376 lines
18 KiB
Plaintext
376 lines
18 KiB
Plaintext
R1234ze(Z) !Short name
|
|
29118-25-0 !CAS number
|
|
cis-1,3,3,3-Tetrafluoropropene !Full name
|
|
CHF=CHCF3 (cis) !Chemical formula {C3F4H2}
|
|
R-1234ze(Z) !Synonym
|
|
114.0416 !Molar mass [g/mol]
|
|
238. !Triple point temperature [K] (currently set at Tlow, not Ttrp)
|
|
282.878 !Normal boiling point [K]
|
|
423.27 !Critical temperature [K]
|
|
3530.6 !Critical pressure [kPa]
|
|
4.0 !Critical density [mol/L]
|
|
0.327 !Acentric factor
|
|
2.9 !Dipole moment [Debye]; (computed 10/17 by A. Kazakov, NIST, DF-MP2/def2-QZVPD, unc. 0.1-0.15 D)
|
|
IIR !Default reference state
|
|
10.0 !Version number
|
|
???? !UN Number :UN:
|
|
halocb !Family :Family:
|
|
???? !Heating value (upper) [kJ/mol] :Heat:
|
|
???? !GWP :GWP:
|
|
1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1- !Standard InChI String :InChi:
|
|
CDOOAUSHHFGWSA-UPHRSURJSA-N !Standard InChI Key :InChiKey:
|
|
9905ef70 (R1234ze(E)) !Alternative fluid for mixing rules :AltID:
|
|
e23fd030 !Hash number from InChI Key :Hash:
|
|
|
|
|
|
|
|
|
|
!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
|
|
! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
|
|
! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
|
|
! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
|
|
! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
|
|
! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
|
|
! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
|
|
! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
|
|
! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
|
|
! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
|
|
! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
|
|
! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
|
|
! end of the fluid file is marked with @END. Anything below that is ignored.
|
|
|
|
|
|
! compiled by E.W. Lemmon, NIST Physical and Chemical Properties Division, Boulder, Colorado
|
|
! 12-17-13 EWL, Original version.
|
|
! 07-07-14 MLH, Add predictive transport.
|
|
! 03-09-15 EWL, Add surface tension equation of Kondou et al. (2015).
|
|
! 02-16-17 KG, Add ancillary equations.
|
|
! 08-24-17 RA, Add final equation of state of Akasaka and Lemmon (2018).
|
|
! 10-20-17 MLH, Add dipole moment, revise predictive transport
|
|
! 01-12-17 MLH, Add new ECS transport based on preliminary data from Miyara (2018).
|
|
! 02-05-18 RA, Add ancillary equations.
|
|
|
|
|
|
|
|
|
|
________________________________________________________________________________
|
|
|
|
#EOS !---Equation of state---
|
|
FEQ !Helmholtz equation of state for R-1234ze(Z) of Akasaka and Lemmon (2018).
|
|
:TRUECRITICALPOINT: 423.27 4.0 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
|
|
:DOI:
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Akasaka, R. and Lemmon, E.W.,
|
|
? "Fundamental Equations of State for cis-1,3,3,3-Tetrafluoropropene (R-1234ze(Z))
|
|
? and 3,3,3-Trifluoropropene (R-1243zf),"
|
|
? to be submitted to J. Chem. Eng. Data, 2018.
|
|
?
|
|
?Typical uncertainties over the range of validity are 0.1% for vapor pressures at
|
|
? temperatures above 300 K, 0.3% for those at lower temperatures, 0.1% for liquid
|
|
? densities, and 0.3% for vapor densities, except in the critical region where
|
|
? larger deviations up to about 1% are observed in densities. The uncertainties
|
|
? in sound speeds are 0.02% in the vapor phase and 0.05% in the liquid phase.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
238. !Lower temperature limit [K]
|
|
440.0 !Upper temperature limit [K]
|
|
34000.0 !Upper pressure limit [kPa]
|
|
12.01 !Maximum density [mol/L]
|
|
CPP !Pointer to Cp0 model
|
|
114.0416 !Molar mass [g/mol]
|
|
238. !Triple point temperature [K] (currently set at Tlow, not Ttrp)
|
|
11.942 !Pressure at triple point [kPa]
|
|
12.01 !Density at triple point [mol/L]
|
|
282.878 !Normal boiling point temperature [K]
|
|
0.327 !Acentric factor
|
|
423.27 3530.6 4.0 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
423.27 4.0 !Reducing parameters [K, mol/L]
|
|
8.3144598 !Gas constant [J/mol-K]
|
|
10 4 6 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
|
|
0.03194509 1. 4. 0. !a(i),t(i),d(i),l(i)
|
|
1.394592 0.333 1. 0.
|
|
-2.300799 1. 1. 0.
|
|
-0.2556693 1. 2. 0.
|
|
0.1282934 0.38 3. 0.
|
|
-1.335381 2.85 1. 2.
|
|
-1.366494 3.16 3. 2.
|
|
0.2004912 0.607 2. 1.
|
|
-0.6489709 2.2 2. 2.
|
|
-0.02220033 1. 7. 1.
|
|
1.66538 1.83 1. 2. 2. -1.108 -0.563 1.246 0.933 0. 0. 0.
|
|
0.3427048 3.3 1. 2. 2. -1.579 -1.724 1.05 0.786 0. 0. 0.
|
|
-0.6510217 1.9 3. 2. 2. -1.098 -0.806 1. 0.496 0. 0. 0.
|
|
-0.5067066 2.6 2. 2. 2. -0.672 -0.505 0.677 0.327 0. 0. 0.
|
|
-0.1231787 2.9 3. 2. 2. -3.38 -26.4 1.302 0.523 0. 0. 0.
|
|
0.08828106 3. 2. 2. 2. -1.6 -8.82 1.274 0.308 0. 0. 0.
|
|
eta beta gamma epsilon
|
|
EXP[eta*(delta-epsilon)^2+beta*(tau-gamma)^2]
|
|
|
|
|
|
#AUX !---Auxiliary function for Cp0
|
|
CPP !Ideal gas heat capacity function for R-1234ze(Z) of Akasaka and Lemmon (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Akasaka, R. and Lemmon, E.W., 2018.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1.0 8.3144598 !Reducing parameters for T, Cp0
|
|
1 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
|
4.0 0.0
|
|
4.2365 20.0
|
|
13.063 1335.0
|
|
|
|
|
|
#AUX !---Auxiliary function for PX0
|
|
PX0 !Helmholtz energy ideal-gas function for R-1234ze(Z) of Akasaka and Lemmon (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Akasaka, R. and Lemmon, E.W., 2018.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
1 2 2 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
|
|
3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms
|
|
-2.422442259289312 0.0 !aj, ti for [ai*tau**ti] terms
|
|
8.1905398438971062 1.0 !aj, ti for [ai*tau**ti] terms
|
|
4.2365 20.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
|
|
13.063 1335.0
|
|
|
|
|
|
|
|
|
|
--------------------------------------------------------------------------------
|
|
|
|
@EOS !---Equation of state---
|
|
FE1 !Helmholtz equation of state for R-1234ze(Z) of Akasaka et al. (2014).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Akasaka, R., Higashi, Y., Miyara, A., Koyama, S.
|
|
? "A Fundamental Equation of State for Cis-1,3,3,3-tetrafluoropropene (R-1234ze(Z)),"
|
|
? Int. J. Refrig., 44, 168-176 (2014). 10.1016/j.ijrefrig.2013.12.018
|
|
?
|
|
?The estimated uncertainties of properties calculated from the equation are
|
|
? 0.15 % in vapor pressures, 0.4 % in vapor densities, 0.2 % in liquid densities,
|
|
? and 0.05 % in the vapor phase sound speeds.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
273.0 !Lower temperature limit [K]
|
|
430.0 !Upper temperature limit [K]
|
|
6000.0 !Upper pressure limit [kPa]
|
|
11.26 !Maximum density [mol/L]
|
|
CP1 !Pointer to Cp0 model
|
|
114.0416 !Molar mass [g/mol]
|
|
273. !Triple point temperature [K] (currently set at Tlow, not Ttrp)
|
|
67.8 !Pressure at triple point [kPa]
|
|
11.26 !Density at triple point [mol/L]
|
|
282.895 !Normal boiling point temperature [K]
|
|
0.3274 !Acentric factor
|
|
423.27 3533.0 4.1267 !Tc [K], pc [kPa], rhoc [mol/L]
|
|
423.27 4.1267 !Reducing parameters [K, mol/L]
|
|
8.314472 !Gas constant [J/mol-K]
|
|
17 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
|
|
7.7652368 0.685 1. 0.
|
|
-8.7025756 0.8494 1. 0.
|
|
-0.28352251 1.87 1. 0.
|
|
0.14534501 2. 2. 0.
|
|
0.0092092105 0.142 5. 0.
|
|
-0.24997382 4.2 1. 1.
|
|
0.09667436 0.08 3. 1.
|
|
0.024685924 0.0 5. 1.
|
|
-0.013255083 1.1 7. 1.
|
|
-0.06423133 5.5 1. 2.
|
|
0.36638206 6.6 2. 2.
|
|
-0.25548847 8.4 2. 2.
|
|
-0.095592361 7.2 3. 2.
|
|
0.086271444 7.6 4. 2.
|
|
0.015997412 8.5 2. 3.
|
|
-0.013127234 23.0 3. 3.
|
|
0.004229399 18.0 5. 3.
|
|
|
|
|
|
@AUX !---Auxiliary function for Cp0
|
|
CP1 !Ideal gas heat capacity function for R-1234ze(Z) of Akasaka et al. (2014).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Akasaka, R., Higashi, Y., Miyara, A., Koyama, S.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
423.27 8.314472 !Reducing parameters for T, Cp0
|
|
4 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
|
|
-1.6994 0.0
|
|
24.527 1.0
|
|
-9.9249 2.0
|
|
1.5158 3.0
|
|
|
|
|
|
|
|
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
|
|
|
#TRN !---ECS Transport---
|
|
ECS !Extended Corresponding States model (R134a reference) for R-1234ze(Z).
|
|
:DOI: 10.6028/NIST.IR.8209
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
|
|
?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension
|
|
? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018.
|
|
? doi: 10.6028/NIST.IR.8209
|
|
?
|
|
?Fits based on fit of preliminary unpublished data of Miyara, Saga University, Japan, 2018.
|
|
? Uncertainty for viscosity in the saturated liquid phase is 3%, 4% for vapor over 300 to 450 K, higher at higher pressures.
|
|
? Uncertainty for thermal conductivity in the saturated liquid phase is 2%, 3% for vapor over 300 to 430 K, higher near critical and at higher pressures.
|
|
?
|
|
?The Lennard-Jones parameters were estimated with the method of Chung.
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
238. !Lower temperature limit [K]
|
|
440.0 !Upper temperature limit [K]
|
|
34000.0 !Upper pressure limit [kPa]
|
|
12.01 !Maximum density [mol/L]
|
|
FEQ R134A.FLD
|
|
VS1 !Model for reference fluid viscosity
|
|
TC1 !Model for reference fluid thermal conductivity
|
|
BIG !Large molecule identifier
|
|
0.85 0. 0. 0. !Large molecule parameters
|
|
1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
|
|
0.5096 !Lennard-Jones coefficient sigma [nm]
|
|
336.11 !Lennard-Jones coefficient epsilon/kappa [K]
|
|
1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
|
|
0.00162 0. 0. 0. !Coefficient, power of T, spare1, spare2
|
|
2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
|
|
0.829337 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
0.0476201 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
|
|
1.10592 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
-0.0471388 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
|
|
TK3 !Pointer to critical enhancement auxiliary function
|
|
|
|
|
|
#AUX !---Auxiliary function for the thermal conductivity critical enhancement
|
|
TK3 !Simplified thermal conductivity critical enhancement for R-1234ze(Z) of Perkins et al. (2013).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
|
|
? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
|
|
? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
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)
|
|
0.063 !Z (universal exponent--not used for t.c., only viscosity)
|
|
1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
|
|
0.206e-9 !Xi0 (amplitude) [m]
|
|
0.055 !Gam0 (amplitude) [-]
|
|
0.620e-9 !Qd_inverse (modified effective cutoff parameter) [m]
|
|
634.91 !Tref (reference temperature) [K]
|
|
|
|
|
|
|
|
|
|
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
|
|
|
|
#STN !---Surface tension---
|
|
ST1 !Surface tension model for R-1234ze(Z) of Kondou et al. (2015).
|
|
:DOI: 10.1016/j.ijrefrig.2015.01.005
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Kondou, C., Nagata, R., Nii, N., Koyama, S., and Higashi, Y.,
|
|
? "Surface Tension of Low GWP Refrigerants R1243zf, R1234ze(Z), and R1233zd(E),"
|
|
? Int. J. Refrig., 53:80-89, 2015.
|
|
? doi: 10.1016/j.ijrefrig.2015.01.005
|
|
?
|
|
!```````````````````````````````````````````````````````````````````````````````
|
|
0. !
|
|
10000. !
|
|
0. !
|
|
0. !
|
|
1 !Number of terms in surface tension model
|
|
423.27 !Critical temperature used in fit (dummy)
|
|
0.05657 1.22 !Sigma0 and n
|
|
|
|
|
|
#PS !---Vapor pressure---
|
|
PS5 !Vapor pressure equation for R-1234ze(Z) of Akasaka (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Akasaka, R., 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. !
|
|
423.27 3530.6 !Reducing parameters
|
|
4 0 0 0 0 0 !Number of terms in equation
|
|
-7.7093 1.0
|
|
2.3374 1.5
|
|
-2.1124 2.0
|
|
-3.1074 4.2
|
|
|
|
|
|
#DL !---Saturated liquid density---
|
|
DL1 !Saturated liquid density equation for R-1234ze(Z) of Akasaka (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Akasaka, R., 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. !
|
|
423.27 4.0 !Reducing parameters
|
|
4 0 0 0 0 0 !Number of terms in equation
|
|
1.3241 0.265
|
|
2.3135 0.75
|
|
-1.2904 1.3
|
|
0.67545 1.95
|
|
|
|
|
|
#DV !---Saturated vapor density---
|
|
DV3 !Saturated vapor density equation for R-1234ze(Z) of Akasaka (2018).
|
|
?
|
|
?```````````````````````````````````````````````````````````````````````````````
|
|
?Akasaka, R., 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. !
|
|
423.27 4.0 !Reducing parameters
|
|
4 0 0 0 0 0 !Number of terms in equation
|
|
-1.9019 0.3
|
|
-6.4503 0.96
|
|
-15.730 2.7
|
|
-47.277 5.8
|
|
|
|
|
|
@END
|
|
c 1 2 3 4 5 6 7 8
|
|
c2345678901234567890123456789012345678901234567890123456789012345678901234567890
|