752 lines
37 KiB
Plaintext
752 lines
37 KiB
Plaintext
Ethanol !Short name
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64-17-5 !CAS number
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Ethyl alcohol !Full name
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C2H6O !Chemical formula {C2H6O}
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Methyl carbinol !Synonym
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46.06844 !Molar mass [g/mol]
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159.0 !Triple point temperature [K]
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351.57 !Normal boiling point [K]
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514.71 !Critical temperature [K]
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6268. !Critical pressure [kPa]
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5.93 !Critical density [mol/L]
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0.646 !Acentric factor
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1.6909 !Dipole moment [Debye]; DIPPR DIADEM 2004
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NBP !Default reference state
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10.0 !Version number
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1170 !UN Number :UN:
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alcohol !Family :Family:
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1382.761 !Heating value (upper) [kJ/mol] :Heat:
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1S/C2H6O/c1-2-3/h3H,2H2,1H3 !Standard InChI String :InChi:
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LFQSCWFLJHTTHZ-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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c41aa690 (methanol) !Alternative fluid for mixing rules :AltID:
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3d5f67e0 !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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! 11-21-02 EWL, Original version.
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! 07-01-04 EWL, Add published equation of Penoncello.
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! 10-07-04 MLH, Add TPR coefficients.
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! 11-19-04 MLH, Add VS1, TC1 models.
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! 01-23-07 MLH, Add ECS model for transport.
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! 11-14-07 MLH, Add Sun and Ely EOS.
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! 08-19-10 IDC, Add ancillary equations.
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! 11-28-11 EWL, Add Schroeder equation of state.
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! 12-15-11 EWL, Change reference state from IIR to NBP.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 01-11-13 MLH, Add thermal conducitivity model of Assael (2013).
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! 11-19-15 EWL, Add surface tension coefficients of Mulero et al. (2015).
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! 05-15-17 MLH, Change Tref in tcx enhancement to match manuscript.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for ethanol of Schroeder et al. (2014).
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:TRUECRITICALPOINT: 514.71 5.93 !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: 10.1063/1.4895394
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Schroeder, J.A., Penoncello, S.G., and Schroeder, J.S.,
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? "A New Fundamental Equation for Ethanol,"
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? J. Phys. Chem. Ref. Data, 43, 043102, 2014.
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? doi: 10.1063/1.4895394
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?
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?The uncertainty in densities is 0.2%, in heat capacities is 1-2%, and in speed
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? of sound is 1%. Values of the vapor pressure and saturated vapor densities are
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? represented to within 1% at temperatures of 300 K and above, while those of
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? saturated liquid densities are represented to within 0.3% at temperatures of 200
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? K and above. The uncertainty of all properties is higher in the critical region
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? and near the triple point.
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?
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!```````````````````````````````````````````````````````````````````````````````
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159.0 !Lower temperature limit [K]
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650.0 !Upper temperature limit [K]
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280000.0 !Upper pressure limit [kPa]
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19.74 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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46.06844 !Molar mass [g/mol]
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159.0 !Triple point temperature [K]
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0.0000007184 !Pressure at triple point [kPa]
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19.731 !Density at triple point [mol/L]
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351.57 !Normal boiling point temperature [K]
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0.646 !Acentric factor
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514.71 6268.0 5.93 !Tc [K], pc [kPa], rhoc [mol/L]
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514.71 5.93 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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16 4 9 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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0.058200796 1.0 4. 0. !a(i),t(i),d(i),l(i)
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0.94391227 1.04 1. 0.
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-0.80941908 2.72 1. 0.
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0.55359038 1.174 2. 0.
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-1.4269032 1.329 2. 0.
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0.13448717 0.195 3. 0.
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0.42671978 2.43 1. 1.
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-1.1700261 1.274 1. 1.
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-0.92405872 4.16 1. 2.
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0.34891808 3.3 3. 1.
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-0.91327720 4.177 3. 2.
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0.022629481 2.5 2. 1.
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-0.15513423 0.81 2. 2.
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0.21055146 2.02 6. 1.
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-0.21997690 1.606 6. 1.
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-0.0065857238 0.86 8. 1.
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0.75564749 2.5 1. 2. 2. -1.075 -1.207 1.194 0.779 0. 0. 0.
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0.10694110 3.72 1. 2. 2. -0.463 -0.0895 1.986 0.805 0. 0. 0.
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-0.069533844 1.19 2. 2. 2. -0.876 -0.581 1.583 1.869 0. 0. 0.
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-0.24947395 3.25 3. 2. 2. -1.108 -0.947 0.756 0.694 0. 0. 0.
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0.027177891 3.0 3. 2. 2. -0.741 -2.356 0.495 1.312 0. 0. 0.
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-0.0009053953 2.0 2. 2. 2. -4.032 -27.01 1.002 2.054 0. 0. 0.
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-0.12310953 2.0 2. 2. 2. -2.453 -4.542 1.077 0.441 0. 0. 0.
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-0.08977971 1.0 2. 2. 2. -2.3 -1.287 1.493 0.793 0. 0. 0.
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-0.39512601 1.0 1. 2. 2. -3.143 -3.090 1.542 0.313 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 ethanol of Schroeder et al. (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Schroeder, J.A., Penoncello, S.G., and Schroeder, J.S., 2014.
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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 8.314472 !Reducing parameters for T, Cp0
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1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.43069 0.0
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2.14326 420.4
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5.09206 1334.0
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6.60138 1958.0
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5.70777 4420.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for ethanol of Schroeder et al. (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Schroeder, J.A., Penoncello, S.G., and Schroeder, J.S., 2014.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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3.43069 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-3.6443990342909416 0.0 !aj, ti for [ai*tau**ti] terms
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5.0708070582887474 1.0 !aj, ti for [ai*tau**ti] terms
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2.14326 420.4 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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5.09206 1334.0
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6.60138 1958.0
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5.70777 4420.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for ethanol.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Schroeder, J.A., Penoncello, S.G., and Schroeder, J.S., 2014.
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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 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
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3.43069 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-12.7413 0.0 !aj, ti for [ai*tau**ti] terms
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9.38398 1.0
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2.14326 -0.816771 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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5.09206 -2.59175
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6.60138 -3.80408
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5.70777 -8.58736
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for ethanol of Dillon and Penoncello (2004).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Dillon, H.E. and Penoncello, S.G., "A Fundamental Equation for
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? Calculation of the Thermodynamic Properties of Ethanol,"
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? Int. J. Thermophys., 25(2):321-335, 2004.
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?
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?The uncertainties in the equation of state are 0.2% in density, 3% in heat
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? capacities, 1% in speed of sound, and 0.5% in vapor pressure and saturation
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? densities.
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?
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!```````````````````````````````````````````````````````````````````````````````
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250.0 !Lower temperature limit [K]
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650.0 !Upper temperature limit [K]
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280000.0 !Upper pressure limit [kPa]
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19.4 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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46.06844 !Molar mass [g/mol]
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159. !Triple point temperature [K]
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0.00000088 !Pressure at triple point [kPa]
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19.4 !Density at triple point [mol/L]
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351.39 !Normal boiling point temperature [K]
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0.644 !Acentric factor
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513.9 6148.0 5.991 !Tc [K], pc [kPa], rhoc [mol/L]
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513.9 5.991 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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23 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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11.4008942201 -0.5 1. 0. !a(i),t(i),d(i),l(i)
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-39.5227128302 0.0 1. 0.
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41.306340837 0.5 1. 0.
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-18.8892923721 1.5 1. 0.
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4.7231031414 2.0 1. 0.
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-0.00778322827052 5.0 1. 0.
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0.171707850032 -0.5 2. 0.
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-1.53758307602 1.0 2. 0.
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1.42405508571 2.0 2. 0.
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0.132732097050 0.0 3. 0.
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-0.114231649761 2.5 3. 0.
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0.327686088736E-5 6.0 6. 0.
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0.000495699527725 2.0 7. 0.
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-0.701090149558E-4 2.0 8. 0.
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-0.225019381648E-5 4.0 8. 0.
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-0.255406026981 5.0 1. 2.
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-0.0632036870646 3.0 3. 2.
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-0.0314882729522 7.0 3. 2.
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0.0256187828185 5.5 6. 2.
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-0.0308694499382 4.0 7. 2.
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0.00722046283076 1.0 8. 2.
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0.00299286406225 22.0 2. 4.
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0.000972795913095 23.0 7. 4.
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@EOS !---Equation of state---
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FE2 !Helmholtz equation of state for ethanol of Sun and Ely (2004).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Sun, L. and Ely, J.F.,
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? "Universal equation of state for engineering application: Algorithm and
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? application to non-polar and polar fluids,"
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? Fluid Phase Equilib., 222-223:107-118, 2004.
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?
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!```````````````````````````````````````````````````````````````````````````````
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159.1 !Lower temperature limit [K]
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650.0 !Upper temperature limit [K]
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280000.0 !Upper pressure limit [kPa]
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19.6 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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46.07 !Molar mass [g/mol]
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159.1 !Triple point temperature [K]
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0.00000064 !Pressure at triple point [kPa]
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19.55 !Density at triple point [mol/L]
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351.74 !Normal boiling point temperature [K]
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0.637 !Acentric factor
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513.92 6132.0 5.990883 !Tc [K], pc [kPa], rhoc [mol/L]
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513.92 5.990883 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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14 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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-2.95455387 1.5 1. 0. !a(i),t(i),d(i),l(i)
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1.95055493 0.25 1. 0.
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-1.31612955 1.25 1. 0.
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-0.0147547651 0.25 3. 0.
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1.39251945e-4 0.875 7. 0.
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0.504178939 1.375 2. 0.
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0.252310166 0.0 1. 1.
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1.97074652 2.375 1. 1.
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0.873146115 2.0 2. 1.
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0.0427767205 2.125 5. 1.
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0.0968966545 3.5 1. 2.
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-0.839632113 6.5 1. 2.
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-0.0771828521 4.75 4. 2.
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0.0163430744 12.5 2. 3.
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@EOS !---Cubic equation of state---
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PRT !Translated Peng-Robinson equation for ethanol.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Volume translation of Peng Robinson EOS.
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? Translation computed so that density at Tr=0.7 matches FEQ Helmholtz equation
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? of state for ethanol of Dillon and Penoncello (2004).
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?
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!```````````````````````````````````````````````````````````````````````````````
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250.0 !Lower temperature limit [K]
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650.0 !Upper temperature limit [K]
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280000.0 !Upper pressure limit [kPa]
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19.4 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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46.06844 !Molar mass [g/mol]
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0.644 !Acentric factor
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513.9 !Critical temperature [K]
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6148. !Critical pressure [kPa]
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5.991 !Critical density [mol/L]
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8.314472 !Gas constant [J/mol-K]
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1 !Number of parameters
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0.0043733
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for ethanol.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Dillon, H.E. and Penoncello, S.G., "A Fundamental Equation for
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? Calculation of the Thermodynamic Properties of Ethanol,"
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? Int. J. Thermophys., 25(2):321-335, 2004.
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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 8.314472 !Reducing parameters for T, Cp0
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1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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6.41129 0.0
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1.95989 694.0
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7.60084 1549.0
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3.89583 2911.0
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4.23238 4659.0
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS1 !Pure fluid viscosity model for ethanol of Huber (2005).
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:DOI: 10.1021/ie050010e
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Kiselev, S.B., Ely, J.F., Abdulagatov, I.M., and Huber, M.L.,
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? "Generalized SAFT-DFT/DMT Model for the Thermodynamic, Interfacial, and
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? Transport Properties of Associating Fluids: Application for n-Alkanols,"
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? Ind. Eng. Chem. Res., 44:6916-6927, 2005.
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?
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?The estimated uncertainty in the liquid phase along the saturation boundary is approximately 3%,
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? increasing to 10 % at pressures to 100 MPa, and is estimated as 10 % in the vapor phase.
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? Comparisons with selected data are given below.
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?
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?DATA SOURCES FOR VISCOSITY
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? Golubev, I.F. and Petrov, V.A., Trudy GIAP 2, 5, 1953, as given in I.F. Golubev, Viscosity of Gases and Gas Mixtures. A Handbook. Israel Program for Scientific Translations, Jerusalem, 1970.
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? Assael, M.J. and Polimatidou, S.K. Int. J. Thermophys., 15:95-107, 1994.
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? Phillips, T.W. and Murphy, K.P., ASHRAE Trans., 77(II):146-156, 1970.
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? Average absolute deviations of the fit from the experimental data are:
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? Golubev: avg 1.86% (max 6.87); Assael: avg 0.73% (max. -1.72); Phillips: avg 1.13% (max 1.71).
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?
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?The Lennard-Jones parameters were taken from Reid, R.C., Prausnitz, J.M., and Poling, B.E., "The Properties of Gases and Liquids," 4th edition, New York, McGraw-Hill Book Company, 1987.
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?
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!```````````````````````````````````````````````````````````````````````````````
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159.0 !Lower temperature limit [K]
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650.0 !Upper temperature limit [K]
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280000.0 !Upper pressure limit [kPa]
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19.74 !Maximum density [mol/L]
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4 !Number of terms associated with dilute-gas function
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CI1 !Pointer to reduced effective collision cross-section model
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0.453 !Lennard-Jones coefficient sigma [nm]
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362.6 !Lennard-Jones coefficient epsilon/kappa [K]
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1.0 1.0 !Reducing parameters for T, eta
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0.0 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term]not used in this formulation
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-1.03116 0.0 !Ao coeff from TDE
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0.0348379 1.0 !A1 coeff from TDE
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-6.50264e-6 2.0 !A2 coeff from TDE
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9 !Number of terms for initial density dependence
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362.6 0.0559816 !Reducing parameters for T (=eps/k), etaB2 (= 0.6022137*sigma**3)
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-19.572881 0.0 !Coefficient, power in T* = T/(eps/k)
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219.73999 -0.25
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-1015.3226 -0.5
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2471.0125 -0.75
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-3375.1717 -1.0
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2491.6597 -1.25
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-787.26086 -1.5
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14.085455 -2.5
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-0.34664158 -5.5
|
||
2 7 1 2 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
|
||
513.9 5.991 1000.0 !Reducing parameters for T, rho, eta
|
||
-3.38264465 0.0 0. 0. 0 ! c10
|
||
12.7568864 0.5 0. 0. 0 ! c8
|
||
0.131194057 0.0 2. 0. 0 ! beta14; powers of tau, del, del0; power of del in exponential [0= no exp.]
|
||
-0.0805700894 0.0 3. 0. 0 ! beta15; powers of tau, del, del0; power of del in exponential [0= no exp.]
|
||
-0.382240694 -1.0 2. 0. 0 ! beta16; powers of tau, del, del0; power of del in exponential [0= no exp.]
|
||
0.153811778 -1.0 3. 0. 0 ! beta17; powers of tau, del, del0; power of del in exponential [0= no exp.]
|
||
0.0 -2.0 2. 0. 0 ! beta18; powers of tau, del, del0; power of del in exponential [0= no exp.]
|
||
-0.110578307 -2.0 3. 0. 0 ! beta19; powers of tau, del, del0; power of del in exponential [0= no exp.]
|
||
-23.7222995 0.0 1. -1. 0 ! beta7 over del0 term
|
||
23.7222995 0.0 1. 0. 0 ! beta7 in non-simple poly term
|
||
1.0 0.0 0. 1. 0 ! del0 term in denominator
|
||
-1.0 0.0 1. 0. 0 ! -del term in denominator
|
||
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
||
|
||
|
||
#AUX !---Auxiliary function for the collision integral
|
||
CI1 !Reduced effective collision cross-section model (empirical form in log(T*)) for ethanol.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
2 !Number of terms
|
||
0.0 0 !Coefficient, power of Tstar
|
||
0.0 1 !Coefficient, power of Tstar
|
||
|
||
|
||
|
||
|
||
================================================================================
|
||
|
||
#TCX !---Thermal conductivity---
|
||
TC1 !Pure fluid thermal conductivity model for ethanol of Assael et al. (2013).
|
||
:DOI: 10.1063/1.4797368
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Assael, M.J., Sykioti, E.A., Huber, M.L., and Perkins, R.A.,
|
||
? "Reference Correlation of the Thermal Conductivity of Ethanol
|
||
? From the Triple Point to 600 K and up to 245 MPa,"
|
||
? J. Phys. Chem. Ref. Data, 42(2), 023102, 2013.
|
||
? doi: 10.1063/1.4797368
|
||
?
|
||
?The overall uncertainty is estimated, for pressures less than 250 MPa and
|
||
? temperatures less than 600 K, to be less than 4.6%. Larger uncertainties
|
||
? in the critical region.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
159.0 !Lower temperature limit [K]
|
||
1000. !Upper temperature limit [K]
|
||
280000.0 !Upper pressure limit [kPa]
|
||
19.74 !Maximum density [mol/L]
|
||
6 3 !# terms for dilute gas function: numerator, denominator
|
||
514.71 0.001 !Reducing parameters for T, tcx
|
||
-2.09575 0. !Coefficient, power in T
|
||
19.9045 1.
|
||
-53.964 2.
|
||
82.1223 3.
|
||
-1.98864 4.
|
||
-0.495513 5.
|
||
0.172230 0.
|
||
-0.078273 1.
|
||
1.0 2.
|
||
12 0 !# terms for background gas function: numerator, denominator
|
||
514.71 5.93 1. !Reducing parameters for T, rho, tcx
|
||
0.0267222 0. 1. 0.
|
||
0.148279 0. 2. 0.
|
||
-0.130429 0. 3. 0.
|
||
0.0346232 0. 4. 0.
|
||
-0.00244293 0. 5. 0.
|
||
0.0 0. 6. 0.
|
||
0.0177166 1. 1. 0.
|
||
-0.0893088 1. 2. 0.
|
||
0.0684664 1. 3. 0.
|
||
-0.0145702 1. 4. 0.
|
||
0.000809189 1. 5. 0.
|
||
0.0 1. 6. 0.
|
||
TK3 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
#AUX !---Auxiliary function for the thermal conductivity critical enhancement
|
||
TK3 !Simplified thermal conductivity critical enhancement for ethanol of Assael et al. (2013).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Assael, M.J., Sykioti, E.A., Huber, M.L., and Perkins, R.A., 2013.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
9 0 0 0 !# terms: CO2-terms, spare, spare, spare
|
||
1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
|
||
0.63 !Nu (universal exponent)
|
||
1.239 !Gamma (universal exponent)
|
||
1.02 !R0 (universal amplitude)
|
||
0.063 !Z (universal exponent--not used for t.c., only viscosity)
|
||
1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
|
||
0.164296e-9 !Xi0 (amplitude) [m]
|
||
0.05885 !Gam0 (amplitude) [-]
|
||
0.53e-9 !Qd_inverse (modified effective cutoff parameter) [m]; fitted to data
|
||
772.06 !Tref (reference temperature)=1.5*Tc [K]
|
||
|
||
|
||
|
||
|
||
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||
|
||
@TRN !---ECS Transport---
|
||
ECS !Extended Corresponding States model (Propane reference); predictive mode for ethanol.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
|
||
?Unpublished; uses method described in the following reference:
|
||
?Huber, M.L., Laesecke, A., and Perkins, R.A.
|
||
? "Model for the Viscosity and Thermal Conductivity of Refrigerants, Including
|
||
? a New Correlation for the Viscosity of R134a,"
|
||
? Ind. Eng. Chem. Res., 42(13):3163-3178, 2003. doi: 10.1021/ie0300880
|
||
?
|
||
?The Lennard-Jones parameters were taken from Reid, R.C., Prausnitz, J.M., and Poling, B.E., "The Properties of Gases and Liquids," 4th edition, New York, McGraw-Hill Book Company, 1987.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
159.0 !Lower temperature limit [K]
|
||
800.0 !Upper temperature limit [K]
|
||
280000.0 !Upper pressure limit [kPa]
|
||
19.74 !Maximum density [mol/L]
|
||
FEQ PROPANE.FLD
|
||
VS1 !Model for reference fluid viscosity
|
||
TC1 !Model for reference fluid thermal conductivity
|
||
NUL !Large molecule identifier
|
||
1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
|
||
0.453 !Lennard-Jones coefficient sigma [nm]
|
||
362.6 !Lennard-Jones coefficient epsilon/kappa [K]
|
||
1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
|
||
0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
|
||
1 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
|
||
1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
|
||
1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
TK3 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
|
||
|
||
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||
|
||
#STN !---Surface tension---
|
||
ST1 !Surface tension model for ethanol of Mulero et al. (2015).
|
||
:DOI: 10.1063/1.4940883
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Mulero, A., Cachadi<64>a, I., and Sanjuan, E.L.,
|
||
? "Surface Tension of Alcohols. Data Selection and Recommended Correlations,"
|
||
? J. Phys. Chem. Ref. Data, 44, 033104, 2015.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
3 !Number of terms in surface tension model
|
||
514. !Critical temperature used in fit (dummy)
|
||
0.0628594 1.04726 !Sigma0 and n
|
||
-29.4208 4.34139
|
||
29.4913 4.34996
|
||
|
||
|
||
#PS !---Vapor pressure---
|
||
PS5 !Vapor pressure equation for ethanol of Lemmon (2011).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W., 2011.
|
||
?
|
||
?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
|
||
? are the reducing parameters below, which are followed by rows containing Ni and ti.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
514.71 6268.0 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-9.1043 1.0
|
||
4.7263 1.5
|
||
-9.7145 2.0
|
||
4.1536 2.55
|
||
-2.0739 4.0
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for ethanol of Lemmon (2011).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W., 2011.
|
||
?
|
||
?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. !
|
||
514.71 5.93 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
11.632 0.66
|
||
-218.66 1.5
|
||
826.94 1.9
|
||
-1351.2 2.3
|
||
1051.7 2.7
|
||
-318.09 3.1
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for ethanol of Lemmon (2017).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, E.W., 2017.
|
||
?
|
||
?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. !
|
||
514.71 5.93 !Reducing parameters
|
||
8 0 0 0 0 0 !Number of terms in equation
|
||
160.386 0.49
|
||
-302.488 0.55
|
||
504.347 0.84
|
||
-735.211 1.1
|
||
868.411 1.5
|
||
-528.497 1.7
|
||
-55.7818 6.0
|
||
-124.911 13.0
|
||
|
||
|
||
@END
|
||
c 1 2 3 4 5 6 7 8
|
||
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
||
|
||
|
||
@EOS !Equation of state specification
|
||
FE1 Helmholtz equation of state for ethanol of Dillon (2002).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Dillon, H.E., A Fundamental Equation for the Fluid Ethanol,
|
||
? M.S. Thesis, University of Idaho, June 2002.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
250.0 !Lower temperature limit [K]
|
||
700.0 !Upper temperature limit [K]
|
||
500000.0 !Upper pressure limit [kPa]
|
||
25.0 !Maximum density [mol/L]
|
||
CP1 !Pointer to Cp0 model
|
||
46.06844 !Molar mass [g/mol]
|
||
159. !Triple point temperature [K]
|
||
0. !Pressure at triple point [kPa]
|
||
0. !Density at triple point [mol/L]
|
||
351.5 !Normal boiling point temperature [K]
|
||
0.644 !Acentric factor
|
||
513.93 6130.9 5.991 !Tc [K], pc [kPa], rhoc [mol/L]
|
||
513.93 5.991 !Reducing parameters [K, mol/L]
|
||
8.314472 !Gas constant [J/mol-K]
|
||
29 4 0 0 0 0 !# terms, # coeff/term for: "normal" terms, critical, spare
|
||
-4.32470443124 -0.5 1. 0. !a(i),t(i),d(i),l(i)
|
||
9.21539898014 0.0 1. 0.
|
||
-6.4399657061 1.0 1. 0.
|
||
-0.281653322770 3.0 1. 0.
|
||
0.00890836058495 5.0 1. 0.
|
||
-0.909134284311 -0.5 2. 0.
|
||
2.19138080584 1.5 2. 0.
|
||
0.791940007266 0.0 3. 0.
|
||
-1.30548829433 1.0 3. 0.
|
||
0.0491877136631 1.0 5. 0.
|
||
-0.00310296304028 2.0 5. 0.
|
||
-0.00614254752364 0.0 6. 0.
|
||
-0.00012208367705 2.0 7. 0.
|
||
-0.182097403712e-6 4.0 8. 0.
|
||
2.02993887472 5.0 1. 2.
|
||
-1.52365113526 6.0 1. 2.
|
||
-0.687369663302 3.5 2. 2.
|
||
-0.238798680561 7.5 2. 2.
|
||
0.227274759703 7.0 3. 2.
|
||
0.182042299025 1.0 5. 2.
|
||
-0.0463563036283 3.0 5. 2.
|
||
-0.014909373393 8.5 6. 2.
|
||
-0.123856775688 4.0 7. 2.
|
||
0.0272658175959 6.5 8. 2.
|
||
0.0168990897201 1.0 9. 2.
|
||
-0.0046262547403 5.5 10. 2.
|
||
0.276056951849 18.0 3. 4.
|
||
-0.387533387659 23.0 4. 4.
|
||
0.160568376613 23.0 5. 4.
|
||
|
||
|
||
@AUX !---Auxiliary model specification for Cp0
|
||
CP1 ideal gas heat capacity function
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Dillon, H.E., A Fundamental Equation for the Fluid Ethanol,
|
||
? M.S. Thesis, University of Idaho, June 2002.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
1.0 8.314472 !Reducing parameters for T, Cp0
|
||
1 19 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
||
5.717100351 0.0
|
||
1.051454612 614.3542
|
||
0.980072167 1152.454
|
||
0.970532209 1261.8
|
||
0.957254077 1496.319
|
||
0.955938949 1535.166
|
||
0.954504118 1588.4
|
||
0.952428715 1786.95
|
||
0.952542351 1827.24
|
||
0.95310786 1899.18
|
||
0.954584212 2001.32
|
||
0.869432723 2094.85
|
||
0.869432723 2094.85
|
||
0.869432723 2094.85
|
||
0.990703931 4012.73
|
||
0.990703931 4012.73
|
||
0.991092888 4300.48
|
||
0.991092888 4300.48
|
||
0.991092888 4300.48
|
||
0.999442065 5307.62
|
||
|
||
@TCX !Thermal conductivity model specification
|
||
TC1 correlation of Kiselev et al. (2005).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Kiselev, S. B., Ely, J. F., Abdulagatov, I. M., Huber, M. L., "Generalized SAFT-DFT/DMT Model for the
|
||
? Thermodynamic, Interfacial, and Transport Properties of Associating Fluids: Application for n-Alkanols",
|
||
? Ind. Eng. Chem. Res., 2005, 44, 6916-6927.
|
||
? Note: Did not implement this one because critical enhancement is Sergeis' format that is not programmed yet
|
||
? It is difficult to separate the residual and critical enhancement terms.
|
||
?
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
160.0 !Lower temperature limit [K]
|
||
800. !Upper temperature limit [K]
|
||
280000.0 !Upper pressure limit [kPa]
|
||
19.4 !Maximum density [mol/L]
|
||
1 3 !# terms for dilute gas function: numerator, denominator
|
||
1.0 1.0 !Reducing parameters for T, tcx
|
||
-0.010109 0.6475 !Coefficient, power in T
|
||
1.0 0.
|
||
-7332. -1.
|
||
-268000.0 -2.
|
||
10 0 !# terms for background gas function: numerator, denominator
|
||
513.9 5.991 1. !Reducing parameters for T, rho, tcx
|
||
0.106917458 0. 1. 0. !Coefficient, powers of T, rho, spare for future use
|
||
-0.059589787 1. 1. 0.
|
||
-0.0865012441 0. 2. 0.
|
||
0.0614073818 1. 2. 0.
|
||
0.0212220237 0. 3. 0.
|
||
-0.0100317135 1. 3. 0.
|
||
0.0 0. 4. 0.
|
||
0.0 1. 4. 0.
|
||
0.0 0. 5. 0.
|
||
0.0 1. 5. 0.
|
||
TK? !Uses Sergei's crossover model
|