331 lines
15 KiB
Plaintext
331 lines
15 KiB
Plaintext
Butene !Short name
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106-98-9 !CAS number
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1-Butene !Full name
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CH3-CH2-CH=CH2 !Chemical formula {C4H8}
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1-Butylene !Synonym
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56.10632 !Molar mass [g/mol]
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87.8 !Triple point temperature [K]
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266.84 !Normal boiling point [K]
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419.29 !Critical temperature [K]
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4005.1 !Critical pressure [kPa]
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4.24 !Critical density [mol/L]
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0.192 !Acentric factor
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0.339 !Dipole moment [Debye]; Nelson, R.D., Lide, D.R., Maryott, A., NSRDS 10, National Bureau of Standards, Washington, D.C. (1967).
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NBP !Default reference state
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10.0 !Version number
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1012 !UN Number :UN:
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n-alkene !Family :Family:
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2716.82 !Heating value (upper) [kJ/mol] :Heat:
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1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3 !Standard InChI String :InChi:
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VXNZUUAINFGPBY-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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7b3b4080 (butane) !Alternative fluid for mixing rules :AltID:
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cd7a06d0 !Hash number from InChI Key :Hash:
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!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
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! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
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! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
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! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
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! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
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! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
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! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
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! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
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! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
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! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
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! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
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! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
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! end of the fluid file is marked with @END. Anything below that is ignored.
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! compiled by M.L. Huber, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 11-06-02 MLH, Original version.
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! 03-08-04 EWL, Add short EOS.
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! 10-14-04 MLH, Add family.
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! 11-16-06 MLH, Add LJ parameters.
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! 06-10-10 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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! 05-04-16 MLH, Add viscosity and thermal conductivity equations.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for 1-butene of Lemmon and Ihmels (2005).
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:TRUECRITICALPOINT: 419.29 4.24 !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: 10.1016/j.fluid.2004.09.004
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Ihmels, E.C.,
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? "Thermodynamic Properties of the Butenes. Part II. Short Fundamental
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? Equations of State,"
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? Fluid Phase Equilib., 228-229:173-187, 2005. doi: 10.1016/j.fluid.2004.09.004
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?
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?The uncertainties of densities calculated by the equation of state
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? (based on a coverage factor of 2) are 0.1% in the liquid phase at
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? temperatures above 270 K (rising to 0.5% in density at temperatures
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? below 200 K), 0.2% at temperatures above the critical temperature and
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? at pressures above 10 MPa, and 0.5% in the vapor phase, including
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? supercritical conditions below 10 MPa. The uncertainty in vapor
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? pressure is 0.25% above 200 K. The uncertainty in heat capacities is
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? 0.5% at saturated liquid conditions, rising to 5% at much higher
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? pressures and at temperatures above 350 K.
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?
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!```````````````````````````````````````````````````````````````````````````````
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87.8 !Lower temperature limit [K]
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525. !Upper temperature limit [K]
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70000. !Upper pressure limit [kPa]
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14.59 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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56.10632 !Molar mass [g/mol]
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87.8 !Triple point temperature [K]
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0.0000000005945 !Pressure at triple point [kPa]
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14.58 !Density at triple point [mol/L]
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266.84 !Normal boiling point temperature [K]
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0.192 !Acentric factor
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419.29 4005.1 4.24 !Tc [K], pc [kPa], rhoc [mol/L]
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419.29 4.24 !Reducing parameters [K, mol/L]
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8.314472 !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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0.78084 0.12 1. 0. !a(i),t(i),d(i),l(i)
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-2.8258 1.3 1. 0.
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0.99403 1.74 1. 0.
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0.017951 2.1 2. 0.
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0.088889 0.28 3. 0.
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0.00024673 0.69 7. 0.
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0.22846 0.75 2. 1.
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-0.074009 2.0 5. 1.
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-0.22913 4.4 1. 2.
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-0.062334 4.7 4. 2.
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-0.025385 15.0 3. 3.
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0.011040 14.0 4. 3.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for 1-butene of Lemmon and Ihmels (2005).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Ihmels, E.C., 2005.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.314472 !Reducing parameters for T, Cp0
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1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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3.9197 0.0
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2.9406 274.0
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6.5395 951.0
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14.535 2127.0
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5.8971 5752.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for 1-butene of Lemmon and Ihmels (2005).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Ihmels, E.C., 2005.
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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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2.9197 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-0.0010091976793234 0.0 !aj, ti for [ai*tau**ti] terms
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2.3869160711679962 1.0 !aj, ti for [ai*tau**ti] terms
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2.9406 274.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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6.5395 951.0
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14.535 2127.0
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5.8971 5752.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for butene.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, E.W. and Ihmels, E.C., 2005.
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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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2.9197 1.0 !ai, ti for [ai*log(tau**ti)] terms
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14.87266 0.0 !aj, ti for [ai*tau**ti] terms
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-4.167698 1.0
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2.9406 -0.6534856543 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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6.5395 -2.268119917
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14.535 -5.0728612655
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5.8971 -13.7184287724
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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#TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Propane reference); predictive mode for butene.
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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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?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension
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? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018.
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? doi: 10.6028/NIST.IR.8209
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?
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?Estimated uncertainty 5% for gas phase; 20% for viscosity and thermal conductivity of liquid phase.
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? Liquid phase data is unavailable.
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?
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?The Lennard-Jones parameters were taken from Hirschfelder, J.O., Curtiss, C.F., and Bird, R.B., "Molecular Theory of Gases and Liquids," John Wiley and Sons, Inc., New York, 1245 pp, 1954. doi: 10.1002/pol.1955.120178311
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?
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!```````````````````````````````````````````````````````````````````````````````
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87.8 !Lower temperature limit [K]
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525.0 !Upper temperature limit [K]
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70000.0 !Upper pressure limit [kPa]
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14.59 !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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0.5198 !Lennard-Jones coefficient sigma [nm]
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319.0 !Lennard-Jones coefficient epsilon/kappa [K]
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2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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9.00239e-4 0. 0. 0. !Coefficient, power of T, spare1, spare2
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1.13436e-6 1. 0. 0. !Coefficient, power of T, spare1, spare2
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3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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1.12449 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare; coeff from isobutene
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-0.147034 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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0.036655 0. 2. 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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0.838527 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare; coeff from isobutene
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0.0648013 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 butene 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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0.211e-9 !Xi0 (amplitude) [m]
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0.057 !Gam0 (amplitude) [-]
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0.607e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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628.94 !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 butene of Mulero et al. (2012).
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:DOI: 10.1063/1.4768782
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mulero, A., Cachadiña, I., and Parra, M.I.,
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? "Recommended Correlations for the Surface Tension of Common Fluids,"
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? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782
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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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419.29 !Critical temperature used in fit (dummy)
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0.05644 1.248 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for butene of Lemmon (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, C.K. and Lemmon, E.W., 2010.
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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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419.29 4005.1 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-7.1727 1.0
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2.6360 1.5
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-2.0781 2.0
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-2.8860 4.35
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-1.3041 16.0
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for butene of Lemmon (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, C.K. and Lemmon, E.W., 2010.
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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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419.29 4.24 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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16.857 0.547
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-46.280 0.73
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53.727 0.92
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-23.314 1.14
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1.8889 2.1
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for butene of Lemmon (2010).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Lemmon, C.K. and Lemmon, E.W., 2010.
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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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419.29 4.24 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-3.1106 0.415
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-6.3103 1.27
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-19.272 3.34
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-48.739 7.0
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-99.898 14.5
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-190.01 28.0
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@END
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