712 lines
34 KiB
Plaintext
712 lines
34 KiB
Plaintext
Methanol !Short name
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67-56-1 !CAS number
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Methanol !Full name
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CH3OH !Chemical formula {CH4O}
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Methyl alcohol !Synonym
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32.04216 !Molar mass [g/mol]
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175.61 !Triple point temperature [K]
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337.632 !Normal boiling point [K]
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512.6 !Critical temperature [K]
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8103.5 !Critical pressure [kPa]
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8.6 !Critical density [mol/L]
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0.5625 !Acentric factor
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1.7 !Dipole moment [Debye]; Reid, Prausnitz, & Poling, McGraw-Hill (1987)
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NBP !Default reference state
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10.0 !Version number
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1230 !UN Number :UN:
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alcohol !Family :Family:
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764.09 !Heating value (upper) [kJ/mol] :Heat:
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2.8 !GWP (IPCC 2007) :GWP:
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1S/CH4O/c1-2/h2H,1H3 !Standard InChI String :InChi:
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OKKJLVBELUTLKV-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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3d5f67e0 (ethanol) !Alternative fluid for mixing rules :AltID:
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c41aa690 !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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! 04-06-98 EWL, Original version.
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! 11-18-98 EWL, Add equation of state of Polt et al. (1992).
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! 08-25-06 MLH, Add viscosity and thermal conductivity models VS0, TC1, TK3.
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! 12-02-06 MLH, Update references.
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! 01-23-07 MLH, Add ECS transport model.
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! 11-14-07 MLH, Add Sun and Ely EOS.
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! 07-05-10 CKL, Add density ancillary equations.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 11-26-13 MLH, Add new thermal conductivity formulation.
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! 05-15-17 EWL, Change the hard coded VS0 model to the VS7 reverse Polish notation.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for methanol of de Reuck and Craven (1993).
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:TRUECRITICALPOINT: 513.38 8.78517 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
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:DOI:
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?
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?```````````````````````````````````````````````````````````````````````````````
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?de Reuck, K.M. and Craven, R.J.B.,
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? "Methanol, International Thermodynamic Tables of the Fluid State-12,"
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? IUPAC, Blackwell Scientific Publications, London, 1993.
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?
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?The uncertainties of the equation of state are generally 0.1% in density
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? and 2% in the speed of sound, except in the critical region and high pressures.
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?
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!```````````````````````````````````````````````````````````````````````````````
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175.61 !Lower temperature limit [K]
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620.0 !Upper temperature limit [K]
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800000.0 !Upper pressure limit [kPa]
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35.57 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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32.04216 !Molar mass [g/mol]
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175.61 !Triple point temperature [K]
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0.00018629 !Pressure at triple point [kPa]
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28.230 !Density at triple point [mol/L]
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337.632 !Normal boiling point temperature [K]
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0.5625 !Acentric factor
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513.38 8215.85 8.78517 !Tc [K], pc [kPa], rhoc [mol/L]
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513.38 8.78517 !Reducing parameters [K, mol/L]
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8.31448 !Gas constant [J/mol-K]
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36 5 8 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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-2.80062505988 0. 1. 0. 0. !a(i),t(i),d(i),l(i)
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12.5636372418 1. 1. 0. 0.
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-13.0310563173 2. 1. 0. 0.
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3.2659313406 3. 1. 0. 0.
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-4.11425343805 1. 2. 0. 0.
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3.46397741254 2. 2. 0. 0.
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-0.083644396759 3. 2. 0. 0.
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-0.369240098923 4. 2. 0. 0.
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0.00313180842152 6. 2. 0. 0.
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0.603201474111 0. 3. 0. 0.
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-0.231158593638 3. 3. 0. 0.
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0.106114844945 4. 3. 0. 0.
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-0.0792228164995 0. 4. 0. 0.
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-0.422419150975e-4 7. 4. 0. 0.
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0.00758196739214 1. 5. 0. 0.
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-0.244617434701e-4 6. 6. 0. 0.
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0.115080328802e-5 7. 7. 0. 0.
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-12.5099747447 1. 1. 2. 1.01733510223052
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27.0392835391 2. 1. 2. 1.01733510223052
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-21.2070717086 3. 1. 2. 1.01733510223052
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6.3279947227 4. 1. 2. 1.01733510223052
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14.3687921636 1. 2. 2. 1.01733510223052
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-28.7450766617 2. 2. 2. 1.01733510223052
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18.5397216068 3. 2. 2. 1.01733510223052
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-3.88720372879 5. 2. 2. 1.01733510223052
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-4.16602487963 1. 3. 2. 1.01733510223052
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5.29665875982 2. 4. 2. 1.01733510223052
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0.509360272812 1. 5. 2. 1.01733510223052
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-3.30257604839 2. 5. 2. 1.01733510223052
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-0.311045210826 4. 5. 2. 1.01733510223052
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0.273460830583 5. 5. 2. 1.01733510223052
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0.518916583979 2. 6. 2. 1.01733510223052
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-0.00227570803104 5. 9. 2. 1.01733510223052
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0.0211658196182 9. 6. 4. 1.03497071023039
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-0.0114335123221 14. 6. 4. 1.03497071023039
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0.00249860798459 19. 4. 6. 1.05291203329783
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-8.19291988442 0. 1. 2. 1. -4.06934040892209 3.8940745646517 1.54080254509371 0. 0. 0. 0.
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0.478601004557 0. 1. 3. 1. -8.20892015621185 3.8940745646517 1.54080254509371 0. 0. 0. 0.
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-0.444161392885 0. 1. 2. 1. -9.15601592007471 3.8940745646517 1.54080254509371 0. 0. 0. 0.
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0.17962181041 0. 1. 4. 1. -83.8326275286616 3.8940745646517 1.54080254509371 0. 0. 0. 0.
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-0.687602278259 0. 1. 2. 1. -16.2773616356884 3.8940745646517 1.54080254509371 0. 0. 0. 0.
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2.40459848295 0. 3. 3. 1. -27.705105527215 23.0649031906293 1.08389789427588 0. 0. 0. 0.
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-6.88463987466 0. 3. 2. 1. -16.2773616356884 23.0649031906293 1.08389789427588 0. 0. 0. 0.
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1.13992982501 0. 3. 4. 1. -264.95250181898 23.0649031906293 1.08389789427588 0. 0. 0. 0.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for methanol of de Reuck and Craven (1993).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?de Reuck, K.M. and Craven, R.J.B., 1993.
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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 8.31448 !Reducing parameters for T, Cp0
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1 7 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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3.9007912 0.0
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10.992677 2115.01542
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18.33683 1676.18569
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-16.366004 1935.16717
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-6.2332348 1504.97016
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2.8035363 4222.83691
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1.0778099 5296.17127
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0.96965697 273.36934
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for methanol of de Reuck and Craven (1993).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?de Reuck, K.M. and Craven, R.J.B., 1993.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 7 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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2.9007912 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-4.4231521797113365 0.0 !aj, ti for [ai*tau**ti] terms
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5.4815623918310443 1.0 !aj, ti for [ai*tau**ti] terms
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10.992677 2115.01542 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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18.33683 1676.18569
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-16.366004 1935.16717
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-6.2332348 1504.97016
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2.8035363 4222.83691
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1.0778099 5296.17127
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0.96965697 273.36934
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE2 !Helmholtz equation of state for methanol 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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175.59 !Lower temperature limit [K]
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620.0 !Upper temperature limit [K]
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800000.0 !Upper pressure limit [kPa]
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40. !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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32.04 !Molar mass [g/mol]
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175.59 !Triple point temperature [K]
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0.1 !Pressure at triple point [kPa]
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40. !Density at triple point [mol/L]
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300. !Normal boiling point temperature [K]
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0.566 !Acentric factor
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512.6 8104.0 8.662422 !Tc [K], pc [kPa], rhoc [mol/L]
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512.6 8.662422 !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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-5.24578394 1.5 1. 0. !a(i),t(i),d(i),l(i)
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1.39060027 0.25 1. 0.
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0.856114069 1.25 1. 0.
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-0.0420843418 0.25 3. 0.
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3.63682442e-5 0.875 7. 0.
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0.705598662 1.375 2. 0.
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0.370573369 0.0 1. 1.
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2.46303468 2.375 1. 1.
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1.50253790 2.0 2. 1.
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0.0747553687 2.125 5. 1.
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-0.306417876 3.5 1. 2.
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-0.748402758 6.5 1. 2.
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-0.101432849 4.75 4. 2.
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0.0806830693 12.5 2. 3.
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for methanol of Polt et al. (1992).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Polt, A., Platzer, B., and Maurer, G.,
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? "Parameter der thermischen Zustandsgleichung von Bender fuer 14
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? mehratomige reine Stoffe,"
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? Chem. Tech. (Leipzig), 44(6):216-224, 1992.
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?
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!```````````````````````````````````````````````````````````````````````````````
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298.0 !Lower temperature limit [K]
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703.0 !Upper temperature limit [K]
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63000.0 !Upper pressure limit [kPa]
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26.0625 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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32.0 !Molar mass [g/mol]
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175.61 !Triple point temperature [K]
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16.803 !Pressure at triple point [kPa]
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24.576 !Density at triple point [mol/L]
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337.68 !Normal boiling point temperature [K]
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0.5654 !Acentric factor
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512.58 8103.0 8.5 !Tc [K], pc [kPa], rhoc [mol/L]
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512.58 8.5 !Reducing parameters [K, mol/L]
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8.3143 !Gas constant [J/mol-K]
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22 5 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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-4.12043979985 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
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5.41210456547 4. 0. 0. 0.
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-0.974639417666 5. 0. 0. 0.
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-0.909437999343 0. 1. 0. 0.
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-0.143467597275 1. 1. 0. 0.
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5.57052459597 2. 1. 0. 0.
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-6.97445416557 3. 1. 0. 0.
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0.860535902136 4. 1. 0. 0.
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2.44117735035 0. 2. 0. 0.
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-4.49073510921 1. 2. 0. 0.
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2.23855290012 2. 2. 0. 0.
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-0.717336537940 0. 3. 0. 0.
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0.876135006507 1. 3. 0. 0.
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0.151777405466 0. 4. 0. 0.
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-0.233178058896 1. 4. 0. 0.
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0.0140022534721 1. 5. 0. 0.
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4.12043979985 3. 0. 2. 0.591872
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-5.41210456547 4. 0. 2. 0.591872
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0.974639417666 5. 0. 2. 0.591872
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-0.4642672133 3. 2. 2. 0.591872
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0.944015617353 4. 2. 2. 0.591872
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-0.449348200461 5. 2. 2. 0.591872
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for methanol.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Polt, A., Platzer, B., and Maurer, G.,
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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 32.0 !Reducing parameters for T, Cp0
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5 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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0.96422 0.0
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0.0000532325 1.0
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0.00000672819 2.0
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-0.768411e-8 3.0
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0.27522e-11 4.0
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS7 !Pure fluid viscosity model for methanol of Xiang et al. (2006).
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:DOI: 10.1063/1.2360605
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Xiang, H.W., Laesecke, A., and Huber, M.L.,
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? "A New Reference Correlation for the Viscosity of Methanol,"
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? J. Phys. Chem. Ref. Data, 35(4):1597-1620, 2006.
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?
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?Estimated uncertainty 0.6% in the dilute gas from room T to 630 K, 2% for
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? the liquid at pressures up to 30 MPa between 273 and 343 K,
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? 3% for pressures from 30 MPa to 100 MPa, 5% for the liquid from 100 to 500 MPa,
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? 10% for 500 MPa to 800 MPa.
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?
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!```````````````````````````````````````````````````````````````````````````````
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175.61 !Lower temperature limit [K]
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620.0 !Upper temperature limit [K]
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800000.0 !Upper pressure limit [kPa]
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35.57 !Maximum density [mol/L]
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NUL !Omega model
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!
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!Variables (u0,b,gd,cf)
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$VR RED SUM:1 SUMEX:1 CNST * + SUMEX:1 CNST * +
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$VR SUM:1 SUMEX:1 CNST * + SUMEX:1 CNST * +
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$VR CNST * 1 + * INV CNST * TEMP SQRT * =V1 ! V1 is eta0 in Eq. 3
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!
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!Dilute gas
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$DG V1 CNST *
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!
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!Residual function
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$RF RED SUM:16 CUBE SUM:1 * =V2 ! V2 is b *D under Eq. 16
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$RF 1 V2 8 / - 1 V2 4 / - CUBE INV * =V3 ! V3 is g in Eq. 16
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$RF SUM:1 5 - EXP 1 + INV =V4 ! V4 is f in Eq. 18
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$RF RED SUMEX:1 SUM:1 * SUM:9 SUM:1 * + 1 + V1 * V4 * !Eqs. 13 and 14
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$RF V3 INV V2 CNST * + CNST V3 * V2 SQR * + V1 * 1 V4 - * + V1 - !Eqs. 15 and 18
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!
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!Coefficients
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$CF
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1.0 577.87 1. 0. 0 !Reducing parameters for eta, T, rho
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1.16145 -0.14874 0. 0. 0 ! ai
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-0.77320 1. 0. 0. 0
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0.52487 0. 0. 0. 0
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-2.43787 1. 0. 0. 0
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2.16178 0. 0. 0. 0
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0.10225 -0.97346 0. 0. 0
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-0.34528 1. 0. 0. 0
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0.10657 0. 0. 0. 0
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-2.58055 1. 0. 0. 0
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-0.44557 0. 0. 0. 0
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0.209304408 0. 0. 0. 0
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1.3010769266e-6 0. 0. 0. 0
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1.e+6 0. 0. 0. 0
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1.0 512.6 8.52002486723741 0. 0 !Reducing parameters for eta, T, rho
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-1.181909 0. 0. 0. 0 ! di
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0.5031030 -1. 0. 0. 0
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-0.6268461 -2. 0. 0. 0
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0.5169312 -3. 0. 0. 0
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-0.2351349 -4. 0. 0. 0
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0.053980235 -5. 0. 0. 0
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-0.0049069617 -6. 0. 0. 0
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4.018368 0. 1. 0. 0 ! ei
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-4.239180 0. 2. 0. 0
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2.245110 0. 3. 0. 0
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-0.5750698 0. 4. 0. 0
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0.023021026 0. 5. 0. 0
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0.025696775 0. 6. 0. 0
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-0.0068372749 0. 7. 0. 0
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7.2707189e-4 0. 8. 0. 0
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-2.9255711e-5 0. 9. 0. 0
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4. 0. 1. 0. 0
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5. 0. 1. 0. 0
|
||
1.e+6 577.87 41.9517741858221 0. 0 !Reducing parameters for eta, T, rho
|
||
9.990338 -0.5 0. 0. 0 ! ci
|
||
18.6222085e-4 3. 2. 0. 0
|
||
-19.572881 0. 0. 0. 0 ! bi
|
||
219.73999 -0.25 0. 0. 0
|
||
-1015.3226 -0.5 0. 0. 0
|
||
2471.01251 -0.75 0. 0. 0
|
||
-3375.1717 -1. 0. 0. 0
|
||
2491.6597 -1.25 0. 0. 0
|
||
-787.26086 -1.5 0. 0. 0
|
||
14.085455 -2.5 0. 0. 0
|
||
-0.34664158 -5.5 0. 0. 0
|
||
1.0 0. 1. 0. 0
|
||
0.8 0. 0. 0. 0
|
||
0.761 0. 0. 0. 0
|
||
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
||
|
||
|
||
|
||
|
||
================================================================================
|
||
|
||
#TCX !---Thermal conductivity---
|
||
TC1 !Pure fluid thermal conductivity model for methanol of Sykioti et al. (2013).
|
||
:DOI: 10.1063/1.4829449
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Sykioti, E.A., Assael, M.J., Huber, M.L., and Perkins, R.A.,
|
||
? "Reference Correlation of the Thermal Conductivity of Methanol
|
||
? from the Triple Point to 660 K and up to 245 MPa,"
|
||
? J. Phys. Chem. Ref. Data, 42, 043101, 2013.
|
||
?
|
||
?Estimated uncertainty in thermal conductivity is 4.4%
|
||
? except near critical where the uncertainties are larger.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
175.61 !Lower temperature limit [K]
|
||
1620.0 !Upper temperature limit [K]
|
||
800000.0 !Upper pressure limit [kPa]
|
||
35.57 !Maximum density [mol/L]
|
||
6 5 !# terms for dilute gas function: numerator, denominator
|
||
512.6 0.001 !Reducing parameters for T, tcx
|
||
-3.57796 0. !Coefficient, power in T
|
||
62.9638 1.
|
||
-37.3047 2.
|
||
-52.1182 3.
|
||
231.607 4.
|
||
44.1575 5.
|
||
3.33313 0.
|
||
-6.08398 1.
|
||
8.18739 2.
|
||
-0.261074 3.
|
||
1.0 4.
|
||
10 0 !# terms for background gas function: numerator, denominator
|
||
512.6 8.6 1. !Reducing parameters for T, rho, tcx
|
||
0.0556918 0. 1. 0.
|
||
0.112174 0. 2. 0.
|
||
-0.0843893 0. 3. 0.
|
||
0.0197525 0. 4. 0.
|
||
-0.0015253 0. 5. 0.
|
||
0.0104771 1. 1. 0.
|
||
-0.0745272 1. 2. 0.
|
||
0.0637569 1. 3. 0.
|
||
-0.0246826 1. 4. 0.
|
||
0.00434656 1. 5. 0.
|
||
TK3 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
#AUX !---Auxiliary function for the thermal conductivity critical enhancement
|
||
TK3 !Simplified thermal conductivity critical enhancement for methanol of Olchowy and Sengers (1989).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Olchowy, G.A. and Sengers, J.V.,
|
||
? "A Simplified Representation for the Thermal Conductivity of Fluids in the Critical Region,"
|
||
? Int. J. Thermophys., 10:417-426, 1989. doi: 10.1007/BF01133538
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
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)
|
||
1.03 !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)
|
||
0.1487e-9 !Xi0 (amplitude) [m]
|
||
0.05283 !Gam0 (amplitude) [-]
|
||
0.7e-9 !Qd_inverse (modified effective cutoff parameter) [m]; from Kiselev et al. (2005)
|
||
768.9 !Tref (reference temperature)=1.5*Tc [K]
|
||
|
||
|
||
|
||
|
||
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||
|
||
@TRN !---ECS Transport---
|
||
ECS !Extended Corresponding States model (Propane reference); predictive mode for methanol.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?*** 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.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
175.61 !Lower temperature limit [K]
|
||
620.0 !Upper temperature limit [K]
|
||
800000.0 !Upper pressure limit [kPa]
|
||
35.57 !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)
|
||
0.3626 !Lennard-Jones coefficient sigma [nm]
|
||
481.8 !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 methanol of Mulero et al. (2012).
|
||
:DOI: 10.1063/1.4768782
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Mulero, A., Cachadi<64>a, I., and Parra, M.I.,
|
||
? "Recommended Correlations for the Surface Tension of Common Fluids,"
|
||
? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
3 !Number of terms in surface tension model
|
||
513.38 !Critical temperature used in fit (dummy)
|
||
0.22421 1.3355 !Sigma0 and n
|
||
-0.21408 1.677
|
||
0.083233 4.4402
|
||
|
||
|
||
#MLT !---Melting line---
|
||
ML1 !Melting line model for methanol of de Reuck and Craven (1993).
|
||
:DOI: 10.1016/j.fluid.2013.03.024
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?de Reuck, K.M. and Craven, R.J.B.,
|
||
? "Methanol, International Thermodynamic Tables of the Fluid State-12,"
|
||
? IUPAC, Blackwell Scientific Publications, London, 1993.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
175.61 !Lower temperature limit [K]
|
||
620.0 !Upper temperature limit [K]
|
||
0. !
|
||
0. !
|
||
175.61 0.000187 !Reducing temperature and pressure
|
||
1 3 0 0 0 0 !Number of terms in melting line equation
|
||
1.0 0.0 !Coefficients and exponents
|
||
5320770000.0 1.0
|
||
4524780000.0 1.5
|
||
3.888861e+10 4.0
|
||
|
||
|
||
#PS !---Vapor pressure---
|
||
PS5 !Vapor pressure equation for methanol of Lemmon (2017).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?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. !
|
||
513.38 8215.85 !Reducing parameters
|
||
4 0 0 0 0 0 !Number of terms in equation
|
||
-8.7414 1.0
|
||
1.5035 1.5
|
||
-2.8720 2.5
|
||
-0.51345 5.0
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for methanol of Lemmon (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, C.K. and Lemmon, E.W., 2010.
|
||
?
|
||
?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. !
|
||
513.38 8.78517 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
0.060230 0.1
|
||
18.855 0.65
|
||
-27.626 0.79
|
||
11.213 0.95
|
||
0.69039 4.4
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for methanol of Lemmon (2017).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, C.K. and 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. !
|
||
513.38 8.78517 !Reducing parameters
|
||
8 0 0 0 0 0 !Number of terms in equation
|
||
-3.52208 0.39
|
||
-105.223 1.7
|
||
1341.606 2.4
|
||
-2899.24 2.8
|
||
8542.128 3.8
|
||
-16947.63 4.4
|
||
10717.58 4.8
|
||
-791.782 6.7
|
||
|
||
|
||
@END
|
||
c 1 2 3 4 5 6 7 8
|
||
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
||
0.3626 !Lennard-Jones coefficient sigma [nm] for ECS method
|
||
481.8 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|
||
|
||
@TCX !Thermal conductivity model specification
|
||
TC1 pure fluid thermal conductivity model of Perkins 2002
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Unpublished preliminary correlation, NIST, MLH, Aug. 2006
|
||
?
|
||
?Dilute gas correlation from DIPPR DIADEM 2004 v2.7.3 (dippr@byu.edu)
|
||
? functional form for excess contribution from pure fluid thermal conductivity
|
||
? model of Perkins (2002) J. Chem. Eng. Data, 47(5):1272-1279.
|
||
?
|
||
?Estimated uncertainty in thermal conductivity is 3% for the liquid at pressures up to
|
||
? 60 MPa, 5% for the gas, and estimated to be 10% in the supercritical
|
||
? region, except near critical where the uncertainties are larger.
|
||
?
|
||
?DATA SOURCES FOR THERMAL CONDUCTIVITY
|
||
? Naziev, Y. M., Bashirov, M. M., Abdulagatov, I. M. (2004), "High-temperature and high-pressure experimental thermal conductivity for the pure methanol and binary systems methanol + n-propanol, methanol + n-octanol, and methanol + n-undecanol", Fluid Phase Equilibria 226:221-235. doi: 10.1016/j.fluid.2004.08.033
|
||
? Assael, M. J., Charitidou, E., Nieto de Castro, C. A. (1988) "Absolute measurements of the thermal conductivity of alcohols by the transient hot-wire technique", Int. J. Thermophys., 9:813 doi: 10.1007/BF00503247
|
||
? Raal, J.D., Rijsdijk, R.L. (1981) "Measurement of Alcohol Thermal Conductivities Using a Relative Strain-Compensated Hot-Wire Method," J. Chem. Eng. Data, 26, 351 doi: 10.1021/je00026a001
|
||
? Average absolute deviations of the fit from the experimental data are:
|
||
? Naziev et al.: 3.1% (max 30%); Assael et al.: 0.8% (max -1.7),
|
||
? Raal and Rijsdijk: 1.1% (max 3.0%)
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
175.61 !Lower temperature limit [K]
|
||
620.0 !Upper temperature limit [K]
|
||
800000.0 !Upper pressure limit [kPa]
|
||
35.57 !Maximum density [mol/L]
|
||
1 0 !# terms for dilute gas function: numerator, denominator
|
||
1.0 1. !Reducing parameters for T, tcx
|
||
5.7992e-7 1.7862 !Coefficient, power in T
|
||
6 0 !# terms for background gas function: numerator, denominator
|
||
513.38 8.78517 1. !Reducing parameters for T, rho, tcx
|
||
0.405435 0. 1. 0. !Coefficient, powers of T, rho, spare for future use
|
||
-0.293791 1. 1. 0.
|
||
-0.289002 0. 2. 0.
|
||
0.22689 1. 2. 0.
|
||
0.0579019 0. 3. 0.
|
||
-0.0399576 1. 3. 0.
|
||
TK3 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
@AUX !---Thermal conductivity critical enhancement model
|
||
TK3 simplified thermal conductivity critical enhancement of Olchowy and Sengers (1989).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Olchowy, G.A. and Sengers, J.V.,
|
||
? "A simplified representation for the thermal conductivity of fluids in the critical region,"
|
||
? Int. J. Thermophysics, 10:417-426, 1989. doi: 10.1007/BF01133538
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
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)
|
||
1.03 !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)
|
||
0.194e-9 !xi0 (amplitude) [m]
|
||
0.0496 !gam0 (amplitude) [-]
|
||
0.342e-9 !qd_inverse (modified effective cutoff parameter) [m]; from Kiselev et al. (2005)
|
||
768.9 !Tref (reference temperature)=1.5*Tc [K]
|
||
|
||
|
||
@ETA !Viscosity model specification
|
||
VS0 pure fluid viscosity model of Xiang et al. (2006).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Xiang, H.W., Laesecke, A., and Huber, M.L. "A New Reference
|
||
? Correlation for the Viscosity of Methanol",
|
||
? J. Phys. Chem. Ref. Data, 35(4):1597-1620, 2006.
|
||
?
|
||
?Estimated uncertainty 0.6% in the dilute gas from room T to 630K, 2% for
|
||
? the liquid at pressures up to 30 MPA between 273 and 343 K,
|
||
? 3% for pressures from 30 MPa to 100 MPa, 5% for the liquid from 100 to 500 MPa,
|
||
? 10% for 500 MPa to 800 MPa.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
175.61 !Lower temperature limit [K]
|
||
620.0 !Upper temperature limit [K]
|
||
800000.0 !Upper pressure limit [kPa]
|
||
35.57 !Maximum density [mol/L]
|
||
MEO !Pointer to hardcoded viscosity model
|
||
0 1 1 0 0 0 0 0 !Number of terms for various pieces
|
||
1.0 1.0 1.0 !Reducing parameters for T, rho, eta
|
||
0. 0. 0. 0. 0 !Dilute gas coeffs
|
||
0. 0. 0. 0. 0 !Residual coeffs
|
||
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|