````````````````````````````
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144.0 !Lower temperature limit [K]
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450.0 !Upper temperature limit [K]
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10000. !Upper pressure limit [kPa]
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8.61 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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238.027 !Molar mass [g/mol]
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144.0 !Triple point temperature [K]
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0.001077 !Pressure at triple point [kPa]
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8.604 !Density at triple point [mol/L]
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271.123 !Normal boiling point temperature [K]
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0.372 !Acentric factor
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386.326 2322.4 2.637 !Tc [K], pc [kPa], rhoc [mol/L]
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386.326 2.637 !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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0.025377604 1.0 4. 0. !a(i),t(i),d(i),l(i)
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0.97089776 0.135 1. 0.
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-0.76128126 1. 1. 0.
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-1.2517125 1. 2. 0.
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0.28005904 0.42 3. 0.
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-1.7144149 1.62 1. 2.
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-0.64918553 2.35 3. 2.
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1.1662335 1.01 2. 1.
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-0.35934725 2.65 2. 2.
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1.4986537 0.75 1. 2. 2. -1.431 -1.544 1.265 0.781 0. 0. 0.
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-0.60326234 1.28 1. 2. 2. -1.803 -1.366 1.156 0.723 0. 0. 0.
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-0.11389713 1.5 3. 2. 2. -1.608 -0.876 0.916 0.842 0. 0. 0.
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-0.2553212 1. 2. 2. 2. -1.837 -1.117 0.927 0.652 0. 0. 0.
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-0.1017598 1.9 2. 2. 2. -1.846 -1.29 0.926 1.139 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 perfluorobutane 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 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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14.0 0.0
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2.164 368.0
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15.64 810.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for perfluorobutane 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 2 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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13.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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7.0061914961295244 0.0 !aj, ti for [ai*tau**ti] terms
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-4.9395325777031092 1.0 !aj, ti for [ai*tau**ti] terms
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2.164 368.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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15.64 810.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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ECS !Extended Corresponding States model w/ T- and rho-dependent shape factors for perfluorobutane.
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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, 05-07-98
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? Average absolute deviations of the fit from the experimental data are:
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? PVT(vapor): 0.64%; Pv: 0.48%; Dsat(liq.): 0.43%
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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(8):960-62 (1958). doi: 10.1021/j150566a015
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?
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!```````````````````````````````````````````````````````````````````````````````
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189.0 !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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7.64 !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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0.371 !Acentric factor for fluid used in shape factor correlation
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386.326 !Critical temperature [K]
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2323.4 !Critical pressure [kPa]
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2.52 !Critical density [mol/L]
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2 !Number of temperature coefficients for 'f' shape factor
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0.00776042865 0. !Alpha1 of Huber & Ely
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-0.641975631 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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0.00278313281 0. !Beta1 of Huber & Ely
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-0.593657910 1. !Beta2 (log(Tr) term)
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1 !Number of density coefficients for 'h' shape factor
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-0.00236093735 1. !Rho coefficient and power in temperature
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for perfluorobutane.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Estimated from group contribution methods and equations for R14, R116, and
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? 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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2.0150709 0.0
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0.096863193 1.0
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-0.000099797537 2.0
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0.3734806e-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 perfluorobutane.
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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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? Predictive model. Experimental data unavailable. Values based on estimation method of
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? extended corresponding states; estimated uncertainty is approximately 20-50%.
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?
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?THERMAL CONDUCTIVITY
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? Predictive model. Experimental data unavailable. Values based on estimation method of
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? extended corresponding states; estimated uncertainty is approximately 20-50%.
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? The parameters for C5F12 were used as estimated values.
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?
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?The Lennard-Jones parameters were estimated by scaling the values for C5F12 from McCoubrey and Singh, 1960.
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?
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!```````````````````````````````````````````````````````````````````````````````
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189.0 !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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7.64 !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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0.694 !Lennard-Jones coefficient sigma [nm]
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179.0 !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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1 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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1.045 0. 0. 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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1.99 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.33 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare; -0.31
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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 perfluorobutane 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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0.233e-9 !Xi0 (amplitude) [m]
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0.061 !Gam0 (amplitude) [-]
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0.715e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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579.49 !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 perfluorobutane 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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386.326 !Critical temperature used in fit (dummy)
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0.04429 1.242 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for perfluorobutane 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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386.326 2322.4 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-8.2957 1.0
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4.5997 1.5
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-4.4355 1.9
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-5.0941 4.3
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-4.1863 15.1
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for perfluorobutane 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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386.326 2.637 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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7.2166 0.507
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-18.074 0.824
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32.084 1.15
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-30.238 1.5
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12.446 1.9
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for perfluorobutane 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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386.326 2.637 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-6.2029 0.496
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7.0601 0.82
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-11.424 1.17
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-24.160 3.3
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-67.136 6.8
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-182.16 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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