465 lines
23 KiB
Plaintext
465 lines
23 KiB
Plaintext
R1233zd(E) !Short name
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102687-65-0 !CAS number
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trans-1-Chloro-3,3,3-trifluoro-1-propene !Full name
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CF3CH=CHCl !Chemical formula {C3H2ClF3}
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HFO-1233zd(E) !Synonym
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130.4962 !Molar mass [g/mol]
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195.15 !Triple point temperature [K]
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291.413 !Normal boiling point [K]
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439.6 !Critical temperature [K]
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3623.7 !Critical pressure [kPa]
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3.68 !Critical density [mol/L]
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0.3025 !Acentric factor
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1.12 !Dipole moment [Debye]; calculated by R. Gaabe, TU Braunschweig, 2017.
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IIR !Default reference state
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10.0 !Version number
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3163 !UN Number :UN:
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halocb !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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1. !GWP :GWP:
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16000. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL:
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A1 !Safety Group (ASHRAE Standard 34, 2010) :Safety:
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1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1+ !Standard InChI String :InChi:
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LDTMPQQAWUMPKS-OWOJBTEDSA-N !Standard InChI Key :InChiKey:
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40377b40 (R1234yf) !Alternative fluid for mixing rules :AltID:
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bf17dfe0 !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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! 08-01-12 EWL, Original version.
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! 10-15-12 EWL, Revision based on measured data to date (p-rho-T, p_sat).
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! 11-16-12 MLH, Add transport predictions.
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! 11-22-13 MLH, Revise surface tension model.
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! 02-10-15 EWL, Update equation of state based on corrected pvt and psat data.
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! 03-09-15 EWL, Add new surface tension equation of Kondou et al. (2015).
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! 11-06-15 EWL, Refit ancillary equations.
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! 12-01-16 MLH, Add new thermal conductivity correlation, updated ECS viscosity coeff with 2015 EOS.
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! 01-26-17 MLH, Update ECS for viscosity, implement Perkins et al (2017) thermal conductivity model, update dipole moment.
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! 09-14-17 MLH, Add Wen viscosity correlation
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! 01-08-17 MLH, Revise ECS viscosity model including Miyara preliminary data and set as default.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for R-1233zd(E) of Mondejar et al. (2015).
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:TRUECRITICALPOINT: 439.6 3.68 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
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:DOI: 10.1021/acs.jced.5b00348
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mondejar, M.E., McLinden, M.O., and Lemmon, E.W.,
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? "Thermodynamic Properties of trans-1-chloro-3,3,3-Trifluoropropene
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? (R1233zd(E)): Vapor Pressure, P-rho-T Data, Speed of Sound Measurements
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? and Equation of State,"
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? J. Chem. Eng. Data, 60:2477-2489, 2015.
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? doi: 10.1021/acs.jced.5b00348
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?
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!```````````````````````````````````````````````````````````````````````````````
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195.15 !Lower temperature limit [K]
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550. !Upper temperature limit [K]
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100000. !Upper pressure limit [kPa]
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11.41 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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130.4962 !Molar mass [g/mol]
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195.15 !Triple point temperature [K]
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0.2733 !Pressure at triple point [kPa]
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11.404 !Density at triple point [mol/L]
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291.413 !Normal boiling point temperature [K]
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0.3025 !Acentric factor
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439.6 3623.7 3.68 !Tc [K], pc [kPa], rhoc [mol/L]
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439.6 3.68 !Reducing parameters [K, mol/L]
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8.3144598 !Gas constant [J/mol-K]
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10 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.0478487 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.60644 0.26 1. 0.
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-2.27161 1.02 1. 0.
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-0.530687 0.7 2. 0.
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0.169641 0.4 3. 0.
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-1.85458 1.46 1. 2.
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-0.321916 2.3 3. 2.
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0.636411 0.66 2. 1.
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-0.121482 2.7 2. 2.
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-0.0262755 1.19 7. 1.
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2.37362 1.62 1. 2. 2. -0.748 -1.29 0.89 0.508 0. 0. 0.
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-0.901771 1.13 1. 2. 2. -1.473 -1.61 1.13 0.366 0. 0. 0.
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-0.455962 1.7 3. 2. 2. -1.39 -0.8 0.7 0.38 0. 0. 0.
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-0.602941 1.35 2. 2. 2. -0.86 -1.34 0.91 0.773 0. 0. 0.
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-0.0594311 1.5 2. 2. 2. -1.8 -0.49 1.2 1.17 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 R-1233zd(E) of Mondejar et al. (2015).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mondejar, M.E., McLinden, M.O., and Lemmon, E.W., 2015.
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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 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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11.795 630.0
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8.6848 2230.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for R-1233zd(E) of Mondejar et al. (2015).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mondejar, M.E., McLinden, M.O., and Lemmon, E.W., 2015.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 2 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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-16.4562356954883171 0.0 !aj, ti for [ai*tau**ti] terms
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10.095964662989191 1.0 !aj, ti for [ai*tau**ti] terms
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11.795 630.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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8.6848 2230.0
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for R-1233zd(E) of Mondejar et al. (2012).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mondejar, M.E., McLinden, M.O., Lemmon, E.W.
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? preliminary equation of state, 2012.
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?
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!```````````````````````````````````````````````````````````````````````````````
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195.15 !Lower temperature limit [K]
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550. !Upper temperature limit [K]
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100000. !Upper pressure limit [kPa]
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11.41 !Maximum density [mol/L]
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CP1 !Pointer to Cp0 model
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130.4961896 !Molar mass [g/mol]
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195.15 !Triple point temperature [K]
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0.25 !Pressure at triple point [kPa]
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11.41 !Density at triple point [mol/L]
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291.47 !Normal boiling point temperature [K]
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0.305 !Acentric factor
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439.6 3624.0 3.68 !Tc [K], pc [kPa], rhoc [mol/L]
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439.6 3.68 !Reducing parameters [K, mol/L]
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8.3144621 !Gas constant [J/mol-K]
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10 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.0478487 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.60644 0.26 1. 0.
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-2.27161 1.02 1. 0.
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-0.530687 0.7 2. 0.
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0.169641 0.4 3. 0.
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-1.85458 1.46 1. 2.
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-0.321916 2.3 3. 2.
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0.636411 0.66 2. 1.
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-0.121482 2.7 2. 2.
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-0.0262755 1.19 7. 1.
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2.37362 1.62 1. 2. 2. -0.748 -1.29 0.89 0.508 0. 0. 0.
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-0.901771 1.13 1. 2. 2. -1.473 -1.61 1.13 0.366 0. 0. 0.
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-0.455962 1.7 3. 2. 2. -1.39 -0.8 0.7 0.38 0. 0. 0.
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-0.602941 1.35 2. 2. 2. -0.86 -1.34 0.91 0.773 0. 0. 0.
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-0.0594311 1.5 2. 2. 2. -1.8 -0.49 1.2 1.17 0. 0. 0.
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@AUX !---Auxiliary function for Cp0
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CP1 !Ideal gas heat capacity function for R-1233zd(E) of Mondejar et al. (2012).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mondejar, M.E., McLinden, M.O., Lemmon, E.W.
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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 8.3144621 !Reducing parameters for T, Cp0
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1 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.0 0.0
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11.795 630.0
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8.6848 2230.0
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================================================================================
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#TCX !---Thermal conductivity---
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TC1 !Pure fluid thermal conductivity model for R-1233zd(E) of Perkins et al. (2017).
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:DOI: 10.1021/acs.jced.7b00106
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Perkins, R.A., Huber, M.L., and Assael, M.J.,
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? "Measurement and Correlation of the Thermal Conductivity
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? of trans-1-Chloro-3,3,3-Trifluoropropene (R1233zd(E)),"
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? J. Chem. Eng. Data, 62(9):2659-2665, 2017. doi: 10.1021/acs.jced.7b00106
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?
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!```````````````````````````````````````````````````````````````````````````````
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195. !Lower temperature limit [K]
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550. !Upper temperature limit [K]
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100000. !Upper pressure limit [kPa]
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11.5 !Maximum density [mol/L]
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3 0 !# terms for dilute gas function: numerator, denominator
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439.6 1. !Reducing parameters for T, tcx
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-0.0140033 0.
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0.037816 1.
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-0.00245832 2.
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12 0 !# terms for background gas function: numerator, denominator
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439.6 3.68 1. !Reducing parameters for T (= Tc), rho (= Dc), tcx
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0.00862816 0. 1. 0.
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-0.0208988 0. 2. 0.
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0.0511968 0. 3. 0.
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-0.0349076 0. 4. 0.
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0.00975727 0. 5. 0.
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-0.000926484 0. 6. 0.
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0.000914709 1. 1. 0.
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-0.00407914 1. 2. 0.
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0.00845668 1. 3. 0.
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-0.0108985 1. 4. 0.
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0.00538262 1. 5. 0.
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-0.000806009 1. 6. 0.
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TK3 !Pointer to critical enhancement auxiliary function
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#AUX !---Auxiliary function for the thermal conductivity critical enhancement
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TK3 !Simplified thermal conductivity critical enhancement for R-1233zd(E) of Perkins et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
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? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
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? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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9 0 0 0 !# terms: CO2-terms, spare, spare, spare
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1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
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0.63 !Nu (universal exponent)
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1.239 !Gamma (universal exponent)
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1.02 !R0 (universal amplitude)
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0.063 !Z (universal exponent--not used for t.c., only viscosity)
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1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
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0.213e-9 !Xi0 (amplitude) [m]
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0.059 !Gam0 (amplitude) [-]
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5.98e-10 !Qd_inverse (modified effective cutoff parameter) [m]
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659.4 !Tref (reference temperature)=1.5*Tc [K]
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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@TRN !---ECS Transport---
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ECS !Extended Corresponding States model (R134a reference).
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension
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? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018.
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? doi: 10.6028/NIST.IR.8209
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?
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?VISCOSITY
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? Personal communication from X. Meng, unpublished data, Xi'an Xiaotong University, China, 2017.
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? Personal communication from A. Miyara, unpublished data, Saga University, Japan, 2018.
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?Estimated uncertainty is 4% for the liquid over 243 to 433 K at pressures to 40 MPa, rising to 10% at 100 MPa.
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?Estimated uncertainty for the gas phase is 4%.
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?
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?THERMAL CONDUCTIVITY
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? preliminary vapor phase data of R.A. Perkins, NIST, Boulder, 2012.
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?
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?Estimated uncertainty 20%.
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?
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?The Lennard-Jones parameters were estimated with the method of Chung.
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?
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!```````````````````````````````````````````````````````````````````````````````
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195.0 !Lower temperature limit [K]
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550.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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11.5 !Maximum density [mol/L]
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FEQ R134A.FLD
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VS1 !Model for reference fluid viscosity
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TC1 !Model for reference fluid thermal conductivity
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BIG !Large molecule identifier
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0.93 0. 0. 0. !Large molecule parameters
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.524 !Lennard-Jones coefficient sigma [nm] for ECS method
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349.1 !Lennard-Jones coefficient epsilon/kappa [K]
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1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2
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4 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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-0.0848988 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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1.22693 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.463275 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
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0.0568798 0. 3. 0. !Coefficient, power of Tr, power of Dr, spare
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1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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TK3 !Pointer to critical enhancement auxiliary function
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********************************************************************************
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@ETA !---Viscosity---
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VS1 !Pure fluid viscosity model for R-1233zd(E) of Wen et al. (2017).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Wen, C., Meng, X., Wu, J. "Measurement and Correlation of the Viscosity of R1233zde from 243 K to 373 K and up to 40 MPa
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? submitted to J. Chem. Eng. Data, 2017.
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? Esimated uncertainty in the liquid phase from 240- 400 K at pressures to 40 MPa is 2%.
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? No data for gas phase; estimated uncertainty 10 %
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?
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!```````````````````````````````````````````````````````````````````````````````
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195.15 !Lower temperature limit [K]
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550.0 !Upper temperature limit [K]
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100000.0 !Upper pressure limit [kPa]
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11.41 !Maximum density [mol/L]
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1 !Number of terms associated with dilute-gas function
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CI0 !Pointer to reduced effective collision cross-section model
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0.5240 !Lennard-Jones coefficient sigma [nm]
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349.08 !Lennard-Jones coefficient epsilon/kappa [K]
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1.0 1.0 !Reducing parameters for T, eta
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0.281086 0.5 !=0.02669*SQRT(MW)*fc [Chapman-Enskog term] for Chung method with 1.44 D dip
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9 !Number of terms for initial density dependence
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349.08 0.086645 !Reducing parameters for T (=eps/k), etaB2 (= 0.6022137*sigma**3)
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-19.572881 0.0 !Coefficient, power in T* = T/(eps/k)
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219.73999 -0.25
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-1015.3226 -0.5
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2471.0125 -0.75
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-3375.1717 -1.0
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2491.6597 -1.25
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-787.26086 -1.5
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14.085455 -2.5
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-0.34664158 -5.5
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0 1 2 5 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
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439.6 3.68 1.0 !Reducing parameters for T, rho, eta (correlation in terms of uPa-s)
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17.5983 0.5 0.6666666667 0. 0 !Coefficient, power of tau, del n1
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-4.02103 0.5 0.6666666667 0. 0 !Coefficient, power of tau, del n2
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-105.820 0.5 1.6666666667 0. 0 !Coefficient, power of tau, del n3
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-10.6936 0.0 0. 0. 0 !Coefficient, power of tau, del n4
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6.57574 0.0 1. 0. 0 !Coefficient, power of tau, del n5
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-5.26734 1.0 0. 0. 0 !Coefficient, power of tau, del n6
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1.10633 1.0 1. 0. 0 !Coefficient, power of tau, del n7
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-0.959157 0.0 2. 0. 0 !Coefficient, power of tau, del n8
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NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for R-1233zd(E) of Kondou et al. (2015).
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:DOI: 10.1016/j.ijrefrig.2015.01.005
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Kondou, C., Nagata, R., Nii, N., Koyama, S., and Higashi, Y.,
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? "Surface Tension of Low GWP Refrigerants R1243zf, R1234ze(Z), and R1233zd(E),"
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? Int. J. Refrig., 53:80-89, 2015.
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? doi: 10.1016/j.ijrefrig.2015.01.005
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?
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?Critical temperature was changed to match that from the EOS.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1 !Number of terms in surface tension model
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439.6 !Critical temperature used in fit (dummy)
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0.06195 1.277 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for R-1233zd(E) of Mondejar et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
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? are the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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439.6 3623.7 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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-7.5635 1.0
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1.8668 1.5
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-2.1880 2.4
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-3.4571 4.5
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-2.4340 14.0
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#DL !---Saturated liquid density---
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DL1 !Saturated liquid density equation for R-1233zd(E) of Mondejar et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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439.6 3.68 !Reducing parameters
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5 0 0 0 0 0 !Number of terms in equation
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7.0378 0.53
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-14.550 0.85
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21.707 1.2
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-18.338 1.6
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7.1635 2.0
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#DV !---Saturated vapor density---
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DV3 !Saturated vapor density equation for R-1233zd(E) of Mondejar et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
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? the reducing parameters below, which are followed by rows containing Ni and ti.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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439.6 3.68 !Reducing parameters
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6 0 0 0 0 0 !Number of terms in equation
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-6.1834 0.52
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6.8270 0.85
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-11.226 1.2
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-22.406 3.4
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-58.384 7.0
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-146.92 15.0
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@END
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