915 lines
46 KiB
Plaintext
915 lines
46 KiB
Plaintext
Ammonia !Short name
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7664-41-7 !CAS number
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Ammonia !Full name
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NH3 !Chemical formula {NH3}
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R-717 !Synonym
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17.03052 !Molar mass [g/mol]
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195.49 !Triple point temperature [K]
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239.832 !Normal boiling point [K]
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405.56 !Critical temperature [K]
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11363.4 !Critical pressure [kPa]
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13.696 !Critical density [mol/L]
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0.256 !Acentric factor
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1.47 !Dipole moment [Debye]; value from REFPROP v5.0
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OTH !Default reference state
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300.0 1.0 28989.80862255338 159.539895883743234 !Tref, Pref, Href, Sref (corresponds to u,s = 0 @ Ttp)
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10.0 !Version number
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1005 !UN Number :UN:
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other !Family :Family:
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382.81 !Heating value (upper) [kJ/mol] :Heat:
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320. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL:
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B2L !Safety Group (ASHRAE Standard 34, 2010) :Safety:
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1S/H3N/h1H3 !Standard InChI String :InChi:
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QGZKDVFQNNGYKY-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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e9847540 !Hash number from InChI Key :Hash:
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!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
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! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
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! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
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! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
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! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
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! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
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! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
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! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
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! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
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! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
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! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
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! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
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! end of the fluid file is marked with @END. Anything below that is ignored.
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! compiled by M. McLinden, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 03-06-96 MM, Original version.
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! 06-10-10 CKL, Add ancillary equations.
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! 06-12-12 EWL, Update surface tension equation, old one was off by 35% at lowest temperature.
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 02-09-17 KG, Add new equation of state of Kehui Gao et al. (2018).
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! 05-15-17 EWL, Change the hard coded NH3 model to the TK7 reverse Polish notation.
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! 01-28-18 KG, Add final equation of state of Kehui Gao et al. (2018).
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! 02-28-18 IHB, Add sublimation line model.
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! 04-02-18 EWL, Change coefficients slightly so that dP/dD is positive at Tc and Dc.
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! 04-08-18 MLH, Add viscosity model of Monogenidou et al. (2018)
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! 04-15-18 MLH, Add thermal conductivity model of Monogenidou 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 ammonia of Gao et al. (2018).
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:TRUECRITICALPOINT: 405.56 13.696 !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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?Gao, K., Wu, J., Bell, I.H., and Lemmon, E.W.,
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? "Thermodynamic Properties of Ammonia for Temperatures from the Melting Line
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? to 725 K and Pressures to 1000 MPa,"
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? to be submitted to J. Phys. Chem. Ref. Data, 2018.
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?
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?The uncertainties in the vapor phase in density are 0.1% at temperatures
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? between 410 K and 580 K with pressures below 100 MPa, and 0.05% at
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? temperatures between 220 K and 400 K with pressures below 10 MPa. In the
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? liquid phase, the uncertainty in density is 0.05% at temperatures between
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? 190 K and 400 K with pressures below 200 MPa. The uncertainty in density
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? is 1.5% at pressures between 200 MPa and 1000 MPa. In the critical region,
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? the uncertainty in density is estimated to be 1%.
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?
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?The uncertainty in vapor pressure is 0.05% at temperatures between 200 K and
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? 404 K. The uncertainty in saturated liquid density is 0.1% at temperatures
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? between 195 K and 400 K. The uncertainty in saturated vapor density is 2% at
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? temperatures between 220 K and 395 K. The uncertainties in speed of sound are
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? 0.1% in the vapor phase at temperatures between 300 K and 375 K with
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? pressures below 3.5 MPa, and 1% in the liquid phase at temperatures between
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? 195 K and 410 K with pressures below 125 MPa. The uncertainties in isobaric
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? heat capacity are 0.5% in the vapor phase at temperatures between 255 K and
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? 425 K, and 5% in the liquid phase at temperatures between 330 K and 400 K
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? with pressures below 11 MPa. The uncertainty in saturation heat capacity is
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? 0.5% at temperatures between 200 K and 320 K.
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?
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!```````````````````````````````````````````````````````````````````````````````
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195.49 !Lower temperature limit [K]
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725.0 !Upper temperature limit [K]
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1000000.0 !Upper pressure limit [kPa]
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52.43 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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17.03052 !Molar mass [g/mol]
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195.49 !Triple point temperature [K]
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6.05438 !Pressure at triple point [kPa]
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43.090 !Density at triple point [mol/L]
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239.832 !Normal boiling point temperature [K]
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0.256 !Acentric factor
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405.56 11363.4 13.696 !Tc [K], pc [kPa], rhoc [mol/L]
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405.56 13.696 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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8 4 10 12 2 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.006132232 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.7395866 0.382 1. 0.
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-2.2261792 1.0 1. 0.
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-0.30127553 1.0 2. 0.
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0.08967023 0.677 3. 0.
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-0.076387037 2.915 3. 2.
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-0.84063963 3.51 2. 2.
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-0.27026327 1.063 3. 1.
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6.212578 0.655 1. 2. 2. -0.42776 -1.708 1.036 -0.0726 0. 0. 0.
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-5.7844357 1.3 1. 2. 2. -0.6424 -1.4865 1.2777 -0.1274 0. 0. 0.
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2.4817542 3.1 1. 2. 2. -0.8175 -2.0915 1.083 0.7527 0. 0. 0.
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-2.3739168 1.4395 2. 2. 2. -0.7995 -2.43 1.2906 0.57 0. 0. 0.
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0.01493697 1.623 2. 2. 2. -0.91 -0.488 0.928 2.2 0. 0. 0.
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-3.7749264 0.643 1. 2. 2. -0.3574 -1.1 0.934 -0.243 0. 0. 0.
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0.0006254348 1.13 3. 2. 2. -1.21 -0.85 0.919 2.96 0. 0. 0.
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-0.000017359 4.5 3. 2. 2. -4.14 -1.14 1.852 3.02 0. 0. 0.
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-0.13462033 1.0 1. 2. 2. -22.56 -945.64 1.05897 0.9574 0. 0. 0.
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0.07749072839 4.0 1. 2. 2. -22.68 -993.85 1.05277 0.9576 0. 0. 0.
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-1.6909858 4.3315 1. 2. 2. -2.8452 0.3696 1.108 0.4478 1.244 0. 1.
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0.93739074 4.015 1. 2. 2. -2.8342 0.2962 1.313 0.44689 0.6826 0. 1.
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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 ammonia of Gao et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., Wu, J., Bell, I.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 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.
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2.224 1646.
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3.148 3965.
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0.9579 7231.
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for ammonia of Gao et al. (2018).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Gao, K., Wu, J., Bell, I.H., and Lemmon, E.W., 2018.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 3 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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-6.59406093943886 0.0 !aj, ti for [ai*tau**ti] terms
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5.60101151987913 1.0 !aj, ti for [ai*tau**ti] terms
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2.224 1646.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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3.148 3965.0
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0.9579 7231.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for ammonia of Tillner-Roth et al. (1993).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Tillner-Roth, R., Harms-Watzenberg, F., and Baehr, H.D.,
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? "Eine neue Fundamentalgleichung fuer Ammoniak,"
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? DKV-Tagungsbericht, 20:167-181, 1993.
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?
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?see also:
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? Baehr, H.D. and Tillner-Roth, R.
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? Thermodynamic Properties of Environmentally Acceptable Refrigerants;
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? Equations of State and Tables for Ammonia, R22, R134a, R152a, and R123,
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? Springer-Verlag, Berlin, 1995.
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?
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?The uncertainties of the equation of state are 0.2% in density, 2% in heat
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? capacity, and 2% in the speed of sound, except in the critical region.
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? The uncertainty in vapor pressure is 0.2%.
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?
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?The original paper has a typographical error that shows a positive coefficient
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? instead of negative. The correct value should be -0.3497111e-1.
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?
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!```````````````````````````````````````````````````````````````````````````````
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195.495 !Lower temperature limit [K]
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700.0 !Upper temperature limit [K]
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1000000.0 !Upper pressure limit [kPa]
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52.915 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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17.03026 !Molar mass [g/mol]
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195.495 !Triple point temperature [K]
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6.091 !Pressure at triple point [kPa]
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43.035 !Density at triple point [mol/L]
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239.823 !Normal boiling point temperature [K]
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0.25601 !Acentric factor
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405.40 11333.0 13.2117771543124 !Tc [K], pc [kPa], rhoc [mol/L]
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405.40 13.2117771543124 !Reducing parameters [K, mol/L]
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8.314471 !Gas constant [J/mol-K]
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21 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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-1.858814 1.5 1. 0. !a(i),t(i),d(i),l(i)
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0.04554431 -0.5 2. 0.
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0.7238548 0.5 1. 0.
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0.0122947 1.0 4. 0.
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0.2141882e-10 3.0 15. 0.
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-0.0143002 0.0 3. 1.
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0.3441324 3.0 3. 1.
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-0.2873571 4.0 1. 1.
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0.2352589e-4 4.0 8. 1.
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-0.03497111 5.0 2. 1.
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0.001831117 5.0 8. 2.
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0.02397852 3.0 1. 2.
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-0.04085375 6.0 1. 2.
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0.2379275 8.0 2. 2.
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-0.03548972 8.0 3. 2.
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-0.1823729 10.0 2. 2.
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0.02281556 10.0 4. 2.
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-0.006663444 5.0 3. 3.
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-0.008847486 7.5 1. 3.
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0.002272635 15.0 2. 3.
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-0.0005588655 30.0 4. 3.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for ammonia.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Tillner-Roth, R., Harms-Watzenberg, F., and Baehr, H.D.,
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? "Eine neue Fundamentalgleichung fuer Ammoniak,"
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? DKV-Tagungsbericht, 20:167-181, 1993.
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?
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?Note: Tillner-Roth et al. give a Helmholtz form for the ideal gas term; it
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? has been converted to a Cp0 form by the transform:
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?
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?Cp0/R = (2/9)*a3*Tr**(-1/3) - (15/4)*a4*Tr**(3/2) - (77/16)*a5*Tr**(7/4)
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? where the ai are the original coefficients given by T-R and Tr = T/Tc
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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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405.4 8.314471 !Reducing parameters for T, Cp0
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3 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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2.54985265683 -0.333333333333
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4.86079045595 1.5
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-2.74637680305 1.75
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@AUX !---Auxiliary function for PH0
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PH1 !Ideal gas Helmholtz form for ammonia.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Tillner-Roth, R., Harms-Watzenberg, F., and Baehr, H.D.,
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? "Eine neue Fundamentalgleichung fuer Ammoniak,"
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? DKV-Tagungsbericht, 20(2):167-181, 1993.
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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 5 0 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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-1.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-15.81502 0.0 !aj, ti for [ai*tau**ti] terms
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4.255726 1.0
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11.47434 0.333333333333
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-1.296211 -1.5
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0.5706757 -1.75
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@EOS !---Equation of state---
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FE2 !Helmholtz equation of state for ammonia of Ahrendts and Baehr (1979).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Ahrendts, J. and Baehr, H.D.
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? "The Thermodynamic Properties of Ammonia,"
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? VDI-Forsch., Number 596, 1979.
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?
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!```````````````````````````````````````````````````````````````````````````````
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195.486 !Lower temperature limit [K]
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600.0 !Upper temperature limit [K]
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400000.0 !Upper pressure limit [kPa]
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44.0 !Maximum density [mol/L]
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CP2 !Pointer to Cp0 model
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17.03026 !Molar mass [g/mol]
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195.486 !Triple point temperature [K]
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6.0339 !Pressure at triple point [kPa]
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43.137 !Density at triple point [mol/L]
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239.81 !Normal boiling point temperature [K]
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0.25601 !Acentric factor
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405.4 11333.0 13.212 !Tc [K], pc [kPa], rhoc [mol/L]
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405.4 13.212 !Reducing parameters [K, mol/L]
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8.31434 !Gas constant [J/mol-K]
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36 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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0.911447599671 1. 1. 0. 0. !a(i),t(i),d(i),l(i)
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-3.82129415537 2. 1. 0. 0.
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1.47730246416 3. 1. 0. 0.
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0.0580205129871 6. 1. 0. 0.
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-0.000574413226616 9. 1. 0. 0.
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0.153018094697 0. 2. 0. 0.
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-0.256626062036 4. 2. 0. 0.
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0.445448838055 2. 3. 0. 0.
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-0.1533210545 1. 4. 0. 0.
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0.0527996725202 1. 5. 0. 0.
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-0.0484726581121 2. 5. 0. 0.
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0.0024657950333 3. 7. 0. 0.
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-0.000107999941003 3. 9. 0. 0.
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-0.21529867301e-4 5. 9. 0. 0.
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-0.30693889379e-4 1. 10. 0. 0.
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0.839163613582e-5 1. 11. 0. 0.
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0.814833533876e-6 5. 12. 0. 0.
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-0.314753664228e-7 5. 14. 0. 0.
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0.642978802435 2. 1. 2. 0.86065403
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-1.39510669941 5. 1. 2. 0.86065403
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0.956135683432 6. 1. 2. 0.86065403
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-0.272787386366 7. 1. 2. 0.86065403
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-1.89305337334 5. 2. 2. 0.86065403
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4.79043603913 6. 2. 2. 0.86065403
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-2.4594501698 7. 2. 2. 0.86065403
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-1.21107723958 3. 3. 2. 0.86065403
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5.0055227117 4. 3. 2. 0.86065403
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-6.15476024667 5. 3. 2. 0.86065403
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2.10772481535 6. 3. 2. 0.86065403
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0.298003513465 6. 4. 2. 0.86065403
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-0.152506723279 7. 4. 2. 0.86065403
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0.00115565883925 1. 0. 2. 506.2670781840292
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-0.000911244657201 2. 0. 2. 506.2670781840292
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0.010058721 0. 0. 2. 50626.70781840292
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-0.0120983155888 1. 0. 2. 50626.70781840292
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0.00382694351151 2. 0. 2. 50626.70781840292
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@AUX !---Auxiliary function for Cp0
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CP2 !Ideal gas heat capacity function for ammonia.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Ahrendts, J. and Baehr, H.D.
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? "The Thermodynamic Properties of Ammonia,"
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? VDI-Forsch., Number 596, 1979. pp 1-46
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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 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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5.111814 0.0
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-42.96665 -1.0
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-0.010243792 1.0
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0.000038750775 2.0
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-0.46406097e-7 3.0
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2.0268561e-11 4.0
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@EOS !---Equation of state---
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FES !Helmholtz equation of state for ammonia of Span and Wagner (2003).
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?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Span, R. and Wagner, W.
|
||
? "Equations of State for Technical Applications. III. Results for Polar Fluids,"
|
||
? Int. J. Thermophys., 24(1):111-162, 2003. doi: 10.1023/A:1022362231796
|
||
?
|
||
?The uncertainties of the equation of state are approximately 0.2% (to
|
||
? 0.5% at high pressures) in density, 1% (in the vapor phase) to 2% in
|
||
? heat capacity, 1% (in the vapor phase) to 2% in the speed of sound, and
|
||
? 0.2% in vapor pressure, except in the critical region.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
195.495 !Lower temperature limit [K]
|
||
600.0 !Upper temperature limit [K]
|
||
100000.0 !Upper pressure limit [kPa]
|
||
52.915 !Maximum density [mol/L]
|
||
CPP !Pointer to Cp0 model
|
||
17.031 !Molar mass [g/mol]
|
||
195.495 !Triple point temperature [K]
|
||
6.0531 !Pressure at triple point [kPa]
|
||
43.158 !Density at triple point [mol/L]
|
||
239.81 !Normal boiling point temperature [K]
|
||
0.256 !Acentric factor
|
||
405.4 11339.3 13.211203 !Tc [K], pc [kPa], rhoc [mol/L]
|
||
405.4 13.211203 !Reducing parameters [K, mol/L]
|
||
8.31451 !Gas constant [J/mol-K]
|
||
12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
|
||
0.7302272 0.25 1. 0. !a(i),t(i),d(i),l(i)
|
||
-1.1879116 1.25 1. 0.
|
||
-0.68319136 1.5 1. 0.
|
||
0.040028683 0.25 3. 0.
|
||
0.90801215e-4 0.875 7. 0.
|
||
-0.056216175 2.375 1. 1.
|
||
0.44935601 2.0 2. 1.
|
||
0.029897121 2.125 5. 1.
|
||
-0.18181684 3.5 1. 2.
|
||
-0.09841666 6.5 1. 2.
|
||
-0.055083744 4.75 4. 2.
|
||
-0.0088983219 12.5 2. 3.
|
||
|
||
|
||
|
||
|
||
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
||
|
||
#ETA !---Viscosity---
|
||
VS1 !Pure fluid viscosity model for ammonia of Monogenidou et al. (2018)
|
||
:DOI:
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Monogenidou, S.A., Assael, M.J., and Huber, M.L.
|
||
? "Reference Correlation of the Viscosity of Ammonia from the Triple Point to 700 K and up to 50 MPa,"
|
||
? accepted for publication in J. Phys. Chem. Ref. Data, 2018.
|
||
?
|
||
?The estimated uncertainty for pressures up to 50 MPa is 4%. The equation may be used up to 100 MPa
|
||
? but the uncertainty will be larger, especially at lower temperatures.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
195.49 !Lower temperature limit [K]
|
||
725.0 !Upper temperature limit [K]
|
||
100000.0 !Upper pressure limit [kPa]
|
||
52.43 !Maximum density [mol/L]
|
||
1 !Number of terms associated with dilute-gas function
|
||
CI1 !Pointer to reduced effective collision cross-section model
|
||
0.2957 !Lennard-Jones coefficient sigma [nm]
|
||
386.0 !Lennard-Jones coefficient epsilon/kappa [K]
|
||
1.0 1.0 !Reducing parameters for T, eta
|
||
0.0881362 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term]
|
||
9 !Number of terms for initial density dependence
|
||
386.0 0.015570573 !Reducing parameters for T (=eps/k), etaB2 (= 0.6022137*sigma**3)
|
||
-19.572881 0.0 !Coefficient, power in T* = T/(eps/k)
|
||
219.73999 -0.25
|
||
-1015.3226 -0.5
|
||
2471.0125 -0.75
|
||
-3375.1717 -1.0
|
||
2491.6597 -1.25
|
||
-787.26086 -1.5
|
||
14.085455 -2.5
|
||
-0.34664158 -5.50
|
||
0 5 0 0 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
|
||
405.56 13.696 1.0 !Reducing parameters for T, rho, eta (correlation in terms of uPa-s)
|
||
0.0393308 0.5 0.6666666667 0. 0 ! p1
|
||
16.724735 0.5 1.6666666667 0. 0 ! p2
|
||
1.1975934 0.5 4.6666666667 0. 0 ! p3
|
||
0.0016995 -3.5 8.6666666667 0. 0 ! p4
|
||
-4.2399794 1.5 2.6666666667 0. 0 ! p5
|
||
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
||
|
||
|
||
#AUX !---Auxiliary function for the collision integral
|
||
CI1 !Reduced effective collision cross-section model (empirical form in log(T*)) for ammonia.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Monogenidou, S., Assael, M.J., and Huber, M.L., 2018.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
5 !Number of terms
|
||
0.39175 0 !Coefficient, power of Tstar
|
||
-0.59918 1
|
||
-0.00022 2
|
||
0.19871 3
|
||
-0.06942 4
|
||
|
||
|
||
|
||
|
||
================================================================================
|
||
|
||
#TCX !---Thermal conductivity---
|
||
TC1 !Pure fluid thermal conductivity model for ammonia of Monogenidou et al. (2018).
|
||
:DOI:
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Monogenidou, S.A., Assael, M.J., and Huber, M.L.,
|
||
? "Reference Correlations for Thermal Conductivity of Ammonia from the Triple Point
|
||
? to 680 K and up to 80 MPa,"
|
||
? accepted for publication in J. Phys. Chem. Ref. Data, 2018.
|
||
?
|
||
?The estimated uncertainty for pressures up to 80 MPa is 6.8%. The equation may be used up to 100 MPa
|
||
? but the uncertainty will be larger, and also larger near the critical point.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
195.49 !Lower temperature limit [K]
|
||
725.0 !Upper temperature limit [K]
|
||
100000.0 !Upper pressure limit [kPa]
|
||
52.43 !Maximum density [mol/L]
|
||
5 4 !# terms for dilute gas function: numerator, denominator
|
||
405.56 0.001 !Reducing parameters for T, tcx
|
||
86.9294 0.0 !Coefficient, power in T
|
||
-170.5502 1.0
|
||
608.0287 2.0
|
||
-100.9764 3.0
|
||
85.1986 4.0
|
||
4.68994 0.0
|
||
9.21307 1.0
|
||
-1.53637 2.0
|
||
1.00000 3.0
|
||
10 0 !# terms for background gas function: numerator, denominator
|
||
405.56 13.696 1. !Reducing parameters for T, rho, tcx
|
||
0.1034320 0. 1. 0. !Coefficient, powers of T, rho, exp(rho)
|
||
-0.1125970 0. 2. 0.
|
||
0.2333010 0. 3. 0.
|
||
-0.1125360 0. 4. 0.
|
||
0.0141129 0. 5. 0.
|
||
-0.0283976 1. 1. 0.
|
||
0.0482520 1. 2. 0.
|
||
-0.0644124 1. 3. 0.
|
||
0.00529376 1. 4. 0.
|
||
0.00891203 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 ammonia of Monogenidou et al. (2018).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Monogenidou, S.A., Assael, M.J., and Huber, M.L., 2018.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
9 0 0 0 !# terms: terms, spare, spare, spare
|
||
1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
|
||
0.63 !Nu (universal exponent)
|
||
1.239 !Gamma (universal exponent)
|
||
1.02 !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)
|
||
0.14e-9 !Xi0 (amplitude) [m]
|
||
0.053 !Gam0 (amplitude) [-]
|
||
0.4e-9 !Qd_inverse (modified effective cutoff parameter) [m]
|
||
608.34 !Tref (reference temperature) [K]
|
||
|
||
|
||
|
||
|
||
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||
|
||
@TRN !---ECS Transport---
|
||
ECS !Extended Corresponding States model (R134a reference); fitted to data for ammonia.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Klein, S.A., McLinden, M.O., and Laesecke, A., "An Improved Extended Corresponding States Method for Estimation of Viscosity of Pure Refrigerants and Mixtures," Int. J. Refrigeration, 20(3):208-217, 1997. doi: 10.1016/S0140-7007(96)00073-4.
|
||
?McLinden, M.O., Klein, S.A., and Perkins, R.A., "An Extended Corresponding States Model for the Thermal Conductivity of Refrigerants and Refrigerant Mixtures," Int. J. Refrigeration, 23(1):43-63, 2000. doi: 10.1016/S0140-7007(99)00024-9
|
||
?
|
||
?THERMAL CONDUCTIVITY
|
||
? The ECS parameters for thermal conductivity were based on the data of:
|
||
? Clifford, A.A. and Tufeu, R., "Thermal conductivity of gaseous and liquid ammonia," Journal of Heat Transfer, 110(4a):992-995, 1988. doi: 10.1115/1.3250604
|
||
? Golubev, I.F. and Sokolova, V.P., "The thermal conductivity of ammonia at various temperatures and pressures," Thermal Engineering, 11:78-82, 1964.
|
||
? Needham, D.P. and Ziebland, H. "The thermal conductivity of liquid and gaseous ammonia and its anomalous behaviour in the vicinity of the critical point," International Journal of Heat and Mass Transfer, 8(11):1387-1414, 1965. doi: 10.1016/0017-9310(65)90129-8
|
||
? Richter, G.N. and Sage, B.H., "Thermal conductivity of fluids: Ammonia," J. Chem. Eng. Data, 9(1):75-78, 1964. doi: 10.1021/je60020a022
|
||
? Tufeu, R., Ivanov, D.Y., Garrabos, Y., and Le Neindre, B., "Thermal conductivity of ammonia in a large temperature and pressure range including the critical region," Ber. Bunsenges. Phys. Chem., 88(4):422-427, 1984. doi: 10.1002/bbpc.19840880421
|
||
? von Franck, E.U., "Zur Temperaturabhangigkeit der Warmeeleitfahigkeit einiger Gase," Z. Electrochemie, 55(7):636-643, 1951. doi: 10.1002/bbpc.19510550711
|
||
? Average absolute deviations of the fit from the experimental data are:
|
||
? Clifford: 3.16%; Golubev: 4.52%; Needham: 4.25%; Richter: 4.81%;
|
||
? Tufeu: 5.19%; von Franck: 1.85%; Overall: 4.50%
|
||
?
|
||
?The Lennard-Jones parameters were taken from Fenghour, A., Wakeham, W.A., Vesovic, V., Watson, J.T.R., Millat, J., and Vogel, E., "The viscosity of ammonia," J. Phys. Chem. Ref. Data, 24:1649-1667, 1995.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
195.495 !Lower temperature limit [K]
|
||
550.0 !Upper temperature limit [K]
|
||
70000.0 !Upper pressure limit [kPa]
|
||
52.915 !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)
|
||
0.2957 !Lennard-Jones coefficient sigma [nm] for ECS method
|
||
386.0 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
|
||
2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
|
||
-1.2172e-4 0. 0. 0. !Coefficient, power of T, spare1, spare2 fitted rho/rho_c = 0 - 0.01
|
||
1.2818e-6 1. 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
|
||
3 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
|
||
1.4312 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
-0.23264 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
0.032521 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
|
||
NUL !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
|
||
|
||
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
||
|
||
#STN !---Surface tension---
|
||
ST1 !Surface tension model for ammonia 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. !
|
||
2 !Number of terms in surface tension model
|
||
405.4 !Critical temperature used in fit (dummy)
|
||
0.1028 1.211 !Sigma0 and n
|
||
-0.09453 5.585
|
||
|
||
|
||
#MLT !---Melting line---
|
||
ML1 !Melting line model for ammonia of Haar and Gallagher (1978).
|
||
:DOI: 10.1063/1.555579
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Haar, L. and Gallagher, J.S.,
|
||
? "Thermodynamic Properties of Ammonia,"
|
||
? J. Phys. Chem. Ref. Data, 7(3):635-792, 1978. doi: 10.1063/1.555579
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !Lower temperature limit [K]
|
||
10000. !Upper temperature limit [K]
|
||
0. !
|
||
0. !
|
||
195.49 1000. !Reducing temperature and pressure
|
||
1 0 1 0 0 0 !Number of terms in melting line equation
|
||
0.0060615 0.0 !Coefficients and exponents
|
||
2533.125 1.0
|
||
|
||
|
||
#SBL !---Sublimation line---
|
||
SB2 !Sublimation line model for ammonia of Fray and Schmitt (2009).
|
||
:DOI: 10.1016/j.pss.2009.09.011
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
? Based on N. Fray and B. Schmitt, Planet. Space Sci. 57:2053-2080, 2009.
|
||
? Modified to match the triple point of the equation of state.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
195.49 !Upper temperature limit [K]
|
||
0. !
|
||
0. !
|
||
1.0 1000.0 !Reducing temperature and pressure
|
||
5 0 0 0 0 0 !Number of terms in sublimation line equation
|
||
13.6395 0.0 !Coefficients and exponents
|
||
-3.537e3 -1.0
|
||
-3.310e4 -2.0
|
||
1.742e6 -3.0
|
||
-2.995e7 -4.0
|
||
|
||
|
||
#PS !---Vapor pressure---
|
||
PS5 !Vapor pressure equation for ammonia of Gao et al. (2018).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Gao, K., 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. !
|
||
405.56 11365.0 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-7.2257 1.0
|
||
1.4263 1.5
|
||
-0.59642 2.0
|
||
-2.798 3.6
|
||
-3.7869 15.5
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for ammonia of Gao et al. (2018).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Gao, K., 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. !
|
||
405.56 13.696 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
2.4470 0.384
|
||
5.8341 1.65
|
||
-25.944 2.2
|
||
53.383 2.75
|
||
-54.411 3.35
|
||
22.771 4.0
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV3 !Saturated vapor density equation for ammonia of Gao et al. (2018).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Gao, K., 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. !
|
||
405.56 13.696 !Reducing parameters
|
||
6 0 0 0 0 0 !Number of terms in equation
|
||
-0.053296 0.14
|
||
-3.4589 0.44
|
||
-6.7572 1.314
|
||
-17.260 3.225
|
||
-43.120 6.4
|
||
-115.18 14.0
|
||
|
||
|
||
@END
|
||
c 1 2 3 4 5 6 7 8
|
||
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|
||
|
||
|
||
@ETA !---Viscosity---
|
||
VS1 !Pure fluid viscosity model for ammonia of Fenghour et al. (1995).
|
||
:DOI: 10.1063/1.555961
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Fenghour, A., Wakeham, W.A., Vesovic, V., Watson, J.T.R., Millat, J., and Vogel, E.,
|
||
? "The Viscosity of Ammonia,"
|
||
? J. Phys. Chem. Ref. Data, 24:1649-1667, 1995.
|
||
?
|
||
?The uncertainty varies from 0.5% for the viscosity of the dilute gas phase
|
||
? at moderate temperatures to about 5% for the viscosity at high pressures
|
||
? and temperatures.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
195.495 !Lower temperature limit [K]
|
||
725.0 !Upper temperature limit [K]
|
||
1000000.0 !Upper pressure limit [kPa]
|
||
52.915 !Maximum density [mol/L] (900 kg/m**3)
|
||
1 !Number of terms associated with dilute-gas function
|
||
CI1 !Pointer to reduced effective collision cross-section model
|
||
0.2957 !Lennard-Jones coefficient sigma [nm]
|
||
386.0 !Lennard-Jones coefficient epsilon/kappa [K]
|
||
1.0 1.0 !Reducing parameters for T, eta
|
||
8.8135503 0.5 !=0.021357*SQRT(MW)*(unknown factor of 100) [Chapman-Enskog term]
|
||
13 !Number of terms for initial density dependence
|
||
386.0 0.015570557 !Reducing parameters for T (= eps/k), etaB2 (= 0.6022137*sigma**3)
|
||
-1.7999496 0.0 !Coefficient, power in T* = T/(eps/k)
|
||
46.692621 -0.5
|
||
-534.60794 -1.0
|
||
3360.4074 -1.5
|
||
-13019.164 -2.0
|
||
33414.23 -2.5
|
||
-58711.743 -3.0
|
||
71426.686 -3.5
|
||
-59834.012 -4.0
|
||
33652.741 -4.5
|
||
-12027.35 -5.0
|
||
2434.8205 -5.5
|
||
-208.07957 -6.0
|
||
0 7 0 0 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
|
||
386.0 1.0 1.0 !Reducing parameters for T (= eps/k), rho, eta
|
||
0.219664285 -2.0 2.0 0.0 0 ! d_22; powers of tau, del, del0; power of del in exponential [0 indicated no exponential term present]
|
||
-0.083651107 -4.0 2.0 0.0 0 ! d_24
|
||
0.0017366936 0.0 3.0 0.0 0 ! d_30
|
||
-0.0064250359 -1.0 3.0 0.0 0 ! d_31
|
||
1.67668649e-4 -2.0 4.0 0.0 0 ! d_42
|
||
-1.49710093e-4 -3.0 4.0 0.0 0 ! d_43
|
||
0.77012274e-4 -4.0 4.0 0.0 0 ! d_44
|
||
NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
|
||
|
||
|
||
@AUX !---Auxiliary function for the collision integral
|
||
CI1 !Reduced effective collision cross-section model (empirical form in log(T*)) for ammonia.
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Reduced effective collision cross-section as reported by:
|
||
?
|
||
?Fenghour, A., Wakeham, W.A., Vesovic, V., Watson, J.T.R., Millat, J., and Vogel, E.,
|
||
? "The Viscosity of Ammonia,"
|
||
? J. Phys. Chem. Ref. Data, 24(5):1649-1667, 1995. doi: 10.1063/1.555961
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
4 !Number of terms
|
||
4.99318220 0 !Coefficient, power of Tstar
|
||
-0.61122364 1
|
||
0.18535124 3
|
||
-0.11160946 4
|
||
|
||
|
||
|
||
|
||
================================================================================
|
||
|
||
@TCX !---Thermal conductivity---
|
||
TC1 !Pure fluid thermal conductivity model for ammonia of Tufeu et al. (1984).
|
||
:DOI: 10.1002/bbpc.19840880421
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Tufeu, R., Ivanov, D.Y., Garrabos, Y., and Le Neindre, B.,
|
||
? "Thermal Conductivity of Ammonia in a Large Temperature and Pressure Range
|
||
? Including the Critical Region,"
|
||
? Ber. Bunsenges. Phys. Chem., 88:422-427, 1984.
|
||
?
|
||
?A patch has been added to the Tufeu formulation to avoid infinite values
|
||
? of the thermal conductivity around the critical temperature at ANY density.
|
||
? The patch affects the region between 404.4 and 406.5 K and rho<9.6 or
|
||
? rho>18 mol/l.
|
||
?
|
||
?The uncertainty in thermal conductivity is 2%.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
195.495 !Lower temperature limit [K]
|
||
725.0 !Upper temperature limit [K]
|
||
1000000.0 !Upper pressure limit [kPa]
|
||
52.915 !Maximum density [mol/L]
|
||
5 0 !# terms for dilute gas function: numerator, denominator
|
||
1.0 1.0 !Reducing parameters for T, tcx
|
||
0.03589 0. !Coefficient, power in T
|
||
-0.000175 1.
|
||
0.4551e-6 2.
|
||
0.1685e-9 3.
|
||
-0.4828e-12 4.
|
||
4 0 !# terms for background gas function: numerator, denominator
|
||
1.0 0.05871901 1. !Reducing parameters for T, rho (=1/MW), tcx
|
||
0.00016207 0. 1. 0. !Coefficient, powers of T, rho, spare for future use
|
||
0.12038e-5 0. 2. 0.
|
||
-0.23139e-8 0. 3. 0.
|
||
0.32749e-11 0. 4. 0.
|
||
TK7 !Pointer to critical enhancement auxiliary function
|
||
|
||
|
||
@AUX !---Auxiliary function for the thermal conductivity critical enhancement
|
||
TK7 !Thermal conductivity critical enhancement for ammonia of Tufeu et al. (1984).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Tufeu, R., Ivanov, D.Y., Garrabos, Y., and Le Neindre, B.,
|
||
? "Thermal Conductivity of Ammonia in a Large Temperature and Pressure Range
|
||
? Including the Critical Region,"
|
||
? Ber. Bunsenges. Phys. Chem., 88:422-427, 1984.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
$CE TEMP CNST < !Check if T>404.5 and T<406.5, then check if rho<9.6 or rho>18.
|
||
$CE TEMP CNST > AND !If all is true, the top number on the stack will be one, if not it will be zero.
|
||
$CE DENS CNST > !This will zero out the critical enhancment for low rho or high rho
|
||
$CE DENS CNST < OR AND !when T is near the critical point due to a problem with the equation.
|
||
$CE CNST * =TAU1 !04/01/18 - EWL - Remove the enhancement completely because it is causing incorrect values by change the 9.6 and 18 to 15.1 and 15.
|
||
$CE RED TEMP CNST - CNST / ABS =TAU
|
||
$CE TAU TAU1 TAU1 0 POP= =TAU1
|
||
$CE CNST TAU CNST * + CNST * =V1 !etab
|
||
$CE CNST CNST TAU CNST * EXP / - CNST * =V2 !dPdT
|
||
$CE CNST 235 * CNST TAU1 LOG * + SQR =V3 !xcon
|
||
$CE BOLTZ CNST * TEMP SQR * V2 SQR * CNST * TAU1 CNST POWR / 1 TAU SQRT CNST * + *
|
||
$CE 6 PI * V1 * CNST * TAU1 CNST POWR / 1 TAU SQRT + * / TAU SQR 36 SIGN * EXP * =V4
|
||
$CE V4 V3 * V3 DR CNST 235 * - SQR + /
|
||
$CE V4 V3 * V3 141 CNST 235 * - SQR + / DR SQR * 141 SQR / DENS DC / CNST POP<
|
||
$CF
|
||
404.4 0. 0. 0. 0
|
||
406.5 0. 0. 0. 0
|
||
15.1 0. 0. 0. 0
|
||
15.0 0. 0. 0. 0
|
||
0.002 0. 0. 0. 0
|
||
1. 405.4 0.05871811313 0. 0
|
||
405.4 0. 0. 0. 0
|
||
405.4 0. 0. 0. 0
|
||
2.6 0. 0. 0. 0
|
||
1.6 0. 0. 0. 0
|
||
1e-5 0. 0. 0. 0
|
||
2.18 0. 0. 0. 0
|
||
0.12 0. 0. 0. 0
|
||
17.8 0. 0. 0. 0
|
||
1e5 0. 0. 0. 0
|
||
0.61 0. 0. 0. 0
|
||
16.5 0. 0. 0. 0
|
||
1.2 0. 0. 0. 0
|
||
0.423e-8 0. 0. 0. 0
|
||
1.24 0. 0. 0. 0
|
||
1.429 0. 0. 0. 0
|
||
1.34e-10 0. 0. 0. 0
|
||
0.63 0. 0. 0. 0
|
||
0.96 0. 0. 0. 0
|
||
0.96 0. 0. 0. 0
|
||
0.6 0. 0. 0. 0
|
||
0.6 0. 0. 0. 0
|
||
0.6 0. 0. 0. 0
|
||
0.6 0. 0. 0. 0
|
||
0.6 0. 0. 0. 0
|
||
0.6 0. 0. 0. 0
|
||
0.6 0. 0. 0. 0
|