376 lines
18 KiB
Plaintext
376 lines
18 KiB
Plaintext
MD2M !Short name
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141-62-8 !CAS number
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Decamethyltetrasiloxane !Full name
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C10H30Si4O3 !Chemical formula {C10H30Si4O3}
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MD2M !Synonym
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310.6854 !Molar mass [g/mol]
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205.2 !Triple point temperature [K]
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467.59 !Normal boiling point [K]
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599.4 !Critical temperature [K]
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1144.0 !Critical pressure [kPa]
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0.864 !Critical density [mol/L]
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0.635 !Acentric factor
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1.120 !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/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3 :InChi: !Standard InChI String
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YFCGDEUVHLPRCZ-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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63e16330 !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 T.M. Blackham, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 04-19-10 TMB, Original version.
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! 08-23-10 IDC, Add ancillary 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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! 01-26-16 MLH, Revise transport.
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! 09-27-16 MT, Add equation of state of Toris and Thol (2017).
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! 02-06-17 MLH, Refit transport with new EOS of Toris and Thol.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for MD2M of Thol et al. (2017).
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:TRUECRITICALPOINT: 599.4 0.864 !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.7b00092
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Dubberke, F.H, Baumhögger, E., Vrabec, J., and Span, R.,
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? "Speed of Sound Measurements and Fundamental Equations of State
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? for Octamethyltrisiloxane and Decamethyltetrasiloxane,"
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? J. Chem. Eng. Data, 62:2633-2648, 2017. doi: 10.1021/acs.jced.7b00092
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?
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?The equations for MDM and MD2m are valid from the triple point temperature up
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? to a maximum temperature of Tmax,MDM = 570 K and Tmax,MD2M = 600 K with a
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? maximum pressure of 130 MPa. The uncertainty in density calculated with the new
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? equations of state is 0.15 %. The speed of sound can be reproduced with an
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? uncertainty of 0.3 % for MDM and 0.2 % for MD2M. The uncertainty of vapor
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? pressure calculations is 0.5 %.
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?
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!```````````````````````````````````````````````````````````````````````````````
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205.2 !Lower temperature limit [K]
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600.0 !Upper temperature limit [K]
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130000.0 !Upper pressure limit [kPa]
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3.039 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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310.6854 !Molar mass [g/mol]
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205.2 !Triple point temperature [K]
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0.0000003127 !Pressure at triple point [kPa]
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3.038 !Density at triple point [mol/L]
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467.59 !Normal boiling point temperature [K]
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0.635 !Acentric factor
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599.4 1144.0 0.864 !Tc [K], pc [kPa], rhoc [mol/L]
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599.4 0.864 !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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0.01458333 1.0 4. 0. !a(i),t(i),d(i),l(i)
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3.227554 0.319 1. 0.
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-3.503565 0.829 1. 0.
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-2.017391 0.78 2. 0.
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0.8606129 0.687 3. 0.
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-2.196015 1.29 1. 2.
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-0.9289014 3.91 3. 2.
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2.02774 0.77 2. 1.
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-0.9168439 3.055 2. 2.
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-0.06383507 1.013 7. 1.
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2.674255 1.07 1. 2. 2. -0.982 -0.7323 1.042 0.874 0. 0. 0.
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0.04662529 1.89 1. 2. 2. -2.7 -0.543 1.1 1.43 0. 0. 0.
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-0.3835361 1.133 3. 2. 2. -1.347 -1.26 1.146 0.855 0. 0. 0.
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-0.4273462 0.826 2. 2. 2. -0.864 -0.878 1.085 0.815 0. 0. 0.
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-1.148009 0.83 2. 2. 2. -1.149 -2.22 0.6844 0.491 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 MD2M of Thol et al. (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Dubberke, F.H, Baumhögger, E., Vrabec, J., and Span, R., 2017.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.3144598 !Reducing parameters for T, Cp0
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1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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28.59 20.0
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56.42 1180.0
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50.12 4240.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for MD2M of Thol et al. (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Thol, M., Dubberke, F.H, Baumhögger, E., Vrabec, J., and Span, R., 2017.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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131.0897269329452683 0.0 !aj, ti for [ai*tau**ti] terms
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-26.3839153013827854 1.0 !aj, ti for [ai*tau**ti] terms
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28.59 20.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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56.42 1180.0
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50.12 4240.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for MD2M of Colonna et al. (2008).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Colonna, P., Nannan, N.R., and Guardone, A.,
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? "Multiparameter Equations of State for Siloxanes,"
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? Fluid Phase Equilibria, 263:115-130, 2008. doi: 10.1016/j.fluid.2007.10.001
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?
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!```````````````````````````````````````````````````````````````````````````````
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205.2 !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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3.033 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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310.685 !Molar mass [g/mol]
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205.2 !Triple point temperature [K]
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0.0000004795 !Pressure at triple point [kPa]
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3.032 !Density at triple point [mol/L]
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467.51 !Normal boiling point temperature [K]
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0.668 !Acentric factor
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599.40 1227.0 0.9146616015 !Tc [K], pc [kPa], rhoc [mol/L]
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599.40 0.9146616015 !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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1.33840331 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.62939393 1.125 1. 0.
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0.43983830 1.5 1. 0.
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-0.53496715 1.375 2. 0.
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0.18188440 0.25 3. 0.
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0.00040774609 0.875 7. 0.
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1.13444506 0.625 2. 1.
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0.05774631 1.75 5. 1.
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-0.59174980 3.625 1. 2.
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-0.11020225 3.625 4. 2.
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-0.034942635 14.5 3. 3.
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0.007646298 12.0 4. 3.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for MD2M.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Colonna, P., Nannan, N.R., and Guardone, A.,
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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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1 0 1 1 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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331.9 0.0
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329620742.8 -2.0 795.1 -1.0 -2.0
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2556558319.0 -2.0 1813.8 -1.0 -2.0
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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 MD2M.
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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., 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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? 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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? Wilcock, D.F., "Vapor Pressure-Viscosity Relations in Methylpolysiloxanes," J. Amer. Chem. Soc., 68:691, 1946.
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?
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?Estimated uncertainty of correlation for liquid phase is 3% at atmospheric
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? pressure, up to 10% for 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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? Abbas, R., Ihmels, E.C., Enders, S., 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 in the liquid phase is 5% at pressures to 10 MPa.
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? Data in vapor phase unavailable; estimated uncertainty 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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205.2 !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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3.04 !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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0.849 !Lennard-Jones coefficient sigma [nm]
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476.0 !Lennard-Jones coefficient epsilon/kappa [K]
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1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.00132 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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1.41415 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.14233 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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3 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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3.48369 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-1.34356 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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0.23613 0. 2. 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 MD2M 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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0.311e-9 !Xi0 (amplitude) [m]
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0.066 !Gam0 (amplitude) [-]
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1.049e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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899.10 !Tref (reference temperature) [K]
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for MD2M 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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599.4 !Critical temperature used in fit (dummy)
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0.0456 1.41 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for MD2M of Thol et al. (2017).
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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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599.4 1144.0 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-10.174 1.0
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9.607 1.5
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-10.08 1.83
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-7.242 4.15
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-30.56 17.8
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for MD2M of Thol et al. (2017).
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?
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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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599.4 0.864 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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8.215 0.498
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-24.65 0.855
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47.23 1.22
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-42.44 1.60
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15.18 2.04
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for MD2M of Thol et al. (2017).
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?
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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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599.4 0.864 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-4.5483 0.428
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-101.989 2.32
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224.06 2.8
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-182.79 3.3
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-110.45 8.5
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-330.87 17.5
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@END
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