387 lines
18 KiB
Plaintext
387 lines
18 KiB
Plaintext
D5 !Short name
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541-02-6 !CAS number
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Decamethylcyclopentasiloxane !Full name
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C10H30O5Si5 !Chemical formula {C10H30O5Si5}
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D5 !Synonym
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370.7697 !Molar mass [g/mol]
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226.0 !Triple point temperature [K]
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484.060 !Normal boiling point [K]
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618.3 !Critical temperature [K]
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1093.4 !Critical pressure [kPa]
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0.82 !Critical density [mol/L]
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0.637 !Acentric factor
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1.349 !Dipole moment [Debye]; DIPPR DIADEM 2012
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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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siloxane !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3 :InChi: !Standard InChI String
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XMSXQFUHVRWGNA-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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ccbc27e0 !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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! 12-22-05 EWL, Original version.
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! 08-23-10 IDC, Add ancillary density equations.
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! 02-15-11 MLH, Add preliminary transport.
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! 04-06-13 EWL, Add dipole moment.
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! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
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! 02-05-16 MLH, Revise transport.
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! 02-07-17 MLH, Update transport.
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! 04-10-18 MT, Add new EOS and ancillary equations.
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! 04-12-18 MLH, Revise transport for new EOS.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for decamethylcyclopentasiloxane of Thol et al. (2018).
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:TRUECRITICALPOINT: 618.3 0.82 !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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?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J.,
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? "Thermodynamic Properties of Dodecamethylpentasiloxane,
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? Tetradecamethylhexasiloxane, and Decamethylcyclopentasiloxane,"
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? to be submitted to Fluid Phase Equilib., 2018.
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?
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?The uncertainties in the equation of state are:
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? Density in the liquid phase: 0.2%; no data available in the vapor phase.
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? Speed of sound in the liquid phase: 0.3 %; 0.4 % in the vapor phase.
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? Isobaric heat capacity in the liquid phase at 1 atm: 2 %.
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? Vapor pressure: 0.5% for T = 380 - 490 K.
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? No other data available.
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?
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!```````````````````````````````````````````````````````````````````````````````
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226.0 !Lower temperature limit [K]
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630.0 !Upper temperature limit [K]
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125000.0 !Upper pressure limit [kPa]
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2.78 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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370.7697 !Molar mass [g/mol]
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226.0 !Triple point temperature [K]
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0.00000286 !Pressure at triple point [kPa]
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2.78 !Density at triple point [mol/L]
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484.060 !Normal boiling point temperature [K]
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0.637 !Acentric factor
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618.3 1093.4 0.82 !Tc [K], pc [kPa], rhoc [mol/L]
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618.3 0.82 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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10 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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0.07455534 1. 4. 0. !a(i),t(i),d(i),l(i)
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1.806054 0.44 1. 0.
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-3.279366 0.88 1. 0.
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-0.8646964 0.86 2. 0.
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0.5088117 0.445 3. 0.
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-4.443945 1.4 1. 2.
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-1.788601 1.9 3. 2.
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0.5585991 0.8 2. 1.
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-3.814219 1.12 2. 2.
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-0.07638697 1.04 7. 1.
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8.723756 0.88 1. 2. 2. -0.854 -0.358 1.186 0.875 0. 0. 0.
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-0.002425617 2.74 1. 2. 2. -16.0 -1495.0 1.044 0.937 0. 0. 0.
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-1.146822 1.04 3. 2. 2. -1.123 -0.3 1.05 0.787 0. 0. 0.
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-1.500002 0.99 2. 2. 2. -0.915 -0.34 1.3 0.957 0. 0. 0.
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-2.37615 1.02 2. 2. 2. -1.26 -0.39 0.61 0.554 0. 0. 0.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for decamethylcyclopentasiloxane of Thol et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.3144598 !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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4.0 0.0
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54.0947 21.0
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66.5513 2044.0
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36.7748 6590.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for decamethylcyclopentasiloxane of Thol et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., 2018.
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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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224.3465448833708251 0.0 !aj, ti for [ai*tau**ti] terms
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-39.6350124660082983 1.0 !aj, ti for [ai*tau**ti] terms
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54.0947 21.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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66.5513 2044.0
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36.7748 6590.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for decamethylcyclopentasiloxane of Colonna et al. (2006).
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:DOI: 10.1016/j.fluid.2006.04.015
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Colonna, P., Nannan, N.R., Guardone, A., Lemmon, E.W.,
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? Multiparameter Equations of State for Selected Siloxanes,
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? Fluid Phase Equilibria, 244:193-211, 2006.
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?
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!```````````````````````````````````````````````````````````````````````````````
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300.0 !Lower temperature limit [K]
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673.0 !Upper temperature limit [K]
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30000.0 !Upper pressure limit [kPa]
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2.83 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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370.7697 !Molar mass [g/mol]
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226.0 !Triple point temperature [K]
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0.000005304 !Pressure at triple point [kPa]
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2.83 !Density at triple point [mol/L]
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484.05 !Normal boiling point temperature [K]
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0.658 !Acentric factor
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619.23462341 1161.46 0.78909027 !Tc [K], pc [kPa], rhoc [mol/L]
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619.23462341 0.78909027 !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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1.40844725 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.29248044 1.125 1. 0.
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0.42851607 1.5 1. 0.
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-0.73506382 1.375 2. 0.
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0.16103808 0.25 3. 0.
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0.00029643278 0.875 7. 0.
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0.82412481 0.625 2. 1.
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0.15214274 1.75 5. 1.
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-0.68495890 3.625 1. 2.
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-0.055703624 3.625 4. 2.
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0.013055391 14.5 3. 3.
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-0.031853761 12.0 4. 3.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for decamethylcyclopentasiloxane of Colonna et al. (2006).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Colonna, P., Nannan, N.R., Guardone, A., Lemmon, E.W.,
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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 1.0 !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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-34.898 0.0
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1.8615 1.0
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-0.0014034 2.0
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5.e-7 3.0
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Nitrogen reference); fit to limited data for D5.
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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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?VISCOSITY
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? Abbas, R., Ihmels, E.C., Enders, S., and Gmehling, J., "Measurement of Transport Properties for Selected Siloxanes and their Mixtures Used as Working Fluids for Organic Rankine Cycles," Ind. Eng. Chem. Res., 50:8756-8763, 2011.
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? Palczewska-Tulinska, M. and Oracz, P., "Selected Physicochemical Properties of Hexamethylcyclotrisiloxane, Octamethylcyclotetrasiloxane, and Decamethylcyclopentasiloxane," J. Chem. Eng. Data, 50(5):1711-1719, 2005.
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?
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?Estimated uncertainty: the uncertainty in the liquid phase at
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? atmospheric pressure is estimated to be 5% at temperatures between 300 K
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? and 500 K, rising to 10% at higher temperatures and pressures to 10 MPa.
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? Vapor phase data unavailable; estimated uncertainty is 10%.
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?
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?THERMAL CONDUCTIVITY
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? Abbas, R., Ihmels, E.C., Enders, S., and Gmehling, J., "Measurement of Transport Properties for Selected Siloxanes and their Mixtures Used as Working Fluids for Organic Rankine Cycles," Ind. Eng. Chem. Res., 50:8756-8763, 2011.
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? Palczewska-Tulinska, M., Oracz, P., "Selected Physicochemical Properties of Hexamethylcyclotrisiloxane, Octamethylcyclotetrasiloxane, and Decamethylcyclopentasiloxane," J. Chem. Eng. Data, 50(5):1711-1719, 2005.
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?
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?Estimated uncertainty: the estimated uncertainty for the liquid phase at
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? temperatures to 500 K and pressures to 10 MPa is 5%, larger at higher
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? temperatures and pressures. Estimated uncertainty in vapor phase is 25%.
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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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226. !Lower temperature limit [K]
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673.0 !Upper temperature limit [K]
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10000.0 !Upper pressure limit [kPa]
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4.0 !Maximum density [mol/L]
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FEQ NITROGEN.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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0.864 !Lennard-Jones coefficient sigma [nm] for ECS method
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491.0 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
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1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
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4 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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-2.49055 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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4.63356 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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-1.89292 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
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0.247782 0. 3. 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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1.40287 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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0.0940128 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 D5 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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0.319e-9 !Xi0 (amplitude) [m]
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0.064 !Gam0 (amplitude) [-]
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1.068-9 !Qd_inverse (modified effective cutoff parameter) [m]
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927.45 !Tref (reference temperature) [K]
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for D5 of Mulero et al. (2014).
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:DOI: 10.1063/1.4878755
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mulero, A. and Cachadiña, I.,
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? "Recommended Correlations for the Surface Tension of Several Fluids
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? Included in the REFPROP Program,"
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? J. Phys. Chem. Ref. Data, 43, 023104, 2014.
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? doi: 10.1063/1.4878755
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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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619.15 !Critical temperature used in fit (dummy)
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0.04408 1.357 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for D5 of Thol et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., 2018.
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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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618.3 1093.4 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-9.5401 1.0 !Coefficients and exponents
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5.1811 1.5
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-10.710 2.07
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-17.176 3.17
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14.54 2.6
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-11.28 16.3
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for D5 of Thol et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., 2018.
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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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618.3 0.82 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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3.4054 0.424 !Coefficients and exponents
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-2.5800 0.88
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3.3694 1.425
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-1.53378 2.122
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0.53195 3.138
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for D5 of Thol et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., 2018.
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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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618.3 0.82 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-4.019114 0.442 !Coefficients and exponents
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-6.19194 1.190
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-25.509 2.854
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-151.51 6.14
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85.8 6.87
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-205.896 12.358
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@END
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