386 lines
17 KiB
Plaintext
386 lines
17 KiB
Plaintext
Methyl oleate !Short name
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112-62-9 !CAS number
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Methyl cis-9-octadecenoate !Full name
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C19H36O2 !Chemical formula {C19H36O2}
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Methyl ester oleic acid !Synonym
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296.48794 !Molar mass [g/mol]
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253.47 !Triple point temperature [K]
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627.18 !Normal boiling point [K]
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782.0 !Critical temperature [K]
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1246.0 !Critical pressure [kPa]
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0.81285 !Critical density [mol/L]
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0.906 !Acentric factor
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1.63 !Dipole moment [Debye]
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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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FAME !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10- :InChi: !Standard InChI String
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QYDYPVFESGNLHU-KHPPLWFESA-N !Standard InChI Key :InChiKey:
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111888d0 (decane) !Alternative fluid for mixing rules :AltID:
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f300b9e0 !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 M.L. Huber, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 03-25-08 MLH, Original version.
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! 08-27-08 EWL, Add equation of state.
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! 11-20-08 MLH, Add preliminary predictive transport.
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! 08-20-10 IDC, Add ancillary equations.
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! 10-25-10 MLH, Add correlation for therm. cond. based on R. Perkins data.
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! 11-6-10 MLH, Revise ECS viscosity based on fortin 2010 data.
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! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
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! 02-16-17 KG, Add ancillary equations.
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! 11-17-17 MLH, Revise viscosity.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for methyl oleate of Huber et al. (2009).
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:TRUECRITICALPOINT: 782.0 0.81285 !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/ef900159g
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Huber, M.L., Lemmon, E.W., Kazakov, A., Ott, L.S., and Bruno, T.J.,
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? "Model for the Thermodynamic Properties of a Biodiesel Fuel,"
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? Energy & Fuels, 23:3790-3797, 2009.
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?
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?The uncertainties in the liquid phase between 270 K and 350 K are 0.6% for
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? density, 0.4% for speed of sound, and 5% for heat capacity. The uncertainty
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? in vapor pressure between 350 K and 500 K is 5%, and increases at lower
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? temperatures due to the limited data and very low pressures. Uncertainties in
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? the critical region and the vapor phase are unknown due to the lack of data.
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?
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!```````````````````````````````````````````````````````````````````````````````
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253.47 !Lower temperature limit [K]
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1000.0 !Upper temperature limit [K]
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50000.0 !Upper pressure limit [kPa]
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3.05 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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296.48794 !Molar mass [g/mol]
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253.47 !Triple point temperature [K]
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0.0000000003781 !Pressure at triple point [kPa]
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3.05 !Density at triple point [mol/L]
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627.18 !Normal boiling point temperature [K]
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0.906 !Acentric factor
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782.0 1246.0 0.81285 !Tc [K], pc [kPa], rhoc [mol/L]
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782.0 0.81285 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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10 4 3 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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0.04596121 1.0 4. 0. !a(i),t(i),d(i),l(i)
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2.2954 0.34 1. 0.
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-3.554366 1.14 1. 0.
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-0.2291674 1.4 2. 0.
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0.06854534 0.6 3. 0.
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-1.535778 3.3 1. 2.
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-0.7334697 4.1 3. 2.
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1.7127 1.9 2. 1.
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-1.471394 3.8 2. 2.
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-0.01724678 1.3 7. 1.
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2.11547 3.4 1. 2. 2. -1.1 -0.9 1.14 0.79 0. 0. 0.
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-0.7555374 3.8 1. 2. 2. -1.6 -0.65 0.65 0.90 0. 0. 0.
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-0.4134269 4.0 3. 2. 2. -1.1 -0.75 0.77 0.76 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 methyl oleate of Huber et al. (2009).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?TDE 3.0 internal version, March 2008, Planck-Einstein form
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? based on estimation from Joback method, uncertainty 10%.
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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 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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90.2385 0.146118
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234.797 613.529
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335.768 1405.31
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431.66 2867.76
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for methyl oleate of Huber et al. (2009).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?TDE 3.0 internal version, March 2008, Planck-Einstein form
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? based on estimation from Joback method, uncertainty 10%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 3 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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-1.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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230.1791429440617662 0.0 !aj, ti for [ai*tau**ti] terms
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-34.1983488947336269 1.0 !aj, ti for [ai*tau**ti] terms
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10.853200589171168 -0.146118
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28.2395977186635747 613.529
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40.3836217958501607 1405.31
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51.9167823747250523 2867.76
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================================================================================
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#TCX !---Thermal conductivity---
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TC1 !Pure fluid thermal conductivity model for methyl oleate of Perkins and Huber (2011).
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:DOI: 10.1021/ef200417x
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Perkins, R.A. and Huber, M.L.,
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? "Measurement and Correlation of the Thermal Conductivities of Biodiesel Constituent Fluids:
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? Methyl Oleate and Methyl Linoleate,"
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? Energy & Fuels, 25:2383-2388, 2011.
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?
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?The estimated uncertainty of the correlation for the liquid phase is 2.5%. The dilute gas is
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? based on predicted values and uncertainties are larger, on the order of 10-30%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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253.47 !Lower temperature limit [K]
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1000.0 !Upper temperature limit [K]
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50000.0 !Upper pressure limit [kPa]
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3.05 !Maximum density [mol/L]
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4 0 !# terms for dilute gas function: numerator, denominator
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782.0 1.0 !Reducing parameters for T, tcx
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-0.00027125 0.
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0.00259365 1.
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0.0350241 2.
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-0.00902273 3.
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10 0 !# terms for background gas function: numerator, denominator
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782.0 0.81285 1. !Reducing parameters for T, rho, tcx
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-0.0410106 0. 1. 0.
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0.0328443 0. 2. 0.
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-0.00418506 0. 3. 0.
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0.0 0. 4. 0.
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0.0 0. 5. 0.
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0.0606657 1. 1. 0.
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-0.0498407 1. 2. 0.
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0.0121752 1. 3. 0.
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0.0 1. 4. 0.
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0.0 1. 5. 0.
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TK3 !Pointer to critical enhancement auxiliary function
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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@TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Propane reference) for methyl oleate.
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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., (2018) "Models for the Viscosity, Thermal Conductivity, and
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? Surface Tension of Selected Pure Fluids as Implemented in REFPROP v10.0",
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? NISTIR 8209; doi: 10.6028/NIST.IR.8209
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?
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?VISCOSITY
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? Estimated uncertainty approximately 2 % for atm pressure liquid
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? Estimated uncertainty otherwise approximately 10-50%
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? Values based on estimation method of extended corresponding states;
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?
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?THERMAL CONDUCTIVITY
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? Values based on estimation method of
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? extended corresponding states; Estimated uncertainty approximately 10-50%
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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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253.47 !Lower temperature limit [K]
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1000.0 !Upper temperature limit [K]
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10000.0 !Upper pressure limit [kPa] limited pressure range
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3.05 !Maximum density [mol/L]
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FEQ PROPANE.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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0.8668 !Lennard-Jones coefficient sigma [nm] from method Chung=0.809vc*(1/3)A
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620.98 !Lennard-Jones coefficient epsilon/kappa [K] from Chung=Tc/1.2593
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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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1.92477 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.515884 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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7.03972e-2 0. 2. 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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1.190 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 methyl oleate of Olchowy and Sengers (1989).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Olchowy, G.A. and Sengers, J.V.,
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? "A Simplified Representation for the Thermal Conductivity of Fluids in the Critical Region,"
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? Int. J. Thermophys., 10:417-426, 1989. doi: 10.1007/BF01133538
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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9 0 0 0 !# terms: CO2-terms, spare, spare, spare
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1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
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0.63 !Nu (universal exponent)
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1.239 !Gamma (universal exponent)
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1.03 !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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0.194e-9 !Xi0 (amplitude) [m]
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0.0496 !Gam0 (amplitude) [-]
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0.875e-9 !Qd_inverse (modified effective cutoff parameter) [m]; based on butane
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1173.0 !Tref (reference temperature)=1.5*Tc [K]
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********************************************************************************
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@TCX !---Thermal conductivity---
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TC5 !Pure fluid thermal conductivity model for methyl oleate 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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225.68 !Lower temperature limit [K]
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1000. !Upper temperature limit [K]
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50000. !Upper pressure limit [kPa]
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10. !Maximum density [mol/L]
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0.87 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A
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621.0 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593
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0.91 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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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for methyl oleate 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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782. !Critical temperature used in fit (dummy)
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0.0565 1.31 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for methyl oleate of Gao (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., 2017.
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?
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?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
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? are the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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782.0 1246.0 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-13.663 1.0
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13.240 1.5
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-14.122 2.1
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-7.8690 4.9
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-14.347 12.5
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for methyl oleate of Gao (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., 2017.
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?
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?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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782.0 0.81285 !Reducing parameters
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7 0 0 0 0 0 !Number of terms in equation
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8.8882 0.6
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-82.732 1.4
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279.40 1.9
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-505.98 2.5
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642.01 3.2
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-454.98 3.8
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117.86 4.5
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for methyl oleate of Gao (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., 2017.
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?
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?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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782.0 0.81285 !Reducing parameters
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7 0 0 0 0 0 !Number of terms in equation
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-13.220 0.664
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170.88 1.7
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-531.07 2.1
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700.70 2.6
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-410.61 3.1
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-207.26 9.8
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-660.64 21.5
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@END
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