r236ea.fld

一个关于物性计算的软件

R236ea                                !short name
431-63-0                              !CAS number
1,1,1,2,3,3-hexafluoropropane         !full name
CF3CHFCHF2                            !chemical formula
HFC-236ea                             !synonym
152.03928          !molecular weight [g/mol]
0.0                !triple point temperature [K]
279.34             !normal boiling point [K] (calculated from ECS model)
412.44             !critical temperature [K]
3501.98            !critical pressure [kPa]
3.70302            !critical density [mol/L]
0.3794             !acentric factor (calculated from ECS model)
1.129              !dipole moment [Debye]; Goodwin & Mehl (1997) IJT 18:795-806
IIR                !default reference state
6.1                !version number

! compiled by E.W. Lemmon, NIST Physical and Chemical Properties Division, Boulder, Colorado
! 06-10-96 EWL, original version
! 07-14-97  MM, add surface tension correlation
! 10-24-97  MM, read in f_int term in Eucken correlation in ECS method for t.c.
!               change reference fluid EOS for ECS-transport from BWR to FEQ
! 11-25-97  MM, add dipole moment
! 05-21-02 MLH, add transport fits


#EOS               !equation of state specification
ECS  Extended Corresponding States model w/ T- and rho-dependent shape factors.
?LITERATURE REFERENCE \
?Huber, M.L. and Ely, J.F.,
? "A predictive extended corresponding states model for pure and mixed
? refrigerants including an equation of state for R134a,"
? Int. J. Refrigeration, 17:18-31, 1994.\
?\
?ECS parameters fitted by Eric W. Lemmon, NIST, 06-10-97\
?DATA SOURCES\
?Defibaugh, D.R., Gillis, K.A., Moldover, M.R., Schmidt, J.W., and Weber, L.A.,
? Thermodynamic properties of CF3-CF-CHF2, 1,1,1,2,3,3-hexafluoropropane.
? Fluid Phase Equilibria, 122:131-155 (1996).
?\
?Average absolute deviations of the fit from the experimental data were:\
?   PVT:  0.07%; Psat:  0.05%; \
?\
!end of info section
242.0              !lower temperature limit [K]
500.0              !upper temperature limit [K]
60000.0            !upper pressure limit [kPa]
10.465             !maximum density [mol/L]
CPP                !pointer to Cp0 model
R134a.fld
BWR                !pointer to reference fluid model
0.32668            !acentric factor for R134a used in shape factor correlation
0.259147           !critical compressibility for R134a used in correlation
0.3794             !acentric factor for fluid used in shape factor correlation
412.44             !critical temperature [K]
3501.98            !critical pressure [kPa]
3.70302            !critical density [mol/L]
2                         !number of temperature coefficients for 'f' shape factor
 -0.677869920E+00  0      !alpha1 of Huber & Ely
 -0.521826510E+00  1      !alpha2 of Huber & Ely (log(Tr) term)
1                         !number of density coefficients for 'f' shape factor
  0.113833347E-01  1
3                         !number of temperature coefficients for 'h' shape factor
  0.142369159E+01  0      !beta1 of Huber & Ely
  0.870214752E-01  1      !beta2 of Huber & Ely (log(Tr) term)
  0.195298641E-01  1
0                         !number of density coefficients for 'h' shape factor


#AUX               !auxiliary model specification
CPP  ideal gas heat capacity function of Outcalt & McLinden (1995).
?LITERATURE REFERENCE \
?Defibaugh, D.R., Gillis, K.A., Moldover, M.R., Schmidt, J.W., and Weber, L.A.,
? "Thermodynamic properties of CF3-CF-CHF2, 1,1,1,2,3,3-hexafluoropropane,"
? Fluid Phase Equilibria, 122:131-155, 1996.
?\
!end of info section
242.0              !lower temperature limit [K]
500.0              !upper temperature limit [K]
0.0                !upper pressure limit [kPa]
0.0                !maximum density [mol/L]
1.0          8.314471                  !reducing parameters for T, Cp0
  3  0    0  0    0  0  0              !Nterms:  polynomial, exponential, cosh, sinh
5.30694            0.00                !c(i), power of T
 0.03973           1.00
-1.859d-5          2.00


#TRN               !transport model specification
ECS  Extended Corresponding States model (R134a reference); fitted to data.
?LITERATURE REFERENCES \
?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, 20:208-217, 1997.
?\
?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, 23:43-63, 2000.
?\
?
?DATA SOURCES FOR THERMAL CONDUCTIVITY\
?The ECS parameters for thermal conductivity were based on the data of:\
?\
?Perkins, R., Cusco, L., Howley, J., Laesecke, A., Matthes, S. and Ramires, M.L.V. (2001).
? "Thermal conductivities of alternatives to CFC-11 for foam insulation".
? J. Chem. Eng. Data, 46(2):428-432.
?
?Perkins, R., 2002, NIST Div. 838.07, 325 Broadway, Boulder CO 80305,
? [e-mail],personal communication.
?
?\
?Average absolute deviations of the fit from the experimental data were:\
?  Perkins(2001):  2.59%; Perkins(2002): 1.17%
?  Overall:  1.82%\
?
?\
?DATA SOURCES FOR VISCOSITY\
?The ECS parameters for viscosity were based on the data of:\
?\
?Laesecke, A. and Defibaugh, D.R. (1996).
? "Viscosity of 1,1,1,2,3,3-hexafluoropropane and 1,1,1,3,3,3-hexafluoropropane at
? saturated-liquid conditions from 262K to 353K,"
? J. Chem. Eng. Data, 41(1):59-62.
?
?Average absolute deviations of the fit from the experimental data were:\
?   Laesecke:  0.56%
?   Overall:   0.56%\
?\
?The Lennard-Jones parameters are estimated.\
?
!end of info section
242.0              !lower temperature limit [K] (based on Ttp/Tc of ref fluid)
500.0              !upper temperature limit [K]
60000.0            !upper pressure limit [kPa]
20.0               !maximum density [mol/L] (limit of ECS-thermo fit)
FEQ R134a.fld
VS1                !model for reference fluid viscosity
TC1                !model for reference fluid thermal conductivity
1                  !Lennard-Jones flag (0 or 1) (0 => use estimates)
0.5604             !Lennard-Jones coefficient sigma [nm] for ECS method
318.33             !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
2  0  0                         !number of terms in f_int term in Eucken correlation, spare1, spare2
1.70267d-03    0.0   0.0   0.0  !coeff, power of T, spare 1, spare 2
-4.91063d-07   1.0   0.0   0.0  !coeff, power of T, spare 1, spare 2
2  0  0                         !number of terms in psi (visc shape factor): poly,spare1,spare2
  1.12216d+0   0.0   0.0   0.0  !coeff, power of Tr, power of Dr, spare
 -2.73101d-2   0.0   1.0   0.0  !coeff, power of Tr, power of Dr, spare
2  0  0                         !number of terms in chi (t.c. shape factor): poly,spare1,spare2
 0.961712      0.0   0.0   0.0  !coeff, power of Tr, power of Dr, spare
 3.37897d-02    0.0   1.0   0.0 !coeff, power of Tr, power of Dr, spare
TK6                             !pointer to critical enhancement auxiliary function


@AUX               !thermal conductivity critical enhancement model
TK6  simplified thermal conductivity critical enhancement of Olchowy and Sengers
?LITERATURE REFERENCE \
?Olchowy, G.A. and Sengers, J.V.,
? "A simplified representation for the thermal conductivity of fluids in the
? critical region,"
? Int. J. Thermophysics, 10:417-426, 1989.
?\
?as applied to CO2 by:
?\
?Vesovic, V., Wakeham, W.A., Olchowy, G.A., Sengers, J.V., Watson, J.T.R.
? and Millat, J.,
? "The transport properties of carbon dioxide,"
? J. Phys. Chem. Ref. Data, 19:763-808, 1990.
?\
!end of info section
242.0              !lower temperature limit [K]
500.0              !upper temperature limit [K]
60000.0            !upper pressure limit [kPa]
20.0               !maximum density [mol/L]
9  0  0  0         !# terms:  CO2-terms, spare, spare, spare
1.0     1.0     1.0      !reducing par for T, rho, tcx (mW/m-K)
0.630d0            !gnu (universal exponent)
1.239d0            !gamma (universal exponent)
1.03d0             !R0 (universal amplitude)
0.063d0            !z (universal exponent--not used for t.c., only viscosity)
1.00d0             !c (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
0.194d-9           !xi0 (amplitude) [m]
0.0496             !gam0 (amplitude) [-]
 0.5d-09           !qd_inverse (modified effective cutoff parameter) [m] generic number, not fit to data
 618.66d+00        !tref (reference temperature)=1.5*Tc [K]


#STN        !surface tension specification
ST1  surface tension model of Schmidt et al. (1996).
?LITERATURE REFERENCE \
?Schmidt, J.W., Carrillo-Nava, E., and Moldover, M.R.,
? "Partially halogenated hydrocarbons CHFCl-CF3, CF3-CH3, CF3-CHF-CHF2,
? CF3-CH2-CF3, CHF2-CF2-CH2F, CF3-CH2-CHF2, CF3-O-CHF2: Critical temperature,
? refractive indices, surface tension and estimates of liquid, vapor and
? critical densities,"
? Fluid Phase Equilibria, 122:187-206, 1996.
?\
!end of info section
242.0              !lower temperature limit [K]
412.44             !upper temperature limit [K]
0.0                !(dummy) upper pressure limit
0.0                !(dummy) maximum density
3                           !number of terms in surface tension model
412.44                      !critical temperature used in fit (dummy)
 0.049561    1.26           !sigma0 and n
 0.055607    1.76           != sigma0 * sigma1
-0.067899    2.26           != sigma0 * sigma2


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