757 lines
37 KiB
Plaintext
757 lines
37 KiB
Plaintext
Parahydrogen !Short name
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1333-74-0p !CAS number
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Parahydrogen !Full name
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H2 !Chemical formula {H2}
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R-702p !Synonym
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2.01588 !Molar mass [g/mol]
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13.8033 !Triple point temperature [K]
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20.271 !Normal boiling point [K]
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32.938 !Critical temperature [K]
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1285.8 !Critical pressure [kPa]
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15.538 !Critical density [mol/L]
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-0.219 !Acentric factor
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0.0 !Dipole moment [Debye]; (exactly zero due to symmetry)
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NBP !Default reference state
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10.0 !Version number
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1049 !UN Number :UN:
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cryogen !Family :Family:
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285.83 !Heating value (upper) [kJ/mol] :Heat:
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A3 !Safety Group (ASHRAE Standard 34, 2010) :Safety:
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???? !Standard InChI String :InChi:
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???? !Standard InChI Key :InChiKey:
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8d757b40 (hydrogen) !Alternative fluid for mixing rules :AltID:
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8d757b4a !Hash number from InChI Key :Hash:
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!Quantum mechanics requires orthohydrogen to retain rotational energy at low temperatures, even below the triple point
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! temperature, that manifests in significantly higher ideal-gas thermal properties relative to parahydrogen. The
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! traditional reference state determination method of setting the enthalpy and entropy of an ideal-gas equal to zero for a
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! saturated liquid at the normal boiling point does not account for this difference and results in false comparisons
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! between parahydrogen and orthohydrogen. To allow the orthohydrogen and parahydrogen equations of state to accurately
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! reflect these differences, the reference state properties for orthohydrogen have been set in agreement with those
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! tabulated in LeRoy et al., J. Phys. Chem., 94:923-929, 1990.
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!
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!Here, the reference state for parahydrogen was left as NBP to conform with that from earlier versions of Refprop.
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! If you wish to obtain enthalpy and entropy properties that are consistent with those now used in the orthohydrogen
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! fluid file, delete line 14 above that has NBP on it and replace it with the following two lines:
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!OT0 !Default reference state that agrees with those of LeRoy et al., J. Phys. Chem., 94:923-929, 1990.
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!25.0 0.1 519.654 123.5089
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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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! 04-06-98 EWL, Original version.
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! 10-20-99 EWL, Add tcx and eta formulations from NIST12, Version 3.1.
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! 08-05-04 EWL, Add Harvey and Lemmon dielectric correlation.
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! 03-27-07 JWL, Add equation of state of Leachman et al. (2009).
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! 10-16-07 EWL, Change upper temp. limit of vis and tcx from 400 to 1000 K based on good graphical extrapolation.
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! 07-17-08 EWL, Change incorrect molecular weight from 2.01594 to 2.01588.
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! 07-21-08 EWL, Add vapor pressure ancillary.
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! 06-17-10 CKL, Add ancillaries for sat. densities.
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! 04-07-11 MLH, Add thermal conductivity model of Assael et al. (2011).
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! 04-07-11 MLH, Add viscosity model of Quinones-Cisneros et al. (2011) but not as default.
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! 11-16-12 MLH, Add new SR model of Muzny for viscosity.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 05-13-17 EWL, Change the ECS LJ sigma from 2.827 to the correct 0.2827.
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! 05-15-17 EWL, Change the hard coded VS0 model to the VS7 reverse Polish notation.
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! 08-06-17 EWL, Change melting point at Ttrp to match triple point pressure of Leachman et al.
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! 02-13-18 IHB, Update sublimation line model to match triple point (w/ AHH).
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for parahydrogen of Leachman et al. (2009).
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:TRUECRITICALPOINT: 32.938 15.538 !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: 10.1063/1.3160306
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Leachman, J.W., Jacobsen, R.T, Penoncello, S.G., and Lemmon, E.W.,
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? "Fundamental Equations of State for Parahydrogen, Normal Hydrogen, and Orthohydrogen,"
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? J. Phys. Chem. Ref. Data, 38(3):721-748, 2009.
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?
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?The uncertainty in density is 0.1% at temperatures from the triple point
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? to 250 K and at pressures up to 40 MPa, except in the critical region,
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? where an uncertainty of 0.2% in pressure is generally attained. In the
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? region between 250 and 450 K and at pressures to 300 MPa, the
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? uncertainty in density is 0.04%. At temperatures between 450 and 1000
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? K, the uncertainty in density increases to 1%. At pressures between 300
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? and 2000 MPa, the uncertainty in density is 8%. Speed of sound data are
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? represented within 0.5% below 100 MPa. The estimated uncertainty for
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? heat capacities is 1.0%. The estimated uncertainties of vapor pressures
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? and saturated liquid densities calculated with the Maxwell criterion
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? are 0.1% for each property.
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?
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!```````````````````````````````````````````````````````````````````````````````
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13.8033 !Lower temperature limit [K]
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1000.0 !Upper temperature limit [K]
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2000000.0 !Upper pressure limit [kPa]
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104.0 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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2.01588 !Molar mass [g/mol]
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13.8033 !Triple point temperature [K]
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7.041 !Pressure at triple point [kPa]
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38.185 !Density at triple point [mol/L]
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20.271 !Normal boiling point temperature [K]
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-0.219 !Acentric factor
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32.938 1285.8 15.538 !Tc [K], pc [kPa], rhoc [mol/L]
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32.938 15.538 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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9 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.01 1.0 4. 0. !a(i),t(i),d(i),l(i)
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-7.33375 0.6855 1. 0.
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2.60375 1.0 1. 0.
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4.66279 0.489 1. 0.
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0.682390 0.774 2. 0.
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-1.47078 1.133 2. 0.
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0.135801 1.386 3. 0.
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-1.05327 1.619 1. 1.
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0.328239 1.162 3. 1.
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-0.0577833 3.96 2. 2. 2. -1.7437 -0.194 0.8048 1.5487 0. 0. 0.
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0.0449743 5.276 1. 2. 2. -0.5516 -0.2019 1.5248 0.1785 0. 0. 0.
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0.0703464 0.99 3. 2. 2. -0.0634 -0.0301 0.6648 1.28 0. 0. 0.
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-0.0401766 6.791 1. 2. 2. -2.1341 -0.2383 0.6832 0.6319 0. 0. 0.
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0.119510 3.190 1. 2. 2. -1.7770 -0.3253 1.4930 1.7104 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 parahydrogen of Leachman et al. (2009).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Leachman, J.W., Jacobsen, R.T, Penoncello, S.G., and Lemmon, E.W., 2009.
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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 7 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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2.5 0.0
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4.30256 499.0
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13.0289 826.5
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-47.7365 970.8
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50.0013 1166.2
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-18.6261 1341.4
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0.993973 5395.0
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0.536078 10185.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for parahydrogen of Leachman et al. (2009).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Leachman, J.W., Jacobsen, R.T, Penoncello, S.G., and Lemmon, E.W., 2009.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 7 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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1.5 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-1.4485885457134948 0.0 !aj, ti for [ai*tau**ti] terms
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1.8845208741487571 1.0 !aj, ti for [ai*tau**ti] terms
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4.30256 499.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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13.0289 826.5
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-47.7365 970.8
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50.0013 1166.2
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-18.6261 1341.4
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0.993973 5395.0
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0.536078 10185.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for parahydrogen.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Leachman, J.W., Jacobsen, R.T, Penoncello, S.G., and Lemmon, E.W., 2009.
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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 7 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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1.5 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-1.4485891134 0.0 !aj, ti for [ai*tau**ti] terms
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1.884521239 1.0
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4.30256 -15.1496751472 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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13.0289 -25.0925982148
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-47.7365 -29.4735563787
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50.0013 -35.4059141417
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-18.6261 -40.724998482
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0.993973 -163.7925799988
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0.536078 -309.2173173842
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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BWR !MBWR equation of state for parahydrogen of Younglove (1982).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Younglove, B.A.,
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? "Thermophysical Properties of Fluids. I. Argon, Ethylene,
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? Parahydrogen, Nitrogen, Nitrogen Trifluoride, and Oxygen,"
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? J. Phys. Chem. Ref. Data, Vol. 11, Suppl. 1, pp. 1-11, 1982.
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?
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?The uncertainties in density are 0.1% in the liquid phase, 0.25% in the
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? vapor phase, and 0.2% in the supercritical region. The uncertainty in
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? heat capacity is 3% and the uncertainty in speed of sound is 2% in the
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? liquid phase and 1% elsewhere.
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?
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?Note:
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? The ideal gas equation was refit from calculations of piecewise Cp0 equation
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? of McCarty
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?
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!```````````````````````````````````````````````````````````````````````````````
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13.8 !Lower temperature limit [K]
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400.0 !Upper temperature limit [K]
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121000.0 !Upper pressure limit [kPa]
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44.0 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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2.01594 !Molar mass [g/mol]
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13.8 !Triple point temperature [K]
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7.042 !Pressure at triple point [kPa]
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38.21 !Density at triple point [mol/L]
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20.2769 !Normal boiling point temperature [K]
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-0.218 !Acentric factor
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32.938 1283.77 15.556 !Tc [K], pc [kPa], rhoc [mol/L]
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32.938 15.556 !Reducing parameters [K, mol/L]
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15.6173762 !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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0.0004675528393416 0.04289274251454 -0.5164085596504
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2.961790279801 -30.27194968412 0.1908100320379e-4
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-0.001339776859288 0.3056473115421 51.61197159532
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0.1999981550224e-6 0.0002896367059356 -0.02257803939041
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-0.2287392761826e-5 0.2446261478645e-4 -0.001718181601119
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-0.5465142603459e-6 0.4051941401315e-8 0.1157595123961e-5
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-0.1269162728389e-7 -49.83023605519 -160.6676092098
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-0.192679918531 9.319894638928 -0.0003222596554434
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0.001206839307669 -0.384158819747e-6 -0.4036157453608e-4
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-0.1250868123513e-9 0.1976107321888e-8 -0.2411883474011e-12
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-0.4127551498251e-12 0.891797288361e-11
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for parahydrogen.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?refit by EWL from calculations of piecewise fit of Cp0 by McCarty
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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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6 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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2.4995169 0.0
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-0.0011125185 1.0
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0.00027491461 1.5
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-0.000010005269 2.0
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0.22695404e-8 3.0
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-0.21031029e-12 4.0
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12.353388 598.0
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-17.777676 778.0
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6.4309174 1101.0
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7.3347521 6207.0
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS7 !Pure fluid viscosity model from symbolic regression for parahydrogen of Muzny et al. (2013).
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:DOI: 10.1021/je301273j
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Muzny, C.D., Huber, M.L., and Kazakov, A.F.,
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? "Correlation for the Viscosity of Normal Hydrogen Obtained from Symbolic Regression,"
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? J. Chem. Eng. Data, 58:969-979, 2013.
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?
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?The estimated uncertainty is 4 % for the saturated liquid from the triple point to 31 K, with larger deviations
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? as the critical region is approached. The estimated uncertainty is 4 % for the supercritical fluid phase at pressures to 200 MPa.
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? For the limited range of 200 K to 400 K at pressures up to 0.1 MPa, the uncertainty is 0.1 %.
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?
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!```````````````````````````````````````````````````````````````````````````````
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13.8033 !Lower temperature limit [K]
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2000.0 !Upper temperature limit [K]
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2000000.0 !Upper pressure limit [kPa]
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104.0 !Maximum density [mol/L]
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NUL !Pointer to collision integral model
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!
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!Dilute gas function
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$DG RED SUMLOGT:5 EXP CNST SQR * INV SUM:1 CNST * SQRT *
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!
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!Second viscosity virial function
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$VV RED SUM:7 CNST CUBE *
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!
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!Residual function
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$RF RED SUM:3 SUM:1 SUM:2 / + EXP SUM:1 *
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!
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!Coefficients
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$CF
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0.021357 30.41 1. 0. 0 !Reducing parameters for eta, T, rho
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0.209630 0. 0. 0. 0 ! s1*LOG(Ts) Coefficient to match Moldover
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-0.455274 1. 0. 0. 0 ! s2*LOG(Ts)
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0.143602 2. 0. 0. 0 ! s3*LOG(Ts)^2
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-0.0335325 3. 0. 0. 0 ! s4*LOG(Ts)^3
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0.00276981 4. 0. 0. 0 ! s5*LOG(Ts)^4
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0.297 0. 0. 0. 0 ! e3^2*EXP(above)
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2.01588 1. 0. 0. 0 ! e2*T (use below)
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30.41 0. 0. 0. 0 ! SQRT(e2*T*Tred)
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!Virial terms
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0.6022137 30.41 1. 0. 0 !Reducing parameters for eta, T, rho
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-0.187 0. 0. 0. 0 ! b2
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2.4871 -1. 0. 0. 0 ! b3/Ts
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3.7151 -2. 0. 0. 0 ! b4/Ts^2
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-11.0972 -3. 0. 0. 0 ! b5/Ts^3
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9.0965 -4. 0. 0. 0 ! b6/Ts^4
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-3.8292 -5. 0. 0. 0 ! b7/Ts^5
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0.5166 -6. 0. 0. 0 ! b8/Ts^6
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0.297 0. 0. 0. 0 ! b9^3*sum(above)
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!Residual function terms
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1000. 33.145 45.096479408 0. 0 !Reducing parameters for eta, T, rho
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0.0456334068 1. 0. 0. 0 ! a2*Tr
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0.232797868 -1. 0. 0. 0 ! a3/Tr
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0.363576595 0. 6. 0. 0 ! a6*Dr^6
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0.958326120 0. 2. 0. 0 ! a4*Dr^2
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0.127941189 0. 0. 0. 0 ! a5
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1.0 1. 0. 0. 0 ! [a4*Dr^2 from above]/(a5+Tr)
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0.00643449673 0. 2. 0. 0 ! a1*Dr^2*EXP(above)
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NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
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================================================================================
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#TCX !---Thermal conductivity---
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TC1 !Pure fluid thermal conductivity model for parahydrogen of Assael et al. (2011).
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:DOI: 10.1063/1.3606499
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Assael, M.J., Assael. J.-A.M., Huber, M.L., Perkins, R.A., and Takata, Y.,
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? "Correlation of the Thermal Conductivity of Normal and Parahydrogen
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? from the Triple Point to 1000 K and up to 100 MPa,"
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? J. Phys. Chem. Ref. Data, 40(3), 033101, 2011.
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?
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?For the region from the triple point to 300 K at pressures to 20 MPa, the estimated uncertainty
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? is 4%, with the exception of the critical region. The uncertainty is estimated to
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? be 6% for temperatures from 400 K to 1000 K and pressures to 100 MPa. The correlation behaves
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? in a physically reasonable manner for extrapolations to higher pressures at temperatures
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? below 400 K, but will be subject to larger uncertainties.
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?
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!```````````````````````````````````````````````````````````````````````````````
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13.8033 !Lower temperature limit [K]
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1000.0 !Upper temperature limit [K]
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2000000.0 !Upper pressure limit [kPa]
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104.0 !Maximum density [mol/L]
|
||
8 7 !# terms for dilute gas function: numerator, denominator
|
||
1.0 0.001 !Reducing parameters for T, tcx
|
||
-1245. 0.
|
||
9418.06 1.
|
||
-305.098 2.
|
||
6.88449 3.
|
||
-0.0558871 4.
|
||
2.79243e-4 5.
|
||
-4.06944e-7 6.
|
||
3.42309e-10 7.
|
||
14230.4 0.
|
||
-588.749 1.
|
||
14.5983 2.
|
||
-0.13483 3.
|
||
6.19047e-4 4.
|
||
-9.21777e-7 5.
|
||
7.83099e-10 6.
|
||
10 0 !# terms for background gas function: numerator, denominator
|
||
32.938 15.538 1. !Reducing parameters for T, rho, tcx
|
||
0.0265975 0. 1. 0.
|
||
-0.00133826 0. 2. 0.
|
||
0.0130219 0. 3. 0.
|
||
-0.00567678 0. 4. 0.
|
||
-0.92338e-4 0. 5. 0.
|
||
-0.00121727 1. 1. 0.
|
||
0.00366663 1. 2. 0.
|
||
0.00388715 1. 3. 0.
|
||
-0.00921055 1. 4. 0.
|
||
0.00400723 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 parahydrogen of Assael et al. (2011).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Assael, M.J., Assael. J.-A.M., Huber, M.L., Perkins, R.A., and Takata, Y., 2011.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
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)
|
||
1.2415 !Gamma (universal exponent)
|
||
1.01 !R0 (universal amplitude)
|
||
0.065 !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)
|
||
0.15e-9 !Xi0 (amplitude) [m]
|
||
0.052 !Gam0 (amplitude) [-]
|
||
0.5e-9 !Qd_inverse (modified effective cutoff parameter) [m]
|
||
49.407 !Tref (reference temperature) [K]
|
||
|
||
|
||
|
||
|
||
********************************************************************************
|
||
|
||
@ETA !---Viscosity---
|
||
VS4 !Pure fluid generalized friction theory viscosity model for parahydrogen of Quinones-Cisneros et al. (2011).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Quinones-Cisneros, S.E., Huber, M.L., and Deiters, U.K.,
|
||
? model of 27-jan-2011 unpublished
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
13.8033 !Lower temperature limit [K]
|
||
1000.0 !Upper temperature limit [K]
|
||
2000000.0 !Upper pressure limit [kPa]
|
||
104.0 !Maximum density [mol/L]
|
||
8 1 2 0 0 0 !Number of terms associated with dilute-gas function
|
||
NUL !Pointer to reduced effective collision cross-section model; not used
|
||
0.2827 !Lennard-Jones coefficient sigma [nm];not used
|
||
59.7 !Lennard-Jones coefficient epsilon/kappa [K];not used
|
||
32.938 1.0 !Reducing parameters for T, eta
|
||
0.0 0.5 !Chapman-Enskog term; not used here !use for extra pieces?
|
||
7.7144542105280585 0.0
|
||
-36.82065170523866 0.25
|
||
68.49882398219104 0.50
|
||
-58.00162637079715 0.75
|
||
27.013888066380914 1.0
|
||
-5.55928755948473 1.25
|
||
0.46490717320145977 1.50
|
||
1. 0.75 !Additional special terms for numerator
|
||
1. 0.0 !Additional special terms for denominator
|
||
1. 1.0 !Additional special terms for denominator
|
||
7 !Number of terms for initial density dependence
|
||
1.0 0.0157768 !Reducing parameters for T (= eps/k), etaB2 (= 0.6022137*sigma**3)
|
||
-0.187 0.0 !Coefficient, power in T* = T/(eps/k)
|
||
75.6327 -1.0
|
||
3435.61 -2.0
|
||
-312078. -3.0
|
||
7779290. -4.0
|
||
-99584100. -5.0
|
||
408557000. -6.0
|
||
-0.03768564675677641 0.02238493598199995 0.006424167560123974 -5.723254060608424e-7 0.0 ! a(0),a(1),a(2)
|
||
-0.04897821165342249 -0.05786784231898735 0.016640614921653815 -4.352926821749732e-6 0.0 ! b(0),b(1),b(2)
|
||
0.0 0.0 0.0 0.0 0.0 ! c(0),c(1),c(2)
|
||
-3.046799839803415e-5 8.228692086410122e-5 1.8647927082356328e-5 -4.59581250908383e-10 0.0 ! A(0),A(1),A(2)
|
||
1.232548095616199e-4 1.2379026782334722e-4 7.504884568669591e-6 1.9436562071471596e-8 0.0 ! B(0),B(1),B(2)
|
||
0.0 0.0 0.0 0.0 0.0 ! C(0),C(1),C(2)
|
||
3.1464688766415165e-7 4.304432732999407e-7 -7.96709495655157e-8 0.0 0.0 ! D(0),D(1),D(2)
|
||
0.0 0.0 0.0 0.0 0.0 ! E(0),E(1),E(2)
|
||
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
||
|
||
|
||
|
||
|
||
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||
|
||
@TRN !---ECS Transport---
|
||
ECS !Extended Corresponding States model (Nitrogen reference); predictive mode for parahydrogen.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?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
|
||
?
|
||
?The Lennard-Jones parameters are for H2 from Reid, R.C., Prausnitz, J.M., and Poling, B.E., "The Properties of Gases and Liquids," 4th edition, New York, McGraw-Hill Book Company, 1987.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
13.8 !Lower temperature limit [K]
|
||
400.0 !Upper temperature limit [K]
|
||
121000.0 !Upper pressure limit [kPa]
|
||
66.94 !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)
|
||
0.2827 !Lennard-Jones coefficient sigma [nm] for ECS method
|
||
59.7 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|
||
1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
|
||
0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
|
||
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 parahydrogen of Mulero et al. (2012).
|
||
:DOI: 10.1063/1.4768782
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Mulero, A., Cachadi<64>a, I., and Parra, M.I.,
|
||
? "Recommended Correlations for the Surface Tension of Common Fluids,"
|
||
? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
1 !Number of terms in surface tension model
|
||
32.938 !Critical temperature used in fit (dummy)
|
||
0.005314 1.06 !Sigma0 and n
|
||
|
||
|
||
#DE !---Dielectric constant---
|
||
DE3 !Dielectric constant model for parahydrogen 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
|
||
0 2 3 0 0 0 !Number of terms in dielectric constant model
|
||
2.0297 0. 1. 0. !Coefficient, T exp, D exp
|
||
0.0069 1. 1. 0.
|
||
0.181 0. 2. 0.
|
||
0.021 1. 2. 0.
|
||
-7.4 0. 3. 0.
|
||
|
||
|
||
#MLT !---Melting line---
|
||
MLP !Melting line model for parahydrogen of Younglove (1982).
|
||
:DOI:
|
||
:WEB: https://srd.nist.gov/JPCRD/jpcrdS1Vol11.pdf
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Younglove, B.A.,
|
||
? "Thermophysical Properties of Fluids. I. Argon, Ethylene,
|
||
? Parahydrogen, Nitrogen, Nitrogen Trifluoride, and Oxygen,"
|
||
? J. Phys. Chem. Ref. Data, Vol. 11, Suppl. 1, pp. 1-11, 1982.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
13.8 !Lower temperature limit [K]
|
||
400.0 !Upper temperature limit [K]
|
||
0. !
|
||
0. !
|
||
1. 1000. !Reducing temperature and pressure
|
||
4 0 0 0 0 0 !Number of terms in melting line equation
|
||
-26.5289115 0.0 !Coefficients and exponents
|
||
0.248578596 1.764739
|
||
-21.2823393 0.0
|
||
0.125746643 1.955
|
||
|
||
|
||
#SBL !---Sublimation line---
|
||
SB2 !Sublimation line model for parahydrogen of Brown and Zeigler (2009).
|
||
:DOI: 10.1007/978-1-4613-9856-1_76
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Based on G.N. Brown and W.T. Ziegler, Adv. Cryo. Eng., 25:662-670, 1979.
|
||
? Modified to match the triple point of the equation of state.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0.0 !Lower temperature limit [K]
|
||
13.8 !Upper temperature limit [K]
|
||
0. !
|
||
0. !
|
||
1.0 1000.0 !Reducing temperature and pressure
|
||
6 0 0 0 0 0 !Number of terms in sublimation line equation
|
||
4.78288 0.0 !Coefficients and exponents
|
||
-1.485636e2 -1.0
|
||
2.32321e2 -2.0
|
||
-5.60207e2 -3.0
|
||
6.64126e2 -4.0
|
||
-2.8906e2 -5.0
|
||
|
||
|
||
#PS !---Vapor pressure---
|
||
PS5 !Vapor pressure equation for parahydrogen of Leachman et al. (2009).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?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. !
|
||
32.938 1285.8 !Reducing parameters
|
||
4 0 0 0 0 0 !Number of terms in equation
|
||
-4.87767 1.0
|
||
1.03359 1.5
|
||
0.826680 2.65
|
||
-0.129412 7.4
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for parahydrogen of Lemmon (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, C.K. and Lemmon, E.W., 2010.
|
||
?
|
||
?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
|
||
? the reducing parameters below, which are followed by rows containing Ni and ti.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
32.938 15.538 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-0.13509 0.15
|
||
4.0739 0.44
|
||
-5.3985 0.7
|
||
5.5230 0.99
|
||
-2.3643 1.31
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for parahydrogen of Lemmon (2010).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Lemmon, C.K. and Lemmon, E.W., 2010.
|
||
?
|
||
?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. !
|
||
32.938 15.538 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
-5.7545 0.53
|
||
3.8153 0.7
|
||
-12.293 1.7
|
||
15.095 2.4
|
||
-17.295 3.3
|
||
-34.190 10.0
|
||
|
||
|
||
@END
|
||
c 1 2 3 4 5 6 7 8
|
||
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
||
|
||
|
||
@ETA !Viscosity model specification
|
||
VS0 pure fluid viscosity model of McCarty and Weber (1972).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?McCarty, R.D. and Weber, L.A.,
|
||
? "Thermophysical properties of parahydrogen from the freezing liquid line to
|
||
? 5000 R for pressures to 10,000 psia,"
|
||
? Natl. Bur. Stand., Tech. Note 617, 1972.
|
||
?
|
||
?The uncertainty in viscosity ranges from 4% to 15%.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
13.8 !Lower temperature limit [K]
|
||
1000.0 !Upper temperature limit [K]
|
||
121000.0 !Upper pressure limit [kPa]
|
||
66.94 !Maximum density [mol/L]
|
||
H2 !Pointer to hardcoded thermal conductivity model
|
||
0 9 8 0 0 0 0 0 !Number of terms for various pieces
|
||
1.0 1.0 1.0 !Reducing parameters for T, rho, eta
|
||
-18.41091042788 0. 0. 0. 0 !Dilute gas coeffs
|
||
31.85762039455 0. 0. 0. 0
|
||
-23.08233586574 0. 0. 0. 0
|
||
9.129812714730 0. 0. 0. 0
|
||
-2.163626387630 0. 0. 0. 0
|
||
0.3175128582601 0. 0. 0. 0
|
||
-0.02773173035271 0. 0. 0. 0
|
||
0.001347359367871 0. 0. 0. 0
|
||
-0.2775671778154e-4 0. 0. 0. 0
|
||
-10.99981128000 0. 0. 0. 0 !Residual coeffs
|
||
18.95876508000 0. 0. 0. 0
|
||
-381.3005056000 0. 0. 0. 0
|
||
59.50473265000 0. 0. 0. 0
|
||
1.099399458000 0. 0. 0. 0
|
||
8.987269839000 0. 0. 0. 0
|
||
1231.422148000 0. 0. 0. 0
|
||
0.311 0. 0. 0. 0
|
||
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
||
|
||
|
||
@ETA !Viscosity model specification
|
||
VS0 pure fluid viscosity model from symbolic regression (Muzny, Huber, Kazakov) (2013).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Muzny, C.D., Huber, M.L., and Kazakov, A.F.,
|
||
? "Correlation for the Viscosity of normal hydrogen obtained from symbolic regression"
|
||
? submitted to J. Chem. Eng. Data, 2013
|
||
?
|
||
?The estimated uncertainty is 4 % for the saturated liquid from the triple point to 31 K, with larger deviations
|
||
? as the critical region is approached. The estimated uncertainty is 4 % for the supercritical fluid phase at pressures to 200 MPa.
|
||
? For the limited range of 200 K to 400 K at pressures up to 0.1 MPa, the uncertainty is 0.1 %.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
13.8033 !Lower temperature limit [K]
|
||
2000.0 !Upper temperature limit [K]
|
||
2000000.0 !Upper pressure limit [kPa]
|
||
104.0 !Maximum density [mol/L]
|
||
H2A !Pointer to hardcoded model
|
||
0 0 0 0 0 0 0 0 !Number of terms for various pieces
|
||
1.0 1.0 1.0 !Reducing parameters for T, rho, eta
|
||
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
||
|
||
|
||
@SBL !---Sublimation line---
|
||
SB2 !Sublimation line model for parahydrogen of McCarty et al. (1981).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?McCarty, R.D., Hord, J., and Roder, H.M.,
|
||
? "Selected Properties of Hydrogen (Engineering Design Data),"
|
||
? NBS Monograph 168, National Bureau of Standards, Boulder, 1981.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
13.8 !Upper temperature limit [K]
|
||
0. !
|
||
0. !
|
||
1. 0.13332237 !Reducing temperature and pressure
|
||
2 0 1 0 0 0 !Number of terms in sublimation line equation
|
||
4.009857354 0.0 !Coefficients and exponents
|
||
-90.77568949 -1.0
|
||
2.489830940 1.0
|