379 lines
17 KiB
Plaintext
379 lines
17 KiB
Plaintext
MD4M !Short name
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107-52-8 !CAS number
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Tetradecamethylhexasiloxane !Full name
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C14H42O5Si6 !Chemical formula {C14H42O5Si6}
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MD4M !Synonym
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458.99328 !Molar mass [g/mol]
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214.15 !Triple point temperature [K]
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532.905 !Normal boiling point [K]
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653.2 !Critical temperature [K]
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840.37 !Critical pressure [kPa]
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0.57 !Critical density [mol/L]
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0.806 !Acentric factor
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1.308 !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/C14H42O5Si6/c1-20(2,3)15-22(7,8)17-24(11,12)19-25(13,14)18-23(9,10)16-21(4,5)6/h1-14H3 :InChi: !Standard InChI String
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ADANNTOYRVPQLJ-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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eabdcbe0 !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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! 01-27-16 MLH, Revise transport.
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! 02-06-17 MLH, Revise range and uncertainty for transport.
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! 04-02-18 MK, Add new EOS of Thol et al.
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! 04-03-18 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 MD4M of Thol et al. (2018).
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:TRUECRITICALPOINT: 653.2 0.57 !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: 0.1%; no data available in the vapor phase.
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? Speed of sound in the liquid phase: 0.2 %; no data available in the vapor phase.
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? Vapor pressure: 0.8% for T = 450 - 550 K.
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? No other data available.
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?
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!```````````````````````````````````````````````````````````````````````````````
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214.15 !Lower temperature limit [K]
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655.0 !Upper temperature limit [K]
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125000.0 !Upper pressure limit [kPa]
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2.108 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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458.99328 !Molar mass [g/mol]
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214.15 !Triple point temperature [K]
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0.0000000007 !Pressure at triple point [kPa]
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2.108 !Density at triple point [mol/L]
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532.905 !Normal boiling point temperature [K]
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0.806 !Acentric factor
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653.2 840.37 0.57 !Tc [K], pc [kPa], rhoc [mol/L]
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653.2 0.57 !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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0.04276263 1. 4. 0. !a(i),t(i),d(i),l(i)
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1.2263602 0.18 1. 0.
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-3.3391321 0.87 1. 0.
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-0.50554586 0.87 2. 0.
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0.53997503 0.46 3. 0.
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-5.5108287 1.4 1. 2.
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-2.6859014 1.67 3. 2.
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-0.48708642 1.3 2. 1.
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-3.6795017 1.03 2. 2.
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-0.072409149 1.01 7. 1.
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11.859925 0.79 1. 2. 2. -0.727 -0.31 1.36 0.932 0. 0. 0.
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-0.003527599 2.4 1. 2. 2. -21.6 -1497. 1.05 0.952 0. 0. 0.
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-1.3583141 1.08 3. 2. 2. -0.79 -0.34 1.17 0.821 0. 0. 0.
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-0.61146101 3.1 2. 2. 2. -1.01 -0.3 1.23 0.873 0. 0. 0.
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-4.318422 0.82 2. 2. 2. -0.928 -0.58 0.79 0.714 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 MD4M 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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38.43 6400.0
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97.16 610.0
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69.73 2480.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for MD4M 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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88.1098538523522166 0.0 !aj, ti for [ai*tau**ti] terms
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-39.5615881787045325 1.0 !aj, ti for [ai*tau**ti] terms
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38.43 6400.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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97.16 610.0
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69.73 2480.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for MD4M 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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? 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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2.09 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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458.99328 !Molar mass [g/mol]
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214.15 !Triple point temperature [K]
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0.000000001033 !Pressure at triple point [kPa]
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2.09 !Density at triple point [mol/L]
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533.9 !Normal boiling point temperature [K]
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0.825 !Acentric factor
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653.2 877.47 0.62235694 !Tc [K], pc [kPa], rhoc [mol/L]
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653.2 0.62235694 !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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1.18492421 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-1.87465636 1.125 1. 0.
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-0.06571351 1.5 1. 0.
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-0.61812689 1.375 2. 0.
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0.19535804 0.25 3. 0.
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0.0005067874 0.875 7. 0.
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1.23544082 0.625 2. 1.
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0.049462708 1.75 5. 1.
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-0.73685283 3.625 1. 2.
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-0.19991438 3.625 4. 2.
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-0.055118673 14.5 3. 3.
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0.028325885 12.0 4. 3.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for MD4M 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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-20.071 0.0
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2.2285 1.0
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-0.0013114 2.0
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2.862e-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 extremely limited data for MD4M.
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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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? Wilcock, D.F., "Vapor Pressure-Viscosity Relations in Methylpolysiloxanes," J. Amer. Chem. Soc., 68:691, 1946.
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? Hurd, C.B., "Studies on Siloxanes. I. The Specific Volume and Viscosity in Relation to Temperature and Constitution," J. Amer. Chem. Soc., 68:364, 1946.
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?
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?The estimated uncertainty of the liquid phase at atmospheric pressure is
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? estimated to be 3%, rising to 10% at pressures to 10 MPa.
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? Data not found for vapor phase; estimated uncertainty is 10%.
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?
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?THERMAL CONDUCTIVITY
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? No experimental data for this fluid found. Estimated uncertainty approximately
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? 10-15% in liquid phase at saturation, larger elsewhere. Estimated uncertainty
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? is 25% for vapor phase.
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?
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?The Lennard-Jones parameters were estimated with the method of Chung.
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?
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!```````````````````````````````````````````````````````````````````````````````
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214.15 !Lower temperature limit [K]
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655.0 !Upper temperature limit [K]
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10000.0 !Upper pressure limit [kPa]
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2.108 !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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0.976 !Lennard-Jones coefficient sigma [nm]
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518.7 !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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0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
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2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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1.45542 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.154807 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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1.91993 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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TK3 !Pointer to critical enhancement auxiliary function
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#AUX !---Auxiliary function for the thermal conductivity critical enhancement
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TK3 !Simplified thermal conductivity critical enhancement for MD4M 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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0.347e-9 !Xi0 (amplitude) [m]
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0.070 !Gam0 (amplitude) [-]
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1.208e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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979.80 !Tref (reference temperature) [K]
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for MD4M 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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653.2 !Critical temperature used in fit (dummy)
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0.040798 1.3323 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for MD4M 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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653.2 840.37 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-9.82500 1.0 !Coefficients and exponents
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1.50300 1.5
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0.00897 0.44
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4.94900 5.66
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-14.9447 3.5
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-6.42050 9.64
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for MD4M 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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653.2 0.57 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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2.5259 0.387 !Coefficients and exponents
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4.055 1.28
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-12.506 1.78
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15.6 2.28
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-6.3 2.827
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for MD4M 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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653.2 0.57 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-3.287 0.4136 !Coefficients and exponents
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-75.9181 1.6253
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173.706 2.02
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-143.6 2.444
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-99.969 6.42
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-260.1 13.9
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@END
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c2345678901234567890123456789012345678901234567890123456789012345678901234567890
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