314 lines
15 KiB
Plaintext
314 lines
15 KiB
Plaintext
Ethylene glycol !Short name
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107-21-1 !CAS number
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1,2-Ethandiol !Full name
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OH(CH2CH2)OH !Chemical formula {C2H6O2}
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Glycol alcohol !Synonym
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62.06784 !Molar mass [g/mol]
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260.6 !Triple point temperature [K]
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470.313 !Normal boiling point [K]
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719.0 !Critical temperature [K]
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10508.7 !Critical pressure [kPa]
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5.88 !Critical density [mol/L]
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0.619 !Acentric factor
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2.41 !Dipole moment [Debye] McClellan, A.L., "Tables of Experimental Dipole Moments, " Rahara Enterprises, El Cerrito, CA, Vol. 3 (1989)
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NBP !Default reference state
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10.0 !Version number
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3082 !UN Number :UN:
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other !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 !Standard InChI String :InChi:
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LYCAIKOWRPUZTN-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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7d1768e0 !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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! 11-27-06 EWL, Original version.
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! 03-11-09 EWL, Add transport routines.
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! 08-20-10 IDC, Add ancillary equations.
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! 03-25-14 MLH, Add surface tension.
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! 12-31-14 EWL, Refit equation of state.
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! 05-04-17 MLH, Prelim vis and therm con ecs fits added with revised EOS, revised surft with revised Tc.
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! 04-23-18 EWL, Add final equation of state of Zhou and Lemmon (2018).
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! 04-24-18 MLH, Revised transport and surface tension with final EOS.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for ethylene glycol of Zhou and Lemmon (2018).
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:TRUECRITICALPOINT: 719.0 5.88 !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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?Zhou, Y. and Lemmon, E.W.,
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? unpublished equation, 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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260.6 !Lower temperature limit [K]
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750.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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18.31 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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62.06784 !Molar mass [g/mol]
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260.6 !Triple point temperature [K] (NIST Chemistry Webbook)
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0.0002366 !Pressure at triple point [kPa]
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18.30 !Density at triple point [mol/L]
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470.313 !Normal boiling point temperature [K]
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0.619 !Acentric factor
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719.0 10508.7 5.88 !Tc [K], pc [kPa], rhoc [mol/L]
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719.0 5.88 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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14 4 7 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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0.019393376 1.0 5. 0. !a(i),t(i),d(i),l(i)
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1.2215576 0.1 1. 0.
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1.2751617 1.27 1. 0.
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-3.6681302 1.244 1. 0.
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-1.4660821 1.1 2. 0.
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0.24628603 0.32 3. 0.
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-0.063217756 1.0 4. 0.
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1.4131488 0.89 2. 1.
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3.5245547 1.2 3. 1.
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-2.2658015 1.34 3. 1.
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0.94972119 1.3 4. 1.
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-0.13037392 1.49 5. 1.
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0.19881857 1.23 6. 1.
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-0.022141839 0.18 7. 1.
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1.1273408 1.1 1. 2. 2. -0.9 -0.91 1.17 1.37 0. 0. 0.
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-0.12188623 0.75 1. 2. 2. -1.35 -1.25 1.49 0.4 0. 0. 0.
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-0.79487875 0.79 2. 2. 2. -0.8 -0.97 1.3 1. 0. 0. 0.
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-0.024231918 0.77 3. 2. 2. -1.9 -0.5 1.5 2.45 0. 0. 0.
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-0.00574040155 0.6 4. 2. 2. -2.0 -1.0 1.2 1.9 0. 0. 0.
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0.0083087704 1.0 5. 2. 2. -1.3 -0.42 1.2 2. 0. 0. 0.
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-0.041852456 1.0 3. 2. 2. -20.0 -1000.0 1.07 0.9 0. 0. 0.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for ethylene glycol of Zhou and Lemmon (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y. and Lemmon, E.W., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.3144598 !Reducing parameters for T, Cp0
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1 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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20.86 1260.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for ethylene glycol of Zhou and Lemmon (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y. and Lemmon, E.W., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 1 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-1.2230958209345886 0.0 !aj, ti for [ai*tau**ti] terms
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3.8389800933704281 1.0 !aj, ti for [ai*tau**ti] terms
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20.86 1260.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Propane reference)
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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? *** ESTIMATION METHOD--- NOT STANDARD REFERENCE QUALITY---
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?
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?Based on comparisons to limited liquid-phase thermal conductivity data, uncertainty of the thermal conductivity
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? is estimated to be 2% for the liquid phase at atmospheric pressure between 298 K and 452 K.
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? Gas-phase thermal conductivity data are unavailable, and uncertainty is estimated to be 20%.
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?
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?Based on comparisons to limited liquid-phase viscosity data, uncertainty I estimated to
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? be 4% for the liquid phase between 288 K and 373 K at atmospheric pressure.
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? At pressures up to 10 MPa the uncertainty rises to 20%.
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? Gas-phase viscosity data is unavailable, uncertainty is estimated to be 20%.
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?
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?Uses method described in the following reference:
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? Huber, M.L., Laesecke, A., and Perkins, R.A.,
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? "Model for the Viscosity and Thermal Conductivity of Refrigerants, Including
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? a New Correlation for the Viscosity of R134a,"
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? Ind. Eng. Chem. Res., 42(13):3163-3178, 2003. doi: 10.1021/ie0300880
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?
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?The Lennard-Jones parameters were estimated with the method of Chung.
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?
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!```````````````````````````````````````````````````````````````````````````````
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260.0 !Lower temperature limit [K]
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750.0 !Upper temperature limit [K]
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10000.0 !Upper pressure limit [kPa]
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18.31 !Maximum density [mol/L]
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FEQ PROPANE.FLD
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VS1 !Model for reference fluid viscosity
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TC1 !Model for reference fluid thermal conductivity
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NUL !Large molecule identifier
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.4482 !Lennard-Jones coefficient sigma [nm] for ECS method
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570.95 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
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1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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1.32e-3 0. 0. 0. !Coefficient, power of T, spare1, spare2
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4 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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0.864168 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-2.30208e-3 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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-1.83225e-3 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
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9.04878e-3 0. 3. 0. !Coefficient, power of Tr, power of Dr, spare
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2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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1.79177 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.275354 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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TK3 !Pointer to critical enhancement auxiliary function
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#AUX !---Auxiliary function for the thermal conductivity critical enhancement
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TK3 !Simplified thermal conductivity critical enhancement for ethylene glycol of Perkins et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
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? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
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? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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9 0 0 0 !# terms: CO2-terms, spare, spare, spare
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1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
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0.63 !Nu (universal exponent)
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1.239 !Gamma (universal exponent)
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1.02 !R0 (universal amplitude)
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0.063 !Z (universal exponent--not used for t.c., only viscosity)
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1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
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0.166e-9 !Xi0 (amplitude) [m]
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0.073 !Gam0 (amplitude) [-]
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5.42e-10 !Qd_inverse (modified effective cutoff parameter) [m]; arbitrary guess
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1078.5 !Tref (reference temperature)=1.5*Tc [K]
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for ethylene glycol of Huber (2018).
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Fit to the data of:
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? Azizian, S. and Hemmati, M., "Surface Tension of Binary Mixtures of Ethanol + Ethylene Glycol from 20 to 50 °C," J. Chem. Eng. Data, 48:662-663, 2003. doi: 10.1021/je025639s
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? Azizian, S. and Bashavard, N., "Surface Tensions of Dilute Solutions of Cycloheptanol in Ethylene Glycol," J. Chem. Eng. Data, 50:1091-1094, 2005. doi: 10.1021/je050055m
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? Rafati, A.A., Bagheri, A., and Najafi, M., "Surface Tension of Non-Ideal Binary and Ternary Liquid Mixtures at Various Temperatures and p = 81.5 kPa," J. Chem. Thermodyn., 43:248-254, 2011. doi: 10.1016/j.jct.2010.09.003
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? Estimated uncertainty for 283-323 K is 2%.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1 !Number of terms in surface tension model
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719.0 !Critical temperature used in fit (dummy)
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0.0731084 0.776849 !sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for ethylene glycol of Zhou and Lemmon (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou and Lemmon, 2018.
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?
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?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
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? are the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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719.0 10508.7 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-10.193 1.0
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6.7548 1.5
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-6.0404 1.9
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-3.869 3.64
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-8.4146 18.0
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for ethylene glycol of Zhou and Lemmon (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou and Lemmon, 2018.
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?
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?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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719.0 5.88 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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1.3902 0.29
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-7.6323 1.25
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3.5326 0.75
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10.85 1.8
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-8.7298 2.5
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3.3638 3.4
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for ethylene glycol of Zhou and Lemmon (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou and Lemmon, 2018.
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?
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?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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719.0 5.88 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-0.47502 0.173
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-5.5419 0.6
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-16.175 2.08
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-50.153 4.8
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-86.316 10.0
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-169.85 18.0
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@END
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