610 lines
29 KiB
Plaintext
610 lines
29 KiB
Plaintext
Cyclohexane !Short name
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110-82-7 !CAS number
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Cyclohexane !Full name
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cyclo-C6H12 !Chemical formula {C6H12}
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Cyclohexane !Synonym
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84.15948 !Molar mass [g/mol]
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279.86 !Triple point temperature [K]
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353.865 !Normal boiling point [K]
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553.6 !Critical temperature [K]
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4080.5 !Critical pressure [kPa]
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3.224 !Critical density [mol/L]
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0.2096 !Acentric factor
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0.3 !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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1145 !UN Number :UN:
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naphthene !Family :Family:
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3952.96 !Heating value (upper) [kJ/mol] :Heat:
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1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 !Standard InChI String :InChi:
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XDTMQSROBMDMFD-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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cb03ba40 (hexane) !Alternative fluid for mixing rules :AltID:
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6e225350 !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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! 12-04-97 EWL, Original version.
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! 11-01-99 EWL, Add Span 12 term short equation of state.
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! 10-31-06 MLH, Add ECS transport.
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! 06-21-10 CKL, Add ancillary equations.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 03-25-13 EWL, Add equation of state of Zhou et al.
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! 03-26-13 MLH, Revise ECS transport with new EOS.
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! 04-01-13 SH, Add ancillary equations.
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! 10-27-14 MLH, Add Vesovic viscosity correlation, changed crit block on tk3.
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! 11-18-14 EWL, Change triple point from 279.47 K to 279.86 K.
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! 12-07-15 MLH, Change Vesovic viscosity model to VS6.
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! 11-03-16 MLH, Add thermal conductivity model of Koutian et al (2016).
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for cyclohexane of Zhou et al. (2014).
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:TRUECRITICALPOINT: 553.6 3.224 !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: 10.1063/1.4900538
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y., Liu, J., Penoncello, S.G., and Lemmon, E.W.,
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? An Equation of State for the Thermodynamic Properties of Cyclohexane,
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? J. Phys. Chem. Ref. Data, 43, 043105, 2014.
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?
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?The uncertainties in density for the equation of state are 0.1% (liquid and
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? vapor) up to 500 K, and 0.2% above 500 K, with higher uncertainties within the
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? critical region. Between 283 and 473 K with pressures lower than 30 MPa, the
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? uncertainty is as low as 0.03% in density in the liquid phase. The
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? uncertainties in the speed of sound are 0.2% between 283 K and 323 K in the
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? liquid, and 1% elsewhere. Other uncertainties are 0.05% in vapor pressure and
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? 2% in heat capacities.
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?
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!```````````````````````````````````````````````````````````````````````````````
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279.86 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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250000. !Upper pressure limit [kPa]
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10.3 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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84.15948 !Molar mass [g/mol]
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279.86 !Triple point temperature [K]
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5.3487 !Pressure at triple point [kPa]
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9.40 !Density at triple point [mol/L]
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353.865 !Normal boiling point temperature [K]
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0.2096 !Acentric factor
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553.6 4080.5 3.224 !Tc [K], pc [kPa], rhoc [mol/L]
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553.6 3.224 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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10 4 10 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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0.05483581 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.607734 0.37 1. 0.
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-2.375928 0.79 1. 0.
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-0.5137709 1.075 2. 0.
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0.1858417 0.37 3. 0.
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-0.9007515 2.4 1. 2.
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-0.5628776 2.5 3. 2.
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0.2903717 0.5 2. 1.
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-0.3279141 3. 2. 2.
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-0.03177644 1.06 7. 1.
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0.8668676 1.6 1. 2. 2. -0.99 -0.38 0.65 0.73 0. 0. 0.
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-0.1962725 0.37 1. 2. 2. -1.43 -4.2 0.63 0.75 0. 0. 0.
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-0.1425992 1.33 3. 2. 2. -0.97 -1.2 1.14 0.48 0. 0. 0.
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0.004197016 2.5 3. 2. 2. -1.93 -0.9 0.09 2.32 0. 0. 0.
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0.1776584 0.9 2. 2. 2. -0.92 -1.2 0.56 0.20 0. 0. 0.
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-0.04433903 0.5 2. 2. 2. -1.27 -2.6 0.40 1.33 0. 0. 0.
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-0.03861246 0.73 3. 2. 2. -0.87 -5.3 1.01 0.68 0. 0. 0.
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0.07399692 0.2 2. 2. 2. -0.82 -4.4 0.45 1.11 0. 0. 0.
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0.02036006 1.5 3. 2. 2. -1.40 -4.2 0.85 1.47 0. 0. 0.
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0.00272825 1.5 2. 2. 2. -3.0 -25.0 0.86 0.99 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 cyclohexane of Zhou et al. (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y., Liu, J., Penoncello, S.G., and Lemmon, E.W., 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 8.3144598 !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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4.0 0.0
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0.83775 773.0
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16.036 941.0
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24.636 2185.0
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7.1715 4495.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for cyclohexane of Zhou et al. (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y., Liu, J., Penoncello, S.G., and Lemmon, E.W., 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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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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0.9891146198409615 0.0 !aj, ti for [ai*tau**ti] terms
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1.6359656987149183 1.0 !aj, ti for [ai*tau**ti] terms
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0.83775 773.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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16.036 941.0
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24.636 2185.0
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7.1715 4495.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for cyclohexane.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Zhou, Y., Liu, J., Penoncello, S.G., and Lemmon, E.W., 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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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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0.9891140602 0.0 !aj, ti for [ai*tau**ti] terms
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1.6359660572 1.0
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0.83775 -1.3963150289 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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16.036 -1.699783237
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24.636 -3.9468930636
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7.1715 -8.1195809249
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FES !Helmholtz equation of state for cyclohexane of Span and Wagner (2003).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Span, R. and Wagner, W.
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? "Equations of State for Technical Applications. II. Results for Nonpolar Fluids,"
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? Int. J. Thermophys., 24(1):41-109, 2003. doi: 10.1023/A:1022310214958
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?
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?The uncertainties of the equation of state are approximately 0.2% (to
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? 0.5% at high pressures) in density, 1% (in the vapor phase) to 2% in
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? heat capacity, 1% (in the vapor phase) to 2% in the speed of sound, and
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? 0.2% in vapor pressure, except in the critical region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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279.47 !Lower temperature limit [K]
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600.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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9.77 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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84.161 !Molar mass [g/mol]
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279.47 !Triple point temperature [K]
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5.2428 !Pressure at triple point [kPa]
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9.3999 !Density at triple point [mol/L]
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353.85 !Normal boiling point temperature [K]
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0.209 !Acentric factor
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553.6 4078.0 3.2440204 !Tc [K], pc [kPa], rhoc [mol/L]
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553.6 3.2440204 !Reducing parameters [K, mol/L]
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8.31451 !Gas constant [J/mol-K]
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12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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1.0232354 0.25 1. 0. !a(i),t(i),d(i),l(i)
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-2.9204964 1.125 1. 0.
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1.073663 1.5 1. 0.
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-0.19573985 1.375 2. 0.
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0.12228111 0.25 3. 0.
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0.00028943321 0.875 7. 0.
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0.27231767 0.625 2. 1.
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-0.04483332 1.75 5. 1.
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-0.38253334 3.625 1. 2.
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-0.089835333 3.625 4. 2.
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-0.024874965 14.5 3. 3.
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0.010836132 12.0 4. 3.
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for cyclohexane of Penoncello et al. (1995).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Penoncello, S.G., Goodwin, A.R.H., and Jacobsen, R.T,
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? "A Thermodynamic Property Formulation for Cyclohexane,"
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? Int. J. Thermophys., 16(2):519-531, 1995.
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?
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?The uncertainties of the equation of state are 0.1% in density, 2% in heat
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? capacity, and 1% in the speed of sound, except in the critical region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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279.47 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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80000.0 !Upper pressure limit [kPa]
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9.77 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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84.1608 !Molar mass [g/mol]
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279.47 !Triple point temperature [K]
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5.2538 !Pressure at triple point [kPa]
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9.4045 !Density at triple point [mol/L]
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353.886 !Normal boiling point temperature [K]
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0.20926 !Acentric factor
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553.64 4075.0 3.24379 !Tc [K], pc [kPa], rhoc [mol/L]
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553.64 3.24379 !Reducing parameters [K, mol/L]
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8.31434 !Gas constant [J/mol-K]
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26 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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0.8425412659 0.0 1. 0. !a(i),t(i),d(i),l(i)
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-3.138388327 1.5 1. 0.
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1.679072631 2.5 1. 0.
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-0.153819249 1.5 2. 0.
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0.1984911143 1.0 3. 0.
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-0.144532594 2.5 3. 0.
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0.0003746346428 2.0 7. 0.
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-0.6427428062 5.0 1. 2.
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0.2280757615 6.0 1. 2.
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-1.868116802 5.5 2. 2.
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-1.028243711 3.0 3. 2.
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0.5821457418 7.0 3. 2.
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-0.255891152 6.0 5. 2.
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0.01276844113 6.5 8. 2.
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-0.005158613166 5.5 10. 2.
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0.06334794755 11.0 3. 4.
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-0.06014686589 11.0 4. 4.
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0.0001861479616 0.5 6. 0.
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0.0001745721652 3.0 6. 0.
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0.4439056828 0.5 1. 3.
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-0.6264920642 1.0 1. 3.
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2.132589969 4.0 2. 2.
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-0.003620300991 4.0 2. 6.
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0.2534453992 1.5 4. 2.
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0.01669144715 2.0 4. 4.
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0.003985052291 0.5 8. 2.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for cyclohexane.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Penoncello, S.G., Goodwin, A.R.H., and Jacobsen, R.T,
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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 8.31434 !Reducing parameters for T, Cp0
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4 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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-56214088.0 -3.0
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9.3683272 0.0
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0.015261554 1.0
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-0.0000036352468 2.0
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23.766589 2000.0
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS6 !Pure fluid viscosity model for cyclohexane of Tariq et al. (2014).
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:DOI: 10.1063/1.4891103
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Tariq, U., Jusoh, A.R.B., Riesco, N., and Vesovic, V.,
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? "Reference Correlation of the Viscosity of Cyclohexane from the Triple Point to 700 K and up to 110 MPa,"
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? J. Phys. Chem. Ref. Data, 43, 033101, 2014.
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?
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?The overall uncertainty of the proposed correlation varies from 0.5% for the viscosity of the
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? dilute gas and of liquid at ambient pressure, to 5% for the viscosity at high pressures and
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? temperatures.
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?
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!```````````````````````````````````````````````````````````````````````````````
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279.47 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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250000.0 !Upper pressure limit [kPa]
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10.3 !Maximum density [mol/L]
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1 !Number of terms associated with dilute-gas function
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CI3 !Pointer to reduced effective collision cross-section model
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1.0 !Lennard-Jones coefficient sigma [nm] not used here
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1.0 !Lennard-Jones coefficient epsilon/kappa [K] not used here
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1.0 1.0 !Reducing parameters for T, eta
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0.19592 1.0 !Chapman-Enskog term 0.021357*SQRT(MW)
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0 !Number of terms for initial density dependence
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0 17 0 0 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
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553.6 3.224 1.0 !Reducing parameters for T, rho, eta
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16.4309 0.0 1.0 0. 0
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-19.7261 -1.0 1.0 0. 0
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3.5502 -2.0 1.0 0. 0
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335.234 -1.0 2.2 0. 0
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7.8494803 0.0 2.5 0. 0
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-687.3976 -1.0 2.5 0. 0
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362.0868 -1.0 2.8 0. 0
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-10.4793856 0.0 10.0 0. 0
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2.5521774 -1.0 10.0 0. 0
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17.2734993 0.0 11.0 0. 0
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-5.9372242 -1.0 11.0 0. 0
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-10.6186149 0.0 12.0 0. 0
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4.3982781 -1.0 12.0 0. 0
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2.8894928 0.0 13.0 0. 0
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-1.3468174 -1.0 13.0 0. 0
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-0.2938491 0.0 14.0 0. 0
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0.1487134 -1.0 14.0 0. 0
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NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
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#AUX !---Auxiliary function for the collision integral
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CI3 !Collision integral model for cyclohexane of Tariq et al. (2014).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Tariq, U., Jusoh, A.R.B., Riesco, N., and Vesovic, V., 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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3 !Number of terms
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-1.5093 0 !Coefficient, power of Tstar
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364.87 -1
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-39537. -2
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================================================================================
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#TCX !---Thermal conductivity---
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TC1 !Pure fluid thermal conductivity model for cyclohexane of Koutian et al. (2017).
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:DOI: 10.1063/1.4974325
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Koutian, A., Assael, M.J., Huber, M.L., and Perkins, R.A.,
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? "Reference Correlation of the Thermal Conductivity of Cyclohexane
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? from the Triple Point to 640 K and up to 175 MPa,"
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? J. Phys. Chem. Ref. Data, 46, 013102, 2017.
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? doi: 10.1063/1.4974325
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?
|
||
?Estimated uncertainty from the triple point to 650 K at pressures up to 175 MPa
|
||
? is 4% for the compressed liquid and supercritical phases. For the low-pressure
|
||
? gas phase (up to 0.1 MPa) over the temperature range 280-680 K, the estimated
|
||
? uncertainty is 2.5%. Uncertainties in the critical region are much larger.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
279.86 !Lower temperature limit [K]
|
||
700.0 !Upper temperature limit [K]
|
||
250000. !Upper pressure limit [kPa]
|
||
10.3 !Maximum density [mol/L]
|
||
5 4 !# terms for dilute gas function: numerator, denominator
|
||
553.6 0.001 !Reducing parameters for T, tcx
|
||
6.52149 0.
|
||
-39.8399 1.
|
||
65.3275 2.
|
||
-202.857 3.
|
||
78.7909 4.
|
||
-2.3043 0.
|
||
1.83274 1.
|
||
-2.66787 2.
|
||
1.0 3.
|
||
10 0 !# terms for background gas function: numerator, denominator
|
||
553.6 3.224 1. !Reducing parameters for T, rho, tcx
|
||
0.0189732 0. 1. 0.
|
||
-0.0627889 0. 2. 0.
|
||
0.100748 0. 3. 0.
|
||
-0.0477988 0. 4. 0.
|
||
0.00732262 0. 5. 0.
|
||
0.00214942 1. 1. 0.
|
||
0.0315482 1. 2. 0.
|
||
-0.0629082 1. 3. 0.
|
||
0.0322047 1. 4. 0.
|
||
-0.00487801 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 cyclohexane of Perkins et al. (2013).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
|
||
? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
|
||
? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
9 0 0 0 !# terms: 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)
|
||
0.23e-9 !Xi0 (amplitude) [m]
|
||
0.058 !Gam0 (amplitude) [-]
|
||
0.668e-9 !Qd_inverse (modified effective cutoff parameter) [m]
|
||
830.4 !Tref (reference temperature) [K]
|
||
|
||
|
||
|
||
|
||
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||
|
||
@TRN !---ECS Transport---
|
||
ECS !Extended Corresponding States model (Propane reference); fitted to data for cyclohexane.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?*** 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
|
||
?
|
||
?THERMAL CONDUCTIVITY
|
||
? Li, S. F. Y., Maitland, G. C., Wakeham, W. A.,Thermal Conductivity of Benzene and Cyclohexane in the Temperature Range 36 -90 C at Pressures up to 0.33 GPa, Int. J. Thermophys., 1984, 5, 351-365
|
||
? Watanabe, H., Kato, H.,Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons J. Chem. Eng. Data, 2004, 49, 809-825
|
||
?
|
||
?Estimated uncertainty for liquid thermal conductivity for T<360 K is ~5%,
|
||
? larger uncertainties at higher temperatures and in the critical region.
|
||
?
|
||
?VISCOSITY
|
||
? Knapstad, B., Skjolsvik, P.A. and Oye, H.A., "Viscosity of Pure Hydrocarbons", J. Chem. Eng. Data, 34, 37-43 (1989)
|
||
? Tanaka, Y., Hosokawa, H, Kubota, H and Makita, T., "Viscosity and Density of Binary Mixtures of Cyclohexane with n-Octane, n-Dodecane, and n-Hexadecane Under High Pressures", Int. J. Thermophys. 12(2),245-263 (1991).
|
||
?
|
||
?Estimated uncertainty for liquid viscosity is ~5%.
|
||
?
|
||
?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.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
279.47 !Lower temperature limit [K]
|
||
700.0 !Upper temperature limit [K]
|
||
250000.0 !Upper pressure limit [kPa]
|
||
10.3 !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)
|
||
0.6182 !Lennard-Jones coefficient sigma [nm] for ECS method
|
||
297.1 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|
||
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
|
||
2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
|
||
0.943949 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
0.0536821 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
|
||
1.165630 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
-0.0496971 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
TK3 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
|
||
|
||
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||
|
||
#STN !---Surface tension---
|
||
ST1 !Surface tension model for cyclohexane 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. !
|
||
1 !Number of terms in surface tension model
|
||
553.64 !Critical temperature used in fit (dummy)
|
||
0.06485 1.263 !Sigma0 and n
|
||
|
||
|
||
#MLT !---Melting line---
|
||
ML1 !Melting line model for cyclohexane of Zhou et al. (2014).
|
||
:DOI: 10.1063/1.4900538
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Zhou et al., 2014.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
279.86 !Lower temperature limit [K]
|
||
700.0 !Upper temperature limit [K]
|
||
0. !
|
||
0. !
|
||
279.86 5.3487 !Reducing temperature and pressure
|
||
2 1 0 0 0 0 !Number of terms in melting line equation
|
||
1.0 0.0 !Coefficients and exponents
|
||
75.0 2.0
|
||
102000.0 1.0
|
||
|
||
|
||
#PS !---Vapor pressure---
|
||
PS5 !Vapor pressure equation for cyclohexane of Zhou et al. (2014).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Zhou et al., 2014.
|
||
?
|
||
?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. !
|
||
553.6 4080.5 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-7.0974 1.0
|
||
2.1851 1.5
|
||
-1.7482 2.0
|
||
-3.4326 4.2
|
||
-1.6694 15.0
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for cyclohexane of Zhou et al. (2014).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Zhou et al., 2014.
|
||
?
|
||
?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. !
|
||
553.6 3.224 !Reducing parameters
|
||
4 0 0 0 0 0 !Number of terms in equation
|
||
3.1347 0.43
|
||
-1.8011 0.8
|
||
1.4486 1.2
|
||
0.2456 6.5
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for cyclohexane of Zhou et al. (2014).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Zhou et al., 2014.
|
||
?
|
||
?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. !
|
||
553.6 3.224 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-3.6824 0.45
|
||
-8.3275 1.55
|
||
-26.093 4.0
|
||
-56.907 8.0
|
||
-149.91 17.0
|
||
|
||
|
||
@END
|
||
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|
||
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