431 lines
21 KiB
Plaintext
431 lines
21 KiB
Plaintext
D4 !Short name
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556-67-2 !CAS number
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Octamethylcyclotetrasiloxane !Full name
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C8H24O4Si4 !Chemical formula {C8H24O4Si4}
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D4 !Synonym
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296.61576 !Molar mass [g/mol]
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290.25 !Triple point temperature [K]
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448.891 !Normal boiling point [K]
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586.5 !Critical temperature [K]
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1347.2 !Critical pressure [kPa]
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1.043 !Critical density [mol/L]
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0.598 !Acentric factor
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1.090 !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/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3 :InChi: !Standard InChI String
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HMMGMWAXVFQUOA-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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b6895470 !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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! and A.Guardone, Dip. Ing. Aerospaziale, Politecnico di Milano, Italy
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! Optimization and done by N.R. Nannan, Delft University of Technology, P&E, Delft, the Netherlands
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! 08-12-04 EWL & AG, original version.
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! 09-13-07 MLH, Add predictive ECS transport.
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! 11-04-07 MLH, Add predictive Chung viscosity.
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! 11-20-07 MLH, Add predictive Chung thermal conductivity.
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! 08-23-10 IDC, Add ancillary equations.
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! 02-14-11 MLH, Revise ECS transport with data.
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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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! 11-09-15 EWL, Add equation of state of Thol et al.
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! 02-05-16 MLH, Revise transport.
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! 02-06-17 MLH, Revise range and uncertainties for ECS transport.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for octamethylcyclotetrasiloxane of Thol et al. (2016).
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:TRUECRITICALPOINT: 586.5 1.043597 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
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:DOI: 10.1021/acs.jced.6b00261
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Rutkai, G., Köster, A., Dubberke, F.H., Windmann, T., Span, R., and Vrabec, J.,
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? "Thermodynamic Properties for Octamethylcyclotetrasiloxane,"
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? J. Chem. Eng. Data, 61(7):2580-2595, 2016.
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?
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?The estimated uncertainty of vapor pressure data from the present equation of state is 1.5 %
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? for T = 460 K and 2 % for higher temperatures. Saturated liquid density data are accurate
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? within 0.1 % for T < 360 K and 0.5 % for higher temperatures. The uncertainty of the
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? homogeneous density at atmospheric pressure is assessed to be 0.1 %. The available
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? experimental data in the high pressure region are not consistent with the present speed
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? of sound measurements so that the equation is assumed to be accurate within only 0.7 %.
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? The expected uncertainty of speed of sound data calculated with the present equation of state is 0.5 %.
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?
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!```````````````````````````````````````````````````````````````````````````````
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290.25 !Lower temperature limit [K]
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590.0 !Upper temperature limit [K]
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180000.0 !Upper pressure limit [kPa]
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3.24 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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296.61576 !Molar mass [g/mol]
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290.25 !Triple point temperature [K]
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0.07307 !Pressure at triple point [kPa]
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3.24 !Density at triple point [mol/L]
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448.891 !Normal boiling point temperature [K]
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0.598 !Acentric factor
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586.5 1347.2 1.043 !Tc [K], pc [kPa], rhoc [mol/L]
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586.5 1.043 !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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0.05273743 1.0 4. 0. !a(i),t(i),d(i),l(i)
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4.176401 0.27 1. 0.
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-4.73707 0.51 1. 0.
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-1.289588 0.998 2. 0.
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0.5272749 0.56 3. 0.
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-2.558391 1.75 1. 2.
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-0.9726737 3.09 3. 2.
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0.7208209 0.79 2. 1.
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-0.4789456 2.71 2. 2.
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-0.05563239 0.998 7. 1.
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3.766589 0.93 1. 2. 2. -0.861 -0.75 1.124 0.926 0. 0. 0.
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0.08786997 3.17 1. 2. 2. -1.114 -0.55 1.388 1.3 0. 0. 0.
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-0.1267646 1.08 3. 2. 2. -1.01 -1.0 1.148 1.114 0. 0. 0.
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-1.004246 1.41 2. 2. 2. -1.11 -0.47 1.197 0.996 0. 0. 0.
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-1.641887 0.89 2. 2. 2. -1.032 -1.36 0.817 0.483 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 octamethylcyclotetrasiloxane of Thol et al. (2016).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Rutkai, G., Köster, A., Dubberke, F.H., Windmann, T., Span, R., and Vrabec, J., 2016.
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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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0.292757 40.0
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38.2456 200.0
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58.975 1800.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for octamethylcyclotetrasiloxane of Thol et al. (2016).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Rutkai, G., Köster, A., Dubberke, F.H., Windmann, T., Span, R., and Vrabec, J., 2016.
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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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71.1636067052411363 0.0 !aj, ti for [ai*tau**ti] terms
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-21.6743664207798616 1.0 !aj, ti for [ai*tau**ti] terms
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0.292757 40.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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38.2456 200.0
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58.975 1800.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for octamethylcyclotetrasiloxane 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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290.25 !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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3.21 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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296.61576 !Molar mass [g/mol]
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290.25 !Triple point temperature [K]
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0.0696 !Pressure at triple point [kPa]
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3.2 !Density at triple point [mol/L]
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448.504 !Normal boiling point temperature [K]
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0.592 !Acentric factor
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586.49127187 1332.0 1.03512231 !Tc [K], pc [kPa], rhoc [mol/L]
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586.49127187 1.03512231 !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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1.05392408 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.22981918 1.125 1. 0.
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0.77573923 1.5 1. 0.
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-0.69374050 1.375 2. 0.
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0.18721557 0.25 3. 0.
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0.0004219333 0.875 7. 0.
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0.70301835 0.625 2. 1.
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0.047851888 1.75 5. 1.
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-0.80253480 3.625 1. 2.
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-0.18968872 3.625 4. 2.
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-0.022211781 14.5 3. 3.
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0.0060103354 12.0 4. 3.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for D4.
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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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-18.256 0.0
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1.4272 1.0
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-0.0009902 2.0
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3.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 D4.
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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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? 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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? 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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?
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?Estimated uncertainty: The estimated uncertainty of the liquid phase at atmospheric
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? pressure is estimated to be 3% at temperatures less than 425 K, rising to 10%
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? at higher temperatures and pressures to 10 MPa, and in the vapor phase.
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?
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?THERMAL CONDUCTIVITY
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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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? 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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?
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?Estimated uncertainty: at temperatures to 513 K and pressures to 10 MPa uncertainty is estimated to be 5%, and larger
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? at higher temperature and pressures. Estimated uncertainty in the 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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290.25 !Lower temperature limit [K]
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590.0 !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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0.798 !Lennard-Jones coefficient sigma [nm] for ECS method
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465.7 !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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3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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2.42579 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.871777 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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0.137283 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
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2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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1.43353 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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0.0407501 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 D4 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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0.298e-9 !Xi0 (amplitude) [m]
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0.064 !Gam0 (amplitude) [-]
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0.983e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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879.75 !Tref (reference temperature) [K]
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********************************************************************************
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@TCX !---Thermal conductivity---
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TC5 !Pure fluid thermal conductivity model for D4 of Chung et al. (1988).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Chung, T-H., Ajlan, M., Lee, L.L. and Starling, K.E.
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? "Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties"
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? Ind. Eng. Chem. Res. 1998, 27, 671-679.
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?
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!```````````````````````````````````````````````````````````````````````````````
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290.25 !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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3.21 !Maximum density [mol/L]
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0.8 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A
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465.73 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593
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0.592 0. 0. !w, mur, kappa for Chung
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0 !Additional parameters for Chung
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TK3 !Pointer to critical enhancement auxiliary function
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@ETA !---Viscosity---
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VS5 !Pure fluid viscosity model for D4 of Chung et al. (1988).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Chung, T-H., Ajlan, M., Lee, L.L. and Starling, K.E.
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? "Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties"
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? Ind. Eng. Chem. Res. 1998, 27, 671-679.
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?
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!```````````````````````````````````````````````````````````````````````````````
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290.25 !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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3.21 !Maximum density [mol/L]
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1 !Number of terms associated with dilute-gas function
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NUL !Pointer to reduced effective collision cross-section model; not used
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0.8 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A
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465.73 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593
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1.0 1.0 !Reducing parameters for T, eta
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0.36782171 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term]
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0 !Number of terms for initial density dependence
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0.592 0. 0. 0. 0 !w, mur, kappa for Chung
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0 !Additional parameters for Chung
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NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for D4 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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586.5 !Critical temperature used in fit (dummy)
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0.04246 1.207 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for D4 of Thol et al. (2016).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
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? are the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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586.5 1347.2 !Reducing parameters
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|
5 0 0 0 0 0 !Number of terms in equation
|
|
-9.2842 1.0
|
|
3.8173 1.5
|
|
-4.4415 2.1
|
|
-6.9289 3.9
|
|
-7.7628 15.0
|
|
|
|
|
|
#DL !---Saturated liquid density---
|
|
DL1 !Saturated liquid density equation for D4 of Thol et al. (2016).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
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?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
|
|
? the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
586.5 1.043 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
2.7216 0.38
|
|
-1.5754 0.89
|
|
3.9887 1.44
|
|
-3.7683 2.06
|
|
1.9445 2.78
|
|
|
|
|
|
#DV !---Saturated vapor density---
|
|
DV3 !Saturated vapor density equation for D4 of Thol et al. (2016).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
|
|
? the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
586.5 1.043 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
-3.745 0.416
|
|
-9.2075 1.35
|
|
-71.786 3.8
|
|
108.85 4.8
|
|
-141.61 5.8
|
|
-227.19 14.0
|
|
|
|
|
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@END
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