Hydrogen chloride !Short name 7647-01-0 !CAS number Hydrogen chloride !Full name HCl !Chemical formula Hydrogen chloride !Synonym 36.46094 !Molar mass [g/mol] 159.07 !Triple point temperature [K] 188.173 !Normal boiling point [K] 324.68 !Critical temperature [K] 8313.5 !Critical pressure [kPa] 11.87 !Critical density [mol/L] 0.129 !Acentric factor 1.079 !Dipole moment [Debye]; DIPPR DIADEM 2012 NBP !Default reference state 10.0 !Version number 1789 !UN Number :UN: other !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1S/ClH/h1H !Standard InChI String :InChi: VEXZGXHMUGYJMC-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: 74b17450 !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 M. Thol, Thermodynamics, Ruhr-Universitaet Bochum, Germany ! 05-02-11 MT, Original version. ! 05-03-11 MT, Add ancillary equations. ! 04-06-13 EWL, Add dipole moment. ! 12-24-13 EWL, Add truncated coefficients from publication. ! 03-27-14 MLH, Add preliminary transport. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 02-19-15 MT, Add final equation of state. ! 02-16-17 KG, Add ancillary equations. ! 04-03-17 MLH, Revise transport. ! 07-31-17 MT, Add second final equation of state. ! 08-04-17 MLH, revise transport ! 12-30-17 MLH, tweak in enhancement and LJ parameters ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for hydrogen chloride of Thol et al. (2018). :TRUECRITICALPOINT: 324.68 11.87 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1021/acs.jced.7b0103 ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., ? to be submitted to J. Chem. Eng. Data, 2018. ? ?Based on the available experimental data, the equation is valid from the triple ? point temperature of 159.07 K to 480 K and up to a maximum pressure of 40 MPa. ? This range can be extended to 670 K and 200 MPa with higher uncertainties based ? on the data of Franck et al. The uncertainties in density are 1.5% in the ? gaseous region, 0.5% in the liquid region, and 1% in the supercritical region. ? At higher temperatures, pressures, and densities, where only the data of Franck ? et al. are available, the uncertainty increases to at least 6%. The uncertainty ? of the second virial coefficient calculated with the present equation of state ? is estimated to be 25 cm^3/mol for T < 300 K and 15 cm^3/mol for higher ? temperatures. The uncertainties in vapor pressure are 0.5% for T < 250 K and 1% ? for higher temperatures. Based on only limited information, the uncertainty in ? the saturated liquid density is 0.5% for T < 240 K and 1% for higher ? temperatures. For the saturated vapor density, no reliable measurements are ? available. The uncertainty is 0.3% for the speed of sound except for the ? low-density region where the uncertainty increases up to 1%. ? !``````````````````````````````````````````````````````````````````````````````` 159.07 !Lower temperature limit [K] 670.0 !Upper temperature limit [K] 200000.0 !Upper pressure limit [kPa] 34.5 !Maximum density [mol/L] CPP !Pointer to Cp0 model 36.46094 !Molar mass [g/mol] 159.07 !Triple point temperature [K] 13.8284 !Pressure at triple point [kPa] 34.401 !Density at triple point [mol/L] 188.173 !Normal boiling point temperature [K] 0.129 !Acentric factor 324.68 8313.5 11.87 !Tc [K], pc [kPa], rhoc [mol/L] 324.68 11.87 !Reducing parameters [K, mol/L] 8.3144598 !Gas constant [J/mol-K] 10 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.01952802 1.0 4. 0. !a(i),t(i),d(i),l(i) 1.926809 0.553 1. 0. -2.835744 1.037 1. 0. -0.2276121 0.817 2. 0. 0.08843713 0.378 3. 0. -2.433471 1.523 1. 2. -0.2636625 2.656 3. 2. 0.6307008 1.338 2. 1. -0.6382638 2.828 2. 2. -0.006851438 0.75 7. 1. 7.363661 0.644 1. 2. 2. -1.141 -0.95 1.56 0.855 0. 0. 0. -1.262993 2.892 1. 2. 2. -1.162 -0.92 1.14 0.91 0. 0. 0. -0.006539739 0.76 3. 2. 2. -34.6 -1550. 1.06 0.942 0. 0. 0. -0.8752692 1.323 2. 2. 2. -1.175 -1.2 0.94 0.702 0. 0. 0. -3.224835 0.693 2. 2. 2. -0.99 -0.89 1.25 0.487 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 hydrogen chloride of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3144598 !Reducing parameters for T, Cp0 1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 3.5 0.0 0.0033327 300.0 0.935243 4000.0 0.209996 6300.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for hydrogen chloride of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 2.5 1.0 !ai, ti for [ai*log(tau**ti)] terms -4.0690445266807433 0.0 !aj, ti for [ai*tau**ti] terms 4.0257768311312594 1.0 !aj, ti for [ai*tau**ti] terms 0.0033327 300.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 0.935243 4000.0 0.209996 6300.0 -------------------------------------------------------------------------------- @EOS !---Equation of state--- FE1 !Helmholtz equation of state for hydrogen chloride of Thol et al. (2014). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Piazza, L., and Span, R. ? "A New Functional Form for Equations of State for Some Polar and Weakly Associating Fluids," ? Int. J. Thermophys., 35:783-811, 2014. ? !``````````````````````````````````````````````````````````````````````````````` 159.01 !Lower temperature limit [K] 330.0 !Upper temperature limit [K] 20000.0 !Upper pressure limit [kPa] 34.4 !Maximum density [mol/L] CP1 !Pointer to Cp0 model 36.460939 !Molar mass [g/mol] 131.1 !Triple point temperature [K] 14.033 !Pressure at triple point [kPa] 34.3 !Density at triple point [mol/L] 188.199 !Normal boiling point temperature [K] 0.128 !Acentric factor 324.55 8274.9 11.271514 !Tc [K], pc [kPa], rhoc [mol/L] 324.55 11.271514 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 16 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms -0.40937325 -0.75 1. 0. !a(i),t(i),d(i),l(i) 0.943994574 -0.25 1. 0. -1.78830477 1.25 1. 0. 0.128619044 0.75 2. 0. 0.00439018427 -1.0 3. 0. 0.0130480908 -0.375 3. 0. 0.00169387782 1.25 5. 0. 0.75155906 2.375 1. 1. -0.800007427 3.0 1. 1. 0.430935939 2.625 2. 1. 0.00454319457 1.875 5. 1. -0.152172259 4.5 1. 2. -0.0436174059 5.75 3. 2. -0.00970625964 5.375 4. 2. 0.0101144098 2.75 5. 2. 0.00376991644 14.5 2. 3. @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for hydrogen chloride of Thol et al. (2014). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Piazza, L., and Span, R. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314472 !Reducing parameters for T, Cp0 3 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 3.5 0.0 0.00002557348 1.0 -4.567927e-8 2.0 1.054392 4028.112 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference) for hydrogen chloride. :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 ? ?VISCOSITY ? Comparisons with the data of Krynicki, K., Hennel, J.W., "Viscosity of Liquid Ammonia and Hydrogen Chloride," Acta Phys. Pol., 24(8):269, 1963, ? suggest an estimated uncertainty of 10% for the saturated liquid phase above 240 K. ? ?THERMAL CONDUCTIVITY ? Predictive model. Limited experimental data. Values based on method of extended corresponding states; estimated uncertainty approximately 10-20%. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 159.07 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 34.39 !Maximum density [mol/L] FEQ PROPANE.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) 0.355 !Lennard-Jones coefficient sigma [nm] 257.8 !Lennard-Jones coefficient epsilon/kappa [K] 1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.0006 0. 0. 0. !Coefficient, power of T, spare1, spare2 1.32 4 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 0.615877 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare 0.55609 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare -0.337867 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare 0.0681029 0. 3. 0. !Coefficient, power of Tr, power of Dr, spare 2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2 1.57373 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.17681 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 hydrogen chloride 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: CO2-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) 0.154e-9 !Xi0 (amplitude) [m] 0.054 !Gam0 (amplitude) [-] 0.424e-9 !Qd_inverse (modified effective cutoff parameter) [m]; estimated-not fitted to data 487.0 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for hydrogen chloride of Mulero et al. (2014). :DOI: 10.1063/1.4878755 ? ?``````````````````````````````````````````````````````````````````````````````` ?Mulero, A. and Cachadiña, I., ? "Recommended Correlations for the Surface Tension of Several Fluids ? Included in the REFPROP Program," ? J. Phys. Chem. Ref. Data, 43, 023104, 2014. ? doi: 10.1063/1.4878755 ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 !Number of terms in surface tension model 324.55 !Critical temperature used in fit (dummy) 0.05994 1.0953 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for hydrogen chloride of Thol et al. (2018) ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., 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. ! 324.68 8313.5 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -6.730 1.0 !Coefficients and exponents 1.464 1.5 -1.994 3.12 1.283 3.95 -2.062 4.8 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for hydrogen chloride of Thol et al. (2018) ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., 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. ! 324.68 11.87 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 2.547 0.418 !Coefficients and exponents -0.631 1.12 1.750 1.86 -1.922 2.66 1.030 3.57 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for hydrogen chloride of Thol et al. (2018) ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Dubberke, F.H., Baumhögger, E., Span, R., and Vrabec, J., 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. ! 324.68 11.87 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -2.5676 0.417 !Coefficients and exponents -4.1055 0.923 -12.068 2.57 -29.03 5.54 -54.93 10.5 -222.7 23.3 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890