960 lines
45 KiB
Plaintext
960 lines
45 KiB
Plaintext
Isobutane !Short name
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75-28-5 !CAS number
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2-Methylpropane !Full name
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CH(CH3)3 !Chemical formula {C4H10}
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R-600a !Synonym
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58.1222 !Molar mass [g/mol]
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113.73 !Triple point temperature [K]
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261.401 !Normal boiling point [K]
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407.81 !Critical temperature [K]
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3629.0 !Critical pressure [kPa]
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3.879756788 !Critical density [mol/L]
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0.184 !Acentric factor
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0.132 !Dipole moment [Debye]; DIPPR: from Nelson, NBS, NSRDS 10 (1967).
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IIR !Default reference state
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10.0 !Version number
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1969 !UN Number :UN:
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br-alkane !Family :Family:
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2868.20 !Heating value (upper) [kJ/mol] :Heat:
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4000. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL:
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A3 !Safety Group (ASHRAE Standard 34, 2010) :Safety:
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1S/C4H10/c1-4(2)3/h4H,1-3H3 !Standard InChI String :InChi:
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NNPPMTNAJDCUHE-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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7b3b4080 (butane) !Alternative fluid for mixing rules :AltID:
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47ade7e0 !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. McLinden, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 02-01-96 MM, Original version.
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! 10-24-96 MM, Add thermal conductivity model of Younglove and Ely.
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! 11-18-98 EWL, Add equation of state of Polt et al. (1992).
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! 11-01-99 EWL, Add Span 12 term short equation of state.
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! 07-17-00 EWL, Add Vogel viscosity equation.
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! 03-29-01 MLH, Add new thermal conductivity correlation for ic4 (Perkins, 2001).
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! 05-14-01 EWL, Add Miyamoto and Watanabe equation.
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! 08-05-04 EWL, Add Harvey and Lemmon dielectric correlation.
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! 09-02-04 EWL, Add Buecker and Wagner equation.
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! 10-13-04 MLH, Add family.
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! 08-08-05 EWL, Change Ptrp in melting line equation changed to match EOS at Ttrp.
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! 12-02-06 MLH, Update LJ for ECS.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 12-30-13 EWL, Change upper limit to 200 MPa based on data of Miyamoto and Uematsu, J. Chem. Thermodyn., 2006, 38:360-366, with maximum deviation of 0.4% in density. See also the new high pressure and temperature data of Ito, Nagata, and Miyamoto, Int. J. Thermophys, 2013.
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! 02-16-17 KG, Add ancillary equations.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for isobutane of Buecker and Wagner (2006).
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:TRUECRITICALPOINT: 407.81 3.879756788 !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: 10.1063/1.1901687
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Bücker, D. and Wagner, W.,
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? "Reference Equations of State for the Thermodynamic Properties of Fluid
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? Phase n-Butane and Isobutane,"
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? J. Phys. Chem. Ref. Data, 35(1):929-1019, 2006. doi: 10.1063/1.1901687
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?
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?The uncertainties in density are 0.02% at temperatures below 340 K and
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? pressures below 12 MPa (both liquid and vapor states), 0.3% at temperatures
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? below 300 K and pressures above 12 MPa, 0.1% in the vapor phase between 340 and
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? 450 K, and 0.5% elsewhere. In the critical region, deviations in pressure are
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? 0.5%. Uncertainties in heat capacities are typically 1-2%, rising to 5% in the
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? critical region and at temperatures below 200 K. Uncertainties in the speed of
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? sound are typically 1-2%, rising to 5% at temperatures below 200 K and in the
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? critical region.
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?
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!```````````````````````````````````````````````````````````````````````````````
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113.73 !Lower temperature limit [K]
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575.0 !Upper temperature limit [K]
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200000.0 !Upper pressure limit [kPa]
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12.9 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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58.1222 !Molar mass [g/mol]
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113.73 !Triple point temperature [K]
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0.00002289 !Pressure at triple point [kPa]
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12.74 !Density at triple point [mol/L]
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261.401 !Normal boiling point temperature [K]
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0.184 !Acentric factor
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407.81 3629.0 3.879756788 !Tc [K], pc [kPa], rhoc [mol/L]
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407.81 3.879756788 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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23 4 2 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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2.0686820727966 0.5 1. 0. !a(i),t(i),d(i),l(i)
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-3.6400098615204 1.0 1. 0.
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0.51968754427244 1.5 1. 0.
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0.17745845870123 0.0 2. 0.
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-0.12361807851599 0.5 3. 0.
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0.045145314010528 0.5 4. 0.
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0.03047647996598 0.75 4. 0.
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0.75508387706302 2.0 1. 1.
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-0.85885381015629 2.5 1. 1.
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0.036324009830684 2.5 2. 1.
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-0.01954879945055 1.5 7. 1.
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-0.004445239290496 1.0 8. 1.
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0.004641076366646 1.5 8. 1.
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-0.071444097992825 4.0 1. 2.
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-0.080765060030713 7.0 2. 2.
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0.15560460945053 3.0 3. 2.
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0.0020318752160332 7.0 3. 2.
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-0.10624883571689 3.0 4. 2.
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0.039807690546305 1.0 5. 2.
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0.016371431292386 6.0 5. 2.
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0.00053212200682628 0.0 10. 2.
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-0.0078681561156387 6.0 2. 3.
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-0.0030981191888963 13.0 6. 3.
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-0.042276036810382 2.0 1. 2. 2. -10.0 -150.0 1.16 0.85 0. 0. 0.
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-0.0053001044558079 0.0 2. 2. 2. -10.0 -200.0 1.13 1.0 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 isobutane of Buecker and Wagner (2006).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Bücker, D. and Wagner, W., 2006.
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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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4.05956619 0.0
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4.94641014 387.94064
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4.09475197 973.80782
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15.6632824 1772.71103
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9.73918122 4228.52424
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for isobutane of Buecker and Wagner (2006).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Bücker, D. and Wagner, W., 2006.
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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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3.05956619 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-5.9995196315283579 0.0 !aj, ti for [ai*tau**ti] terms
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5.0189508361247883 1.0 !aj, ti for [ai*tau**ti] terms
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4.94641014 387.94064 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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4.09475197 973.80782
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15.6632824 1772.71103
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9.73918122 4228.52424
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for isobutane.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Bücker, D. and Wagner, W., 2006.
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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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3.05956619 1.0 !ai, ti for [ai*log(tau**ti)] terms
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11.60865546 0.0 !aj, ti for [ai*tau**ti] terms
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-5.29450411 1.0
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4.94641014 -0.9512779015 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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4.09475197 -2.3878958853
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15.6632824 -4.3469042691
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9.73918122 -10.3688586351
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FEK !Helmholtz equation of state for isobutane of Kunz and Wagner (2004).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M.
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? "The GERG-2004 Wide-Range Equation of State for Natural Gases
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? and Other Mixtures," GERG Technical Monograph 15,
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? Fortschritt-Berichte VDI, VDI-Verlag, Düsseldorf, 2007.
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?
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!```````````````````````````````````````````````````````````````````````````````
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113.73 !Lower temperature limit [K]
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575.0 !Upper temperature limit [K]
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35000.0 !Upper pressure limit [kPa]
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12.9 !Maximum density [mol/L]
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PHK !Pointer to Cp0 model
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58.1222 !Molar mass [g/mol]
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113.73 !Triple point temperature [K]
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0.00002177 !Pressure at triple point [kPa]
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12.78 !Density at triple point [mol/L]
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261.42 !Normal boiling point temperature [K]
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0.1841 !Acentric factor
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407.817 3633.1 3.86014294 !Tc [K], pc [kPa], rhoc [mol/L]
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407.817 3.86014294 !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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1.0429331589100 0.25 1. 0.
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-2.8184272548892 1.125 1. 0.
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0.8617623239785 1.5 1. 0.
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-0.10613619452487 1.375 2. 0.
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0.098615749302134 0.25 3. 0.
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0.00023948208682322 0.875 7. 0.
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0.30330004856950 0.625 2. 1.
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-0.041598156135099 1.75 5. 1.
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-0.29991937470058 3.625 1. 2.
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-0.080369342764109 3.625 4. 2.
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-0.029761373251151 14.5 3. 3.
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0.01305963030314 12.0 4. 3.
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@AUX !---Auxiliary function for PH0
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PHK !Ideal gas Helmholtz form for isobutane of Kunz and Wagner (2004).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Kunz, O., Klimeck, R., Wagner, W., Jaeschke, M.
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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 0 2 2 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
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3.06714 1.0 !ai, ti for [ai*log(tau**ti)] terms
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20.413726078 0.0 !aj, ti for [ai*tau**ti] terms
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-94.467620036 1.0
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-5.25156 0.485556021 !aj, ti for cosh and sinh terms
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-16.1388 2.19158348
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8.97575 1.074673199
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25.1423 4.671261865
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for isobutane of Miyamoto and Watanabe (2001).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Miyamoto, H. and Watanabe, K.
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? "A Thermodynamic Property Model for Fluid-Phase Isobutane,"
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? Int. J. Thermophys., 23(2):477-499, 2002.
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?
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?The uncertainties of the equation of state are approximately 0.2%
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? in density, 1% in heat capacity, 1% 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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113.56 !Lower temperature limit [K]
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573.0 !Upper temperature limit [K]
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35000.0 !Upper pressure limit [kPa]
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12.90 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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58.1222 !Molar mass [g/mol]
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113.56 !Triple point temperature [K]
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0.000021 !Pressure at triple point [kPa]
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12.738 !Density at triple point [mol/L]
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261.48 !Normal boiling point temperature [K]
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0.185 !Acentric factor
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407.817 3640.0 3.8601429 !Tc [K], pc [kPa], rhoc [mol/L]
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407.817 3.8601429 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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19 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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0.2892737 -0.25 1. 0. !a(i),t(i),d(i),l(i)
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-1.342570 1.5 1. 0.
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-0.007976713 -0.75 2. 0.
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0.2025793 0.0 2. 0.
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-0.04241612 1.25 3. 0.
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0.002617971 1.5 5. 0.
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5.068955e-5 0.5 8. 0.
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-1.144596e-6 2.5 8. 0.
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-1.930153 1.5 3. 1.
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1.982609 1.75 3. 1.
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0.002076533 -0.25 8. 1.
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-0.004958752 3.0 5. 1.
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0.001377372 3.0 6. 1.
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-0.1582662 4.0 1. 2.
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-0.04961892 2.0 5. 2.
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9.45103e-4 -1.0 7. 2.
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-0.03037276 2.0 2. 3.
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-0.01382675 19.0 3. 3.
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8.876254e-5 5.0 15. 3.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for isobutane.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Miyamoto, H. and Watanabe, K.
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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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4.059347 0.0
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4.940314 387.75987
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4.090139 972.01102
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9.739581 4235.81166
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15.68832 1772.81924
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@EOS !---Equation of state---
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BWR !MBWR equation of state for isobutane of Younglove and Ely (1987).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Younglove, B.A. and Ely, J.F.,
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? "Thermophysical properties of fluids. II. Methane, ethane, propane,
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? isobutane and normal butane,"
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? J. Phys. Chem. Ref. Data, 16:577-798, 1987.
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?
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?The uncertainty in density is 0.1%. The uncertainty is
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? 2% for heat capacities, 0.5% for the speed of sound in the vapor, and 1%
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? for the speed of sound in the liquid.
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?
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!```````````````````````````````````````````````````````````````````````````````
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113.55 !Lower temperature limit [K]
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600.0 !Upper temperature limit [K]
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35000.0 !Upper pressure limit [kPa]
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12.89 !Maximum density [mol/L]
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CP2 !Pointer to Cp0 model
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58.1222 !Molar mass [g/mol]
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113.55 !Triple point temperature [K]
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1.948e-5 !Pressure at triple point [kPa]
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12.755 !Density at triple point [mol/L]
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261.537 !Normal boiling point temperature [K]
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0.18534 !Acentric factor
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407.85 3640.0 3.860 !Tc [K], pc [kPa], rhoc [mol/L]
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407.85 3.860 !Reducing parameters [K, mol/L]
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3.860 !gamma
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0.0831434 !Gas constant [L-bar/mol-K]
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32 1 !Nterm, Ncoeff per term
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0.01307325972 0.3927802742 -31.85427394
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7608.825192 -1753919.859 -0.002090019755
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8.959557971 -6816.71013 -1111271.045
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0.0003248737572 -1.046526456 653.6598969
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0.03726503734 8.553649395 2109.987236
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-1.401267363 0.05213089327 -19.25026382
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0.7640067895 3425854.273 -337347592.4
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118068.3444 0.1529683738e+10 3323.837416
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64231.69487 38.91706042 -1494755.736
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-0.01720240173 289.4195375 0.002005086329
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-0.4448393005 80.28488415
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@AUX !---Auxiliary function for Cp0
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CP2 !Ideal gas heat capacity function for isobutane of Younglove and Ely.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Younglove, B.A. and Ely, J.F.,
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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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7 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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17027919.006 -3.0
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-472697.24737 -2.0
|
|
4730.1406581 -1.0
|
|
-17.231723278 0.0
|
|
0.058491344291 1.0
|
|
8.9440351886e-6 2.0
|
|
-1.8274599197e-8 3.0
|
|
-19.283021962 3000.0
|
|
|
|
|
|
@EOS !---Equation of state---
|
|
FES !Helmholtz equation of state for isobutane of Span and Wagner (2003).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Span, R. and Wagner, W.
|
|
? "Equations of State for Technical Applications. II. Results for Nonpolar Fluids,"
|
|
? Int. J. Thermophys., 24(1):41-109, 2003. doi: 10.1023/A:1022310214958
|
|
?
|
|
?The uncertainties of the equation of state are approximately 0.2% (to
|
|
? 0.5% at high pressures) in density, 1% (in the vapor phase) to 2% in
|
|
? heat capacity, 1% (in the vapor phase) to 2% in the speed of sound, and
|
|
? 0.2% in vapor pressure, except in the critical region.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
113.55 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
12.89 !Maximum density [mol/L]
|
|
CPS !Pointer to Cp0 model
|
|
58.123 !Molar mass [g/mol]
|
|
113.55 !Triple point temperature [K]
|
|
0.000020860 !Pressure at triple point [kPa]
|
|
12.784 !Density at triple point [mol/L]
|
|
261.42 !Normal boiling point temperature [K]
|
|
0.185 !Acentric factor
|
|
407.817 3640.0 3.8600898 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
407.817 3.8600898 !Reducing parameters [K, mol/L]
|
|
8.31451 !Gas constant [J/mol-K]
|
|
12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
|
|
1.0429332 0.25 1. 0. !a(i),t(i),d(i),l(i)
|
|
-2.8184273 1.125 1. 0.
|
|
0.86176232 1.5 1. 0.
|
|
-0.10613619 1.375 2. 0.
|
|
0.098615749 0.25 3. 0.
|
|
0.00023948209 0.875 7. 0.
|
|
0.30330005 0.625 2. 1.
|
|
-0.041598156 1.75 5. 1.
|
|
-0.29991937 3.625 1. 2.
|
|
-0.080369343 3.625 4. 2.
|
|
-0.029761373 14.5 3. 3.
|
|
0.01305963 12.0 4. 3.
|
|
|
|
|
|
@AUX !---Auxiliary function for Cp0
|
|
CPS !Ideal gas heat capacity function for isobutane of Jaeschke and Schley (1995).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Jaeschke, M. and Schley, P.
|
|
? "Ideal-Gas Thermodynamic Properties for Natural-Gas Applications,"
|
|
? Int. J. Thermophys., 16(6):1381-1392, 1995. doi: 10.1007/BF02083547
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1.0 8.31451 !Reducing parameters for T, Cp0
|
|
1 0 2 2 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
|
4.06714 0.0
|
|
205919.6 -2.0 198.018 -1.0 -2.0
|
|
12891930.0 -2.0 893.765 -1.0 -2.0
|
|
1724067.0 -2.0 438.27 -1.0 -2.0
|
|
91243950.0 -2.0 1905.02 -1.0 -2.0
|
|
|
|
|
|
@EOS !---Equation of state---
|
|
FE3 !Helmholtz equation of state for isobutane of Polt et al. (1992).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Polt, A., Platzer, B., and Maurer, G.,
|
|
? "Parameter der thermischen Zustandsgleichung von Bender fuer 14
|
|
? mehratomige reine Stoffe,"
|
|
? Chem. Tech. (Leipzig), 44(6):216-224, 1992.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
120.0 !Lower temperature limit [K]
|
|
498.0 !Upper temperature limit [K]
|
|
35000.0 !Upper pressure limit [kPa]
|
|
12.89 !Maximum density [mol/L]
|
|
CP3 !Pointer to Cp0 model
|
|
58.124 !Molar mass [g/mol]
|
|
120.0 !Triple point temperature [K]
|
|
0.46491e-4 !Pressure at triple point [kPa]
|
|
12.649 !Density at triple point [mol/L]
|
|
261.51 !Normal boiling point temperature [K]
|
|
0.1851 !Acentric factor
|
|
407.85 3640.0 3.8607116 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
407.85 3.8607116 !Reducing parameters [K, mol/L]
|
|
8.3143 !Gas constant [J/mol-K]
|
|
22 5 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
|
|
-0.958589873652 3. 0. 0. 0. !a(i),t(i),d(i),l(i)
|
|
0.818846326211 4. 0. 0. 0.
|
|
-0.115814967179 5. 0. 0. 0.
|
|
0.345513148715 0. 1. 0. 0.
|
|
-1.68751721524 1. 1. 0. 0.
|
|
0.936693300209 2. 1. 0. 0.
|
|
-1.06644545724 3. 1. 0. 0.
|
|
0.0980958295776 4. 1. 0. 0.
|
|
0.495941129005 0. 2. 0. 0.
|
|
-0.261313404262 1. 2. 0. 0.
|
|
0.485109471188 2. 2. 0. 0.
|
|
-0.177275820736 0. 3. 0. 0.
|
|
-0.0209415485311 1. 3. 0. 0.
|
|
0.0788178884079 0. 4. 0. 0.
|
|
-0.102751671767 1. 4. 0. 0.
|
|
0.0178645875838 1. 5. 0. 0.
|
|
0.958589873652 3. 0. 2. 1.0071072
|
|
-0.818846326211 4. 0. 2. 1.0071072
|
|
0.115814967179 5. 0. 2. 1.0071072
|
|
0.537585249054 3. 2. 2. 1.0071072
|
|
-0.719424468790 4. 2. 2. 1.0071072
|
|
0.245830118086 5. 2. 2. 1.0071072
|
|
|
|
|
|
@AUX !---Auxiliary function for Cp0
|
|
CP3 !Ideal gas heat capacity function for isobutane.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Polt, A., Platzer, B., and Maurer, G.,
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1.0 58.124 !Reducing parameters for T, Cp0
|
|
5 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
|
0.397893 0.0
|
|
0.00412501 1.0
|
|
-0.196195e-6 2.0
|
|
0.380185e-8 3.0
|
|
-0.52395e-11 4.0
|
|
|
|
|
|
|
|
|
|
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
|
|
|
#ETA !---Viscosity---
|
|
VS1 !Pure fluid viscosity model for isobutane of Vogel et al. (2000).
|
|
:DOI: 10.1023/A:1006623310780
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Vogel, E., Kuechenmeister, C., and Bich, E.,
|
|
? "Viscosity Correlation for Isobutane over Wide Ranges of the Fluid Region,"
|
|
? Int. J. Thermophys, 21(2):343-356, 2000.
|
|
?
|
|
?The uncertainty in viscosity varies from 0.4% in the dilute gas between
|
|
? room temperature and 600 K, to 3.0% over the rest of the fluid surface.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
113.55 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
35000.0 !Upper pressure limit [kPa]
|
|
12.90 !Maximum density [mol/L]
|
|
1 !Number of terms associated with dilute-gas function
|
|
CI1 !Pointer to reduced effective collision cross-section model
|
|
0.46445 !Lennard-Jones coefficient sigma [nm]
|
|
307.55 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
1.0 1.0 !Reducing parameters for T, eta
|
|
0.1628213 0.5 !Chapman-Enskog term
|
|
9 !Number of terms for initial density dependence
|
|
307.55 0.0603345 !Reducing parameters for T (= eps/k), etaB2 (= 0.6022137*sigma**3)
|
|
-19.572881 0.0 !Coefficient, power in T* = T/(eps/k)
|
|
219.73999 -0.25
|
|
-1015.3226 -0.5
|
|
2471.01251 -0.75
|
|
-3375.1717 -1.0
|
|
2491.6597 -1.25
|
|
-787.26086 -1.5
|
|
14.085455 -2.5
|
|
-0.34664158 -5.5
|
|
2 13 1 2 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
|
|
407.817 3.86 1.0 !Reducing parameters for T, rho, eta
|
|
2.33859774637 0.0 0. 0. 0
|
|
2.35255150838 0.5 0. 0. 0
|
|
103.511763411 0.0 2. 0. 0
|
|
-312.670896234 -1.0 2. 0. 0
|
|
145.253750239 -2.0 2. 0. 0
|
|
-210.649894193 0.0 3. 0. 0
|
|
386.269696509 -1.0 3. 0. 0
|
|
-214.963015527 -2.0 3. 0. 0
|
|
112.580360920 0.0 4. 0. 0
|
|
-223.242033154 -1.0 4. 0. 0
|
|
119.114788598 -2.0 4. 0. 0
|
|
-18.1909745900 0.0 5. 0. 0
|
|
36.0438957232 -1.0 5. 0. 0
|
|
-21.3960184050 -2.0 5. 0. 0
|
|
-1940.37606990 0.0 1. -1. 0
|
|
1940.37606990 0.0 1. 0. 0
|
|
1.0 0.0 0. 1. 0
|
|
-1.0 0.0 1. 0. 0
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
|
|
|
|
|
#AUX !---Auxiliary function for the collision integral
|
|
CI1 !Collision integral model for isobutane of Vogel et al. (2000).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Vogel, E., Kuechenmeister, C., and Bich, E., 2000.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
3 !Number of terms
|
|
0.53583008 0 !Coefficient, power of Tstar
|
|
-0.45629630 1
|
|
0.049911282 2
|
|
|
|
|
|
|
|
|
|
================================================================================
|
|
|
|
#TCX !---Thermal conductivity---
|
|
TC1 !Pure fluid thermal conductivity model for isobutane of Perkins (2002).
|
|
:DOI: 10.1021/je010121u
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Perkins, R.A.,
|
|
? "Measurement and Correlation of the Thermal Conductivity of Isobutane
|
|
? from 114 K to 600 K at Pressures to 70 MPa,"
|
|
? J. Chem. Eng. Data, 47(5):1272-1279, 2002.
|
|
?
|
|
?Uncertainty in thermal conductivity is 3%, except in the critical region
|
|
? and dilute gas which have an uncertainty of 5%.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
113.55 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
70000.0 !Upper pressure limit [kPa]
|
|
13.0 !Maximum density [mol/L]
|
|
3 0 !# terms for dilute gas function: numerator, denominator
|
|
407.85 1.0 !Reducing parameters for T, tcx
|
|
-0.00237901 0. !Coefficient, power in T
|
|
0.0106601 1.
|
|
0.0215811 2.
|
|
10 0 !# terms for background gas function: numerator, denominator
|
|
407.85 3.86 1. !Reducing parameters for T, rho, tcx
|
|
-0.0411789 0. 1. 0. !Coefficient, powers of T, rho, spare for future use
|
|
0.0476346 1. 1. 0.
|
|
0.146805 0. 2. 0.
|
|
-0.128445 1. 2. 0.
|
|
-0.11919 0. 3. 0.
|
|
0.107565 1. 3. 0.
|
|
0.0410226 0. 4. 0.
|
|
-0.0385968 1. 4. 0.
|
|
-0.00488704 0. 5. 0.
|
|
0.00520901 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 isobutane of Perkins (2002).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Perkins, R.A.,
|
|
? "Measurement and Correlation of the Thermal Conductivity of Isobutane
|
|
? from 114 K to 600 K at Pressures to 70 MPa,"
|
|
? J. Chem. Eng. Data, 47(5):1272-1279, 2002.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
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)
|
|
1.03 !R0 (universal amplitude)
|
|
0.063 !Z (universal exponent--not used for t.c., only viscosity)
|
|
1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
|
|
0.194e-9 !Xi0 (amplitude) [m]
|
|
0.0496 !Gam0 (amplitude) [-]
|
|
0.657661e-9 !Qd_inverse (modified effective cutoff parameter) [m]
|
|
611.73 !Tref (reference temperature) [K]
|
|
|
|
|
|
|
|
|
|
********************************************************************************
|
|
|
|
@TCX !---Thermal conductivity---
|
|
TC2 !Pure fluid thermal conductivity model for isobutane of Younglove and Ely (1987).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Younglove, B.A. and Ely, J.F.,
|
|
? "Thermophysical properties of fluids. II. Methane, ethane, propane,
|
|
? isobutane and normal butane,"
|
|
? J. Phys. Chem. Ref. Data, 16:577-798, 1987.
|
|
?
|
|
?The uncertainty in thermal conductivity is 2%, except in the critical region
|
|
? which is 10%.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
113.55 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
35000. !Upper pressure limit [kPa]
|
|
12.90 !Maximum density [mol/L]
|
|
CI2 !Pointer to collision integral model
|
|
0.509217 !Lennard-Jones coefficient sigma [nm]
|
|
418.0 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
0.203525266 !Const in Eq 19 = 5/16*(k*MW/1000/pi/Na)**0.5*1.0d12
|
|
1.449797353 !Dilute gas terms (Eq 27): Gt(1)
|
|
-0.1685643887 ! Gt(2)
|
|
0.004307008989 !Residual terms (Eqs 26, 28-30): Et(1)
|
|
-1.509010974
|
|
469.3712392
|
|
-0.0003554280979
|
|
0.1841552874
|
|
-38.92338766
|
|
-0.09354624917
|
|
7.11433059 !Et(8)
|
|
TK2 !Pointer to critical enhancement model (follows immediately)
|
|
0.0034718 !Critical enhancement terms (Eqs D1-D4): X1
|
|
10.1207
|
|
0.466392
|
|
1.00344 !X4
|
|
9.10218e-10 !Z
|
|
1.38054e-23 !Boltzmann's constant, k
|
|
1.6878386520 !Coefficient for initial density dependence of viscosity (eq 21); Fv(1)
|
|
0.0 !Fv(2)
|
|
1.40 !Fv(3)
|
|
407.85 !Fv(4)
|
|
-20.55498053 !Coefficients for residual viscosity, eqs (22 - 25)
|
|
1357.076181 !Ev(2) (the viscosity is also used in conductivity correlation)
|
|
18.93774336 !Ev(3)
|
|
-18222.77344 !Ev(4)
|
|
-0.004599387773 !Ev(5)
|
|
63.05247065 !Ev(6)
|
|
12822.53921 !Ev(7)
|
|
|
|
|
|
@ETA !---Viscosity---
|
|
VS2 !Pure fluid viscosity model for isobutane of Younglove and Ely (1987).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Younglove, B.A. and Ely, J.F.,
|
|
? "Thermophysical properties of fluids. II. Methane, ethane, propane,
|
|
? isobutane and normal butane,"
|
|
? J. Phys. Chem. Ref. Data, 16:577-798, 1987.
|
|
?
|
|
?The uncertainty in viscosity is 2%, except in the critical region which is 10%.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
113.55 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
35000.0 !Upper pressure limit [kPa]
|
|
12.90 !Maximum density [mol/L]
|
|
CI2 !Pointer to collision integral model
|
|
0.509217 !Lennard-Jones coefficient sigma [nm]
|
|
418.0 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
0.203525266 !Const in Eq 19 = 5/16*(k*MW/1000/pi/Na)**0.5*1.0d12
|
|
0.5 !Exponent in Eq 19 for T
|
|
1.6878386520 !Coefficient for initial density dependence of viscosity (eq 21); Fv(1)
|
|
0.0 !Fv(2)
|
|
1.40 !Fv(3)
|
|
407.85 !Fv(4)
|
|
-20.55498053 !Coefficients for residual viscosity, eqs (22 - 25)
|
|
1357.076181 !Ev(2)
|
|
18.93774336 !Ev(3)
|
|
-18222.77344 !Ev(4)
|
|
-0.004599387773 !Ev(5)
|
|
63.05247065 !Ev(6)
|
|
12822.53921 !Ev(7)
|
|
3.86 !Ev(8)
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
|
|
|
|
|
@AUX !---Auxiliary function for the collision integral
|
|
CI2 !Collision integral model for isobutane of Younglove and Ely (1987).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Younglove, B.A. and Ely, J.F.,
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
9 !Number of terms
|
|
-3.0328138281 0 !Omega (eq 20): coeffs of {(e/kT)**((4-n)/3)}
|
|
16.918880086 0 !There is misprint in Younglove and Ely, the exponent
|
|
-37.189364917 0 ! is ((4-n)/3) not ((n+2)/3)
|
|
41.288861858 0
|
|
-24.61592114 0
|
|
8.948843096 0
|
|
-1.8739245042 0
|
|
0.209661014 0 !Wrong sign in Younglove and Ely, Table 2
|
|
-0.009657044 0
|
|
|
|
|
|
|
|
|
|
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
|
|
|
@TRN !---ECS Transport---
|
|
ECS !Extended Corresponding States model (Nitrogen reference); predictive mode for isobutane.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Klein, S.A., McLinden, M.O., and Laesecke, A., "An Improved Extended Corresponding States Method for Estimation of Viscosity of Pure Refrigerants and Mixtures," Int. J. Refrigeration, 20(3):208-217, 1997. doi: 10.1016/S0140-7007(96)00073-4.
|
|
?McLinden, M.O., Klein, S.A., and Perkins, R.A., "An Extended Corresponding States Model for the Thermal Conductivity of Refrigerants and Refrigerant Mixtures," Int. J. Refrigeration, 23(1):43-63, 2000. doi: 10.1016/S0140-7007(99)00024-9
|
|
?
|
|
?Thermal conductivity and viscosity data used in the development of the
|
|
? extended corresponding states correlations were taken from:
|
|
? Younglove, B.A. and Ely, J.F., "Thermophysical properties of fluids. II. Methane, ethane, propane, isobutane and normal butane," J. Phys. Chem. Ref. Data, 16:577-798, 1987.
|
|
?
|
|
?The Lennard-Jones parameters were taken from Vogel, E., Kuechenmeister, C., and Bich, E., "Viscosity Correlation for Isobutane over Wide Ranges of the Fluid Region," Int. J. Thermophys, 21(2):343-356, 2000.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
113.55 !Lower temperature limit [K]
|
|
600.0 !Upper temperature limit [K]
|
|
35000.0 !Upper pressure limit [kPa]
|
|
12.90 !Maximum density [mol/L]
|
|
FEQ NITROGEN.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)
|
|
0.46445 !Lennard-Jones coefficient sigma [nm]
|
|
307.55 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
|
|
0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
|
|
1 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
|
|
1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
|
|
1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
TK3 !Pointer to critical enhancement auxiliary function
|
|
|
|
|
|
|
|
|
|
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
|
|
|
#STN !---Surface tension---
|
|
ST1 !Surface tension model for isobutane of Mulero et al. (2012).
|
|
:DOI: 10.1063/1.4768782
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Mulero, A., Cachadiña, 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. !
|
|
2 !Number of terms in surface tension model
|
|
407.81 !Critical temperature used in fit (dummy)
|
|
-0.01639 2.102 !Sigma0 and n
|
|
0.06121 1.304
|
|
|
|
|
|
#DE !---Dielectric constant---
|
|
DE3 !Dielectric constant model for isobutane of Harvey and Lemmon (2005).
|
|
:DOI: 10.1007/s10765-005-2351-5
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Harvey, A.H. and Lemmon, E.W.,
|
|
? "Method for Estimating the Dielectric Constant of Natural Gas Mixtures,"
|
|
? Int. J. Thermophys., 26(1):31-46, 2005. doi: 10.1007/s10765-005-2351-5
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
273.16 1000.0 1.0 !Reducing parameters for T and D
|
|
1 2 4 0 0 0 !Number of terms in dielectric constant model
|
|
0.388417 -1. 1. 0. !Coefficient, T exp, D exp
|
|
20.534 0. 1. 0.
|
|
0.020 1. 1. 0.
|
|
126.25 0. 2. 0.
|
|
52.91 1. 2. 0.
|
|
-7501.4 0. 2.9 0.
|
|
-2672.9 1. 2.9 0.
|
|
|
|
|
|
#MLT !---Melting line---
|
|
ML1 !Melting line model for isobutane of Buecker and Wagner (2005).
|
|
:DOI: 10.1063/1.1901687
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Bücker, D. and Wagner, W.,
|
|
? "Reference Equations of State for the Thermodynamic Properties of Fluid
|
|
? Phase n-Butane and Isobutane,"
|
|
? J. Phys. Chem. Ref. Data, 35(1):929-1019, 2006. doi: 10.1063/1.1901687
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
113.73 !Lower temperature limit [K]
|
|
575.0 !Upper temperature limit [K]
|
|
0. !
|
|
0. !
|
|
113.73 0.000022891 !Reducing temperature and pressure
|
|
2 0 0 0 0 0 !Number of terms in melting line equation
|
|
-1953637129.0 0.0 !Coefficients and exponents
|
|
1953637130.0 6.12
|
|
|
|
|
|
#PS !---Vapor pressure---
|
|
PS5 !Vapor pressure equation for isobutane of Gao (2017).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Gao, K., 2017.
|
|
?
|
|
?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
|
|
? are the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
407.81 3629.0 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
-6.8729 1.0
|
|
1.6010 1.5
|
|
-0.94157 2.0
|
|
-2.9547 4.0
|
|
-2.0973 22.5
|
|
|
|
|
|
#DL !---Saturated liquid density---
|
|
DL2 !Saturated liquid density equation for isobutane of Buecker and Wagner (2005).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Functional Form: D=Dc*[1+SUM(Ni*Theta^(ti/3))] 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. !
|
|
407.81 3.879756788 !Reducing parameters
|
|
4 0 0 0 0 0 !Number of terms in equation
|
|
2.04025104 1.065
|
|
0.850874089 3.0
|
|
-0.479052281 4.0
|
|
0.348201252 7.0
|
|
|
|
|
|
#DV !---Saturated vapor density---
|
|
DV3 !Saturated vapor density equation for isobutane of Gao (2017).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Gao, K., 2017.
|
|
?
|
|
?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
|
|
? the reducing parameters below, which are followed by rows containing Ni and ti.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
407.81 3.879756788 !Reducing parameters
|
|
5 0 0 0 0 0 !Number of terms in equation
|
|
-1.9589 0.33
|
|
-5.9042 1.0
|
|
-17.630 3.0
|
|
-52.415 6.85
|
|
-127.72 16.0
|
|
|
|
|
|
@END
|
|
c 1 2 3 4 5 6 7 8
|
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c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|