313 lines
14 KiB
Plaintext
313 lines
14 KiB
Plaintext
cis-Butene !Short name
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590-18-1 !CAS number
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cis-2-Butene !Full name
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CH3-CH=CH-CH3 !Chemical formula {C4H8}
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(Z)-2-Butene !Synonym
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56.10632 !Molar mass [g/mol]
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134.3 !Triple point temperature [K]
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276.87 !Normal boiling point [K]
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435.75 !Critical temperature [K]
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4225.5 !Critical pressure [kPa]
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4.244 !Critical density [mol/L]
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0.202 !Acentric factor
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0.30 !Dipole moment [Debye]; DIPPR DIADEM 2012
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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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2710.76 !Heating value (upper) [kJ/mol] :Heat:
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1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3- !Standard InChI String :InChi:
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IAQRGUVFOMOMEM-ARJAWSKDSA-N !Standard InChI Key :InChiKey:
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7b3b4080 (butane) !Alternative fluid for mixing rules :AltID:
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411c4500 !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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! 12-17-03 EWL, Original version.
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! 10-14-04 MLH, Add family.
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! 11-13-06 MLH, Add LJ parameters.
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! 06-21-10 CKL, Add ancillary equations.
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! 04-06-13 EWL, Add dipole moment.
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! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014).
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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 cis-butene of Lemmon and Ihmels (2005).
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:TRUECRITICALPOINT: 435.75 4.244 !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 in densities calculated with the equation of state
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? are 0.1% in the liquid phase at temperatures above 270 K (rising to
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? 0.5% at temperatures below 200 K), 0.2% at temperatures above the
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? critical temperature and at pressures above 10 MPa, and 0.5% in the
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? vapor phase, including supercritical conditions below 10 MPa. The
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? uncertainty in the vapor phase may be higher than 0.5% in some regions.
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? The uncertainty in vapor pressure is 0.2% between 220 and 310 K and
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? 0.5% above 310 K, and the uncertainty in heat capacities is 0.5% at
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? saturated liquid conditions, rising to 5% at much higher pressures and
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? at temperatures above 300 K.
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?
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!```````````````````````````````````````````````````````````````````````````````
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134.3 !Lower temperature limit [K]
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525. !Upper temperature limit [K]
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50000. !Upper pressure limit [kPa]
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14.09 !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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134.3 !Triple point temperature [K]
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0.0002636 !Pressure at triple point [kPa]
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14.09 !Density at triple point [mol/L]
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276.87 !Normal boiling point temperature [K]
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0.202 !Acentric factor
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435.75 4225.5 4.244 !Tc [K], pc [kPa], rhoc [mol/L]
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435.75 4.244 !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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0.77827 0.12 1. 0. !a(i),t(i),d(i),l(i)
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-2.8064 1.3 1. 0.
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1.0030 1.74 1. 0.
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0.013762 2.1 2. 0.
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0.085514 0.28 3. 0.
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0.00021268 0.69 7. 0.
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0.22962 0.75 2. 1.
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-0.072442 2.0 5. 1.
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-0.23722 4.4 1. 2.
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-0.074071 4.7 4. 2.
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-0.026547 15.0 3. 3.
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0.012032 14.0 4. 3.
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for cis-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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3.9687 0.0
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3.2375 248.0
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7.0437 1183.0
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11.414 2092.0
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7.3722 4397.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for cis-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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2.9687 1.0 !ai, ti for [ai*log(tau**ti)] terms
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0.2591562202490252 0.0 !aj, ti for [ai*tau**ti] terms
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2.4189874886742024 1.0 !aj, ti for [ai*tau**ti] terms
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3.2375 248.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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7.0437 1183.0
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11.414 2092.0
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7.3722 4397.0
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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 cis-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 is 5% for gas phase; 20% for viscosity and thermal conductivity of liquid phase.
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? Liquid phase data unavailable.
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?
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?The Lennard-Jones parameters were estimated 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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134.3 !Lower temperature limit [K]
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525.0 !Upper temperature limit [K]
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50000.0 !Upper pressure limit [kPa]
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14.09 !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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0.5508 !Lennard-Jones coefficient sigma [nm]
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259.0 !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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0.00102143 0. 0. 0. !Coefficient, power of T, spare1, spare2 coeff from isobutene
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6.64409e-7 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 cis-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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0.21e-9 !Xi0 (amplitude) [m]
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0.058 !Gam0 (amplitude) [-]
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0.607e-9 !Qd_inverse (modified effective cutoff parameter) [m]
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653.63 !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 cis-butene of Mulero et al. (2014).
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:DOI: 10.1063/1.4878755
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mulero, A. and Cachadiña, I.,
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? "Recommended Correlations for the Surface Tension of Several Fluids
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? Included in the REFPROP Program,"
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? J. Phys. Chem. Ref. Data, 43, 023104, 2014.
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? doi: 10.1063/1.4878755
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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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435.75 !Critical temperature used in fit (dummy)
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0.05903 1.246 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for cis-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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435.75 4236.0 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-7.0022 1.0
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1.3695 1.5
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-3.0509 3.2
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0.10012 3.46
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-1.5577 6.4
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for cis-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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435.75 4.244 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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4.6849 0.402
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-5.4614 0.54
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3.4718 0.69
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5.0511 6.6
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-5.0389 7.0
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for cis-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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435.75 4.244 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-2.8918 0.4098
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-5.8582 1.174
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-17.443 3.11
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-24.566 6.1
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-29.413 7.6
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-113.92 14.8
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@END
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