634 lines
29 KiB
Plaintext
634 lines
29 KiB
Plaintext
Heavy water !Short name
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7789-20-0 !CAS number
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Deuterium oxide !Full name
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D2O !Chemical formula {D2O}
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Deuterium oxide !Synonym
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20.027508 !Molar mass [g/mol]
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276.969 !Triple point temperature [K]
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374.549 !Normal boiling point [K]
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643.847 !Critical temperature [K]
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21661.8 !Critical pressure [kPa]
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17.77555 !Critical density [mol/L]
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0.364 !Acentric factor
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1.9 !Dipole moment [Debye]; Reid, Prausnitz, & Poling, McGraw-Hill (1987)
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OTH !Default reference state
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300.0 1.0 47295.7573563077224310 167.2166252383840886 !Tref, Pref, Href, Sref (corresponds to u,s = 0 @ Ttp)
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10.0 !Version number
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???? !UN Number :UN:
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other !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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1S/H2O/h1H2/i/hD2 !Standard InChI String :InChi:
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XLYOFNOQVPJJNP-ZSJDYOACSA-N !Standard InChI Key :InChiKey:
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b43a7600 (water) !Alternative fluid for mixing rules :AltID:
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3e131610 !Hash number from InChI Key :Hash:
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!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
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! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
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! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
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! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
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! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
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! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
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! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
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! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
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! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
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! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
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! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
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! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
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! end of the fluid file is marked with @END. Anything below that is ignored.
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! compiled by E.W. Lemmon, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 07-23-98 EWL, Original version.
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! 11-06-00 EWL, Add transport equations.
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! 03-21-02 MLH, Add LJ parameters to ECS method.
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! 05-29-07 AHH, Update EOS to 2005 IAPWS Release and criticals to 1992 IAPWS Release.
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! 06-21-10 CKL, Add ancillary equations.
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! 07-23-13 EWL, Add equation of state of Herrig et al. (2013).
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! 05-15-17 EWL, Change the hard coded TC0 model to the TC7 reverse Polish notation.
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! 05-29-17 SH, Add equation of state of Herrig et al. (2017).
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! 04-03-18 SH, Add final equation of state of Herrig et al. (2018).
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for heavy water of Herrig et al. (2018).
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:TRUECRITICALPOINT: 643.847 17.77555 !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:
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Herrig, S., Thol, M., Span, R., Harvey, A.H., and Lemmon, E.W.,
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?"A Reference Equation of State for Heavy Water,"
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? to be submitted to J. Phys. Chem. Ref. Data, 2018.
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?
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?In the homogenous liquid and vapor phase, the expanded relative uncertainties
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? of densities calculated from the equation of state are mostly within 0.1 % or
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? smaller; liquid-phase densities at atmospheric pressure can be calculated with
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? an uncertainty of 0.01 %. The speed of sound in the liquid phase is described
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? with a maximum uncertainty of 0.1 %; the most accurate experimental sound speeds
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? are represented within their uncertainties ranging from 0.015 % to 0.02 %. In a
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? large part of the liquid region, the isobaric heat capacity is represented with
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? an uncertainty of 1 %. The uncertainty in vapor pressure is mostly within 0.05 %.
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? In the critical region, the uncertainties of calculated properties are in
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? most cases higher than the values given above."
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?
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!```````````````````````````````````````````````````````````````````````````````
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276.969 !Lower temperature limit [K]
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825.0 !Upper temperature limit [K]
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1200000.0 !Upper pressure limit [kPa]
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73.72 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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20.027508 !Molar mass [g/mol]
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276.969 !Triple point temperature [K]
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0.66159 !Pressure at triple point [kPa]
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55.188 !Density at triple point [mol/L]
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374.549 !Normal boiling point temperature [K]
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0.364 !Acentric factor
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643.847 21661.8 17.77555 !Tc [K], pc [kPa], rhoc [mol/L]
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643.847 17.77555 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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12 4 12 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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0.012208206 1. 4. 0. !a(i),t(i),d(i),l(i)
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2.9695687 0.6555 1. 0.
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-3.7900454 0.9369 1. 0.
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0.9410896 0.561 2. 0.
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-0.92246625 0.7017 2. 0.
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-0.013960419 1.0672 3. 0.
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-0.12520357 3.9515 1. 1.
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-5.553915 4.6 1. 2.
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-4.9300974 5.159 3. 2.
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-0.035947024 0.2 2. 1.
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-9.3617287 5.4644 2. 2.
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-0.69183515 2.366 1. 2.
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-0.04561106 3.4553 1. 2. 2. -0.6014 -0.42 1.5414 1.8663 0. 0. 0.
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-2.245133 1.415 3. 2. 2. -1.4723 -2.4318 1.3794 0.2895 0. 0. 0.
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8.6000607 1.5745 1. 2. 2. -1.5305 -1.2888 1.7385 0.5803 0. 0. 0.
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-2.4841042 3.454 3. 2. 2. -2.4297 -8.271 1.3045 0.2236 0. 0. 0.
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16.44769 3.8106 1. 2. 2. -1.3086 -0.3673 2.7242 0.6815 0. 0. 0.
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2.7039336 4.895 1. 2. 2. -1.3528 -0.9504 3.5321 0.9495 0. 0. 0.
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37.563747 1.43 2. 2. 2. -3.4456 -7.8318 2.4552 1.1158 0. 0. 0.
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-1.7760776 1.587 2. 2. 2. -1.2645 -3.3281 0.8319 0.1607 0. 0. 0.
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2.2092464 3.79 2. 2. 2. -2.5547 -7.1753 1.35 0.4144 0. 0. 0.
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5.19652 2.62 1. 2. 2. -1.2148 -0.9465 2.5617 0.9683 0. 0. 0.
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0.4210974 1.9 1. 2. 2. -18.738 -1177. 1.0491 0.9488 0. 0. 0.
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-0.3919211 4.32 1. 2. 2. -18.677 -1167. 1.0486 0.9487 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 heavy water of Herrig et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Herrig, S., Thol, M., Span, R., Harvey, A.H., and Lemmon, E.W., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.3144598 !Reducing parameters for T, Cp0
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1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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0.010633 308.0
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0.99787 1695.0
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2.1483 3949.0
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0.3549 10317.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for heavy water of Herrig et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Herrig, S., Thol, M., Span, R., Harvey, A.H., and Lemmon, E.W., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-8.670994022646008 0.0 !aj, ti for [ai*tau**ti] terms
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6.9603357845878007 1.0 !aj, ti for [ai*tau**ti] terms
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0.010633 308.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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0.99787 1695.0
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2.1483 3949.0
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0.3549 10317.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for heavy water of Hill et al. (1982).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?International Association for the Properties of Water and Steam,
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? "Revised Release on the IAPS Formulation 1984 for the Thermodynamic Properties
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? of Heavy Water Substance," 2005.
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?
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?This is an update for temperature scale (ITS-90) of the EOS of:
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?
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?Hill, P.G., MacMillan, R.D.C., and Lee, V.,
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? "A Fundamental Equation of State for Heavy Water,"
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? J. Phys. Chem. Ref. Data, 11(1):1-14, 1982.
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?
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?also reported in:
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?
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?Kestin, J. and Sengers, J.V.,
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? "New International Formulations for the Thermodynamic Properties of Light
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? and Heavy Water,"
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? J. Phys. Chem. Ref. Data, 15(1):305-321, 1986.
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?
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?The uncertainties are 0.1% in density, 0.05% in vapor pressure, and 1% in
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? heat capacities and the speed of sound.
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?
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?Use this reference state to get u,s=0 at the triple point:
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? 300.0 1.0 47320.602694539673 167.30941141671 !Tref, Pref, Href, Sref (corresponds to u,s = 0 @ Ttp)
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?
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!```````````````````````````````````````````````````````````````````````````````
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276.97 !Lower temperature limit [K]
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800.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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65.0 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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20.027508 !Molar mass [g/mol]
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276.97 !Triple point temperature [K]
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0.66103 !Pressure at triple point [kPa]
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55.198 !Density at triple point [mol/L]
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374.563 !Normal boiling point temperature [K]
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0.364 !Acentric factor
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643.847 21671.0 17.77555 !Tc [K], pc [kPa], rhoc [mol/L]
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643.847 17.875414 !Reducing parameters [K, mol/L]
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8.3143565 !Gas constant [J/mol-K]
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50 5 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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-384.820628204 0. 1. 0. 0. !a(i),t(i),d(i),l(i)
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1082.13047259 1. 1. 0. 0.
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-1107.68260635 2. 1. 0. 0.
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1646.68954246 3. 1. 0. 0.
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-1379.59852228 4. 1. 0. 0.
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598.964185629 5. 1. 0. 0.
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-100.451752702 6. 1. 0. 0.
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419.192736351 0. 2. 0. 0.
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-1072.79987867 1. 2. 0. 0.
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653.852283544 2. 2. 0. 0.
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-984.305985655 3. 2. 0. 0.
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845.444459339 4. 2. 0. 0.
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-376.79993049 5. 2. 0. 0.
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64.4512590492 6. 2. 0. 0.
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-214.911115714 0. 3. 0. 0.
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531.113962967 1. 3. 0. 0.
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-135.45422442 2. 3. 0. 0.
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202.814416558 3. 3. 0. 0.
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-178.293865031 4. 3. 0. 0.
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81.873939497 5. 3. 0. 0.
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-14.3312594493 6. 3. 0. 0.
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65.1202383207 0. 4. 0. 0.
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-171.227351208 1. 4. 0. 0.
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10.0859921516 2. 4. 0. 0.
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-14.4684680657 3. 4. 0. 0.
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12.8871134847 4. 4. 0. 0.
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-6.10605957134 5. 4. 0. 0.
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1.09663804408 6. 4. 0. 0.
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-11.5734899702 0. 5. 0. 0.
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37.4970075409 1. 5. 0. 0.
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0.897967147669 0. 6. 0. 0.
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-5.27005883203 1. 6. 0. 0.
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0.0438084681795 0. 7. 0. 0.
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0.40677208268 1. 7. 0. 0.
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-0.00965258571044 0. 8. 0. 0.
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-0.0119044600379 1. 8. 0. 0.
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382.589102341 0. 1. 1. 1.5394
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-1064.06466204 1. 1. 1. 1.5394
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1055.44952919 2. 1. 1. 1.5394
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-1575.79942855 3. 1. 1. 1.5394
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1327.03387531 4. 1. 1. 1.5394
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-579.34887987 5. 1. 1. 1.5394
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97.4163902526 6. 1. 1. 1.5394
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286.799294226 0. 2. 1. 1.5394
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-1275.43020847 1. 2. 1. 1.5394
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2758.02674911 2. 2. 1. 1.5394
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-3812.84331492 3. 2. 1. 1.5394
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2937.55152012 4. 2. 1. 1.5394
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-1178.58249946 5. 2. 1. 1.5394
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186.261198012 6. 2. 1. 1.5394
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for heavy water.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Hill, P.G., MacMillan, R.D.C., and Lee, V.,
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? "A Fundamental Equation of State for Heavy Water,"
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? J. Phys. Chem. Ref. Data, 11(1):1-14, 1982.
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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 8.3143565 !Reducing parameters for T, Cp0
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6 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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-0.00031123915 1.0
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0.0000041173363 2.0
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-0.28943955e-8 3.0
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0.63278791e-12 4.0
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3.9176485 0.0
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0.7872874 -1.0
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS0 !Pure fluid viscosity model for heavy water of IAPWS (1994).
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:DOI: 10.1063/1.555714
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:WEB: http://www.iapws.org/relguide/TransD2O-2007.pdf
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?
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?```````````````````````````````````````````````````````````````````````````````
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?International Association for the Properties of Water and Steam,
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? "Viscosity and Thermal Conductivity of Heavy Water Substance,"
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? Physical Chemistry of Aqueous Systems: Proceedings of the 12th
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? International Conference on the Properties of Water and Steam,
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? Orlando, Florida, September 11-16, A107-A138, 1994.
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?
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?The uncertainty in viscosity is 1% in the liquid below 474 K, 2% in the liquid
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? at higher temperatures and in the vapor, and 5% between 623 and 723 K at
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? pressures between 16 and 50 MPa.
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?
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!```````````````````````````````````````````````````````````````````````````````
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276.969 !Lower temperature limit [K]
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825.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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65.0 !Maximum density [mol/L]
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H2O !Pointer to hardcoded thermal conductivity model
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0 0 4 26 0 0 0 0 !Number of terms for various pieces
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643.89 17.87542 55.2651 !Reducing parameters for T, rho, eta
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1.0 0. 0. 0. 0
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0.940695 1. 0. 0. 0
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0.578377 2. 0. 0. 0
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-0.202044 3. 0. 0. 0
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0.4864192 0. 0. 0. 0
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-0.2448372 1. 0. 0. 0
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-0.8702035 2. 0. 0. 0
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0.8716056 3. 0. 0. 0
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-1.051126 4. 0. 0. 0
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0.3458395 5. 0. 0. 0
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0.3509007 0. 1. 0. 0
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1.315436 1. 1. 0. 0
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1.297752 2. 1. 0. 0
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1.353448 3. 1. 0. 0
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-0.2847572 0. 2. 0. 0
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-1.037026 1. 2. 0. 0
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-1.287846 2. 2. 0. 0
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-0.02148229 5. 2. 0. 0
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0.07013759 0. 3. 0. 0
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0.4660127 1. 3. 0. 0
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0.2292075 2. 3. 0. 0
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-0.4857462 3. 3. 0. 0
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0.0164122 0. 4. 0. 0
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-0.02884911 1. 4. 0. 0
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0.1607171 3. 4. 0. 0
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-0.009603846 5. 4. 0. 0
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-0.01163815 0. 5. 0. 0
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-0.008239587 1. 5. 0. 0
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0.004559914 5. 5. 0. 0
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-0.003886659 3. 6. 0. 0
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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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TC7 !Pure fluid thermal conductivity model for heavy water of IAPWS (1994).
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:DOI: 10.1063/1.555714
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:WEB: http://www.iapws.org/relguide/TransD2O-2007.pdf
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?
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?```````````````````````````````````````````````````````````````````````````````
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?International Association for the Properties of Water and Steam,
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? "Viscosity and Thermal Conductivity of Heavy Water Substance,"
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? Physical Chemistry of Aqueous Systems: Proceedings of the 12th
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? International Conference on the Properties of Water and Steam,
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? Orlando, Florida, September 11-16, A107-A138, 1994.
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?
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?The uncertainty in viscosity is 2% in the liquid below 623 K and in the vapor
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? below 573 K, 5% elsewhere in the liquid and vapor, and 10% in the critical
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? region (623 to 723 K and 21.66 to 50 MPa).
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?
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!```````````````````````````````````````````````````````````````````````````````
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276.969 !Lower temperature limit [K]
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825.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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65.0 !Maximum density [mol/L]
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!
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!Dilute gas
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$DG RED SUM:5
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!
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!Background function
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$RF RED SUM:4 SUMEX:1 SIGN 1 + CNST * +
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!
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!Critical enhancement
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$CE RED TR TR CNST - ABS CNST + / =TAU
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$CE SUMEX:2 =V1 !These are f1, f2, f3, and f4 in the old hardcoded routine.
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|
$CE DR 1 - SQR CNST * EXP DR CNST - SQR CNST * EXP CNST * + =V2
|
|
$CE TAU 1 - 60 * 20 + EXP 1 + =V3
|
|
$CE TAU 1 - 100 * 15 + EXP 1 + =V4
|
|
$CE CNST V1 V2 * * 1 V2 SQR CNST V1 SQR SQR * V3 / CNST V2 * V4 / + * + * !Equal to tcxc
|
|
$CE CNST V1 CNST POWR * DR CNST / 10 POWR SIGN EXP SIGN 1 + * + !Equal to tcxl
|
|
!
|
|
!Coefficients
|
|
$CF
|
|
0.000742128 643.89 17.87542 0. 0 !Reducing parameters for eta, T, and D
|
|
1.0 0. 0. 0. 0
|
|
37.3223 1. 0. 0. 0
|
|
22.5485 2. 0. 0. 0
|
|
13.0465 3. 0. 0. 0
|
|
-2.60735 5. 0. 0. 0
|
|
0.000742128 643.89 17.87542 0. 0 !Reducing parameters for eta, T, and D
|
|
483.656 0. 1. 0. 0
|
|
-191.039 0. 2. 0. 0
|
|
73.0358 0. 3. 0. 0
|
|
-7.57467 0. 4. 0. 0
|
|
-2.506 0. 1. 0. 0
|
|
-167.310 0. 0. 0. 0
|
|
0.000742128 643.89 17.87542 0. 0 !Reducing parameters for eta, T, and D
|
|
1.1 0. 0. 0. 0
|
|
1.1 0. 0. 0. 0
|
|
0.144847 1. 0. 0. 0
|
|
-5.64493 2. 0. 0. 0
|
|
-2.8 0. 0. 0. 0
|
|
0.125698 0. 0. 0. 0
|
|
-17.943 0. 0. 0. 0
|
|
-0.080738543 0. 0. 0. 0
|
|
35429.6 0. 0. 0. 0
|
|
0.5e+10 0. 0. 0. 0
|
|
3.5 0. 0. 0. 0
|
|
-741.112 0. 0. 0. 0
|
|
1.2 0. 0. 0. 0
|
|
2.5 0. 0. 0. 0
|
|
NUL !Pointer to critical enhancement auxiliary function
|
|
|
|
|
|
|
|
|
|
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
|
|
|
@TRN !---ECS Transport---
|
|
ECS !Extended Corresponding States model (R134a reference); predictive mode for heavy water.
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?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 were taken from Reid, R.C., Prausnitz, J.M., and Poling, B.E., "The Properties of Gases and Liquids," 4th edition, New York, McGraw-Hill Book Company, 1987.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
276.97 !Lower temperature limit [K]
|
|
800.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
65.0 !Maximum density [mol/L]
|
|
FEQ R134A.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)
|
|
0.2641 !Lennard-Jones coefficient sigma [nm] for ECS method
|
|
809.1 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|
|
1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
|
|
0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
|
|
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
|
|
NUL !Pointer to critical enhancement auxiliary function
|
|
|
|
|
|
|
|
|
|
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
|
|
|
#STN !---Surface tension---
|
|
ST1 !Surface tension model for heavy water from IAPWS.
|
|
:DOI:
|
|
:WEB: http://www.iapws.org/relguide/surfd2o.pdf
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?International Association for the Properties of Water and Steam,
|
|
? "IAPWS Release on Surface Tension of Heavy Water Substance,"
|
|
? Physical Chemistry of Aqueous Systems: Proceedings of the 12th
|
|
? International Conference on the Properties of Water and Steam,
|
|
? Orlando, Florida, September 11-16, A103-A106, 1994.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
2 !Number of terms in surface tension model
|
|
643.847 !Critical temperature used in fit (dummy)
|
|
0.238 1.25 !Sigma0 and n
|
|
-0.152082 2.25
|
|
|
|
|
|
#MLT !---Melting line---
|
|
MLH !Melting line model for heavy water of Herrig et al. (2018).
|
|
:DOI:
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Herrig, S., Thol, M., Span, R., Harvey, A.H., and Lemmon, E.W., 2018.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
254.415 !Lower temperature limit [K]
|
|
10000. !Upper temperature limit [K]
|
|
0. !
|
|
0. !
|
|
1.0 1.0 !Reducing temperature and pressure
|
|
0 0 0 0 0 0 !Number of terms in melting line equation
|
|
|
|
|
|
#SBL !---Sublimation line---
|
|
SB2 !Sublimation line model for heavy water of Herrig et al. (2018).
|
|
:DOI:
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Herrig, S., Thol, M., Span, R., Harvey, A.H., and Lemmon, E.W., 2018.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
276.969 !Upper temperature limit [K]
|
|
0. !
|
|
0. !
|
|
276.969 0.66159 !Reducing temperature and pressure
|
|
4 0 0 0 0 0 !Number of terms in sublimation line equation
|
|
-13.14226 0. !Coefficients and exponents
|
|
13.14226 -1.73
|
|
32.12969 0.
|
|
-32.12969 -1.42
|
|
|
|
|
|
#PS !---Vapor pressure---
|
|
PS5 !Vapor pressure equation for heavy water of Herrig et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Herrig, S., Thol, M., Span, R., Harvey, A.H., and Lemmon, E.W., 2018.
|
|
?
|
|
?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. !
|
|
643.847 21661.8 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
-7.9444 1.0 !Coefficients and exponents
|
|
1.9434 1.5
|
|
-2.4353 2.44
|
|
-3.42 5.3
|
|
35.5 14.0
|
|
-302.0 20.0
|
|
|
|
|
|
#DL !---Saturated liquid density---
|
|
DL1 !Saturated liquid density equation for heavy water of Herrig et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Herrig, S., Thol, M., Span, R., Harvey, A.H., and Lemmon, E.W., 2018.
|
|
?
|
|
?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. !
|
|
643.847 17.77555 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
1.6620 0.29
|
|
9.0113 1.0
|
|
-15.421 1.3
|
|
11.576 1.77
|
|
-5.1694 2.5
|
|
-236.24 16.0
|
|
|
|
#DV !---Saturated vapor density---
|
|
DV3 !Saturated vapor density equation for heavy water of Herrig et al. (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Herrig, S., Thol, M., Span, R., Harvey, A.H., and Lemmon, E.W., 2018.
|
|
?
|
|
?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. !
|
|
643.847 17.77555 !Reducing parameters
|
|
6 0 0 0 0 0 !Number of terms in equation
|
|
-2.4714 0.33 !Coefficients and exponents
|
|
-26.6744 1.29
|
|
53.108 1.68
|
|
-48.015 2.09
|
|
-57.623 6.1
|
|
-371.72 17.0
|
|
|
|
|
|
@END
|
|
c 1 2 3 4 5 6 7 8
|
|
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
|
|
|
|
|
@TCX !Thermal conductivity model specification
|
|
TC0 pure fluid thermal conductivity model of IAPWS (1994).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?International Association for the Properties of Water and Steam,
|
|
? "Viscosity and Thermal Conductivity of Heavy Water Substance,"
|
|
? Physical Chemistry of Aqueous Systems: Proceedings of the 12th
|
|
? International Conference on the Properties of Water and Steam,
|
|
? Orlando, Florida, September 11-16, A107-A138, 1994.
|
|
?
|
|
?The uncertainty in viscosity is 2% in the liquid below 623 K and in the vapor
|
|
? below 573 K, 5% elsewhere in the liquid and vapor, and 10% in the critical
|
|
? region (623 to 723 K and 21.66 to 50 MPa).
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
276.97 !Lower temperature limit [K]
|
|
800.0 !Upper temperature limit [K]
|
|
100000.0 !Upper pressure limit [kPa]
|
|
65.0 !Maximum density [mol/L]
|
|
D2O !Pointer to hardcoded thermal conductivity model
|
|
5 0 4 11 0 0 0 0 !Number of terms for various pieces
|
|
643.89 17.87542 0.000742128 0. 0 !Reducing parameters for T, rho, eta
|
|
1.0 0. 0. 0. 0
|
|
37.3223 1. 0. 0. 0
|
|
22.5485 2. 0. 0. 0
|
|
13.0465 3. 0. 0. 0
|
|
-2.60735 5. 0. 0. 0
|
|
483.656 1. 0. 0. 0
|
|
-191.039 2. 0. 0. 0
|
|
73.0358 3. 0. 0. 0
|
|
-7.57467 4. 0. 0. 0
|
|
-2.506 0. 0. 0. 0
|
|
-167.31 0. 0. 0. 0
|
|
35429.6 0. 0. 0. 0
|
|
0.5e+10 0. 0. 0. 0
|
|
0.144847 0. 0. 0. 0
|
|
-5.64493 0. 0. 0. 0
|
|
-2.8 0. 0. 0. 0
|
|
-0.080738543 0. 0. 0. 0
|
|
-17.943 0. 0. 0. 0
|
|
0.125698 0. 0. 0. 0
|
|
-741.112 0. 0. 0. 0
|
|
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|