JANAF

Chase, M. W. Jr., 1998. NIST-JANAF Themochemical Tables, 4th ed., J. Phys. Chem. Ref. Data, Monograph 9, 1. 

References D. D. Wagman, et ah, The NBS Tables of Chemical Thermodynamic Properties, in J. Phys. Chem. Ref. Data, 11 2,1982 M. W. Chase, et ah, JANAF Thermochemical Tables, 3rd ed., American Chemical Society and the American Institute of Physics, 1986 (supplements to JANAF appear in J. Phys. Chem. Ref. Data) Thermodynamic Research Center, TRC Thermodynamic Tables, Texas A M University, College Station, Texas I. Barin and O. Knacke, Thermochemical Properties of Inorganic Substances, Springer-Verlag, Berlin, 1973 J. B. Pedley, R. D. Naylor, and S. P. Kirby, Thermochemical Data of Organic Compounds, 2nd ed.. Chapman and Hall, London, 1986 V. Majer and V. Svoboda, Enthalpies of Vaporization of Organic Compounds, International Union of Pure and Applied Chemistry, Chemical Data Series No. 32, Blackwell, Oxford, 1985. 

JANAF Thermochemical Tables, NSRDA-NBS37, 2nd ed., NBS, Washington D.C., 1971. 

Thermochemistry. Thermodynamic considerations ate of utmost importance in fluorinations. Table 1 is based on JANAF data (25) for CH, which indicate an average carbon-hydrogen bond strength of 410.0 kj/mol (98 kcal/mol) based on the atomization energy of CH. ... 

D. R. Stull and co-eds, JANAF Thermochemical Tables, 2nd ed., NSRDS-NBS37, U. S. Government Printing Office, Washington, D.C., June 1971, and subsequent revisions. 

JANAF Interim Thermochemical Tables, Thermal Laboratory, The Dow Chemical Co., Midland, Mich., Mar. 31,1961. 

Converted and usually rounded off from JANAF Thermochemical Tables, NSRDS-NBS-37, 1971 (1141 pp.)... 

Usually rounded off from JANAF Thermochemical Tables, NSRDS-NBS-37, 1971 (1141 ppj- Equilibrium constants can he calculated hy combining AhJ values from Table 2-221, h-r— ho is from Table 2-222, and 5 values from the above, using the formula In kp = —AG/(RT), where AG = AhJ + hj — /i29s) T . 

Heat Capacity, C° Heat capacity is defined as the amount of energy required to change the temperature of a unit mass or mole one degree typical units are J/kg-K or J/kmol-K. There are many sources of ideal gas heat capacities in the hterature e.g., Daubert et al.,"" Daubert and Danner,JANAF thermochemical tables,TRC thermodynamic tables,and Stull et al. If C" values are not in the preceding sources, there are several estimation techniques that require only the molecular structure. The methods of Thinh et al. and Benson et al. " are the most accurate but are also somewhat complicated to use. The equation of Harrison and Seaton " for C" between 300 and 1500 K is almost as accurate and easy to use ... 

Ideal gas absolute entropies of many compounds may be found in Daubert et al.,"" Daubert and Danner," JANAF Thermochemical Tables,TRC Thermodynamic Tables,and Stull et al. ° Otherwise, the estimation method of Benson et al. " is reasonably accurate, with average errors of 1-2 J/mol K. Elemental standard-state absolute entropies may be found in Cox et al." Values from this source for some common elements are listed in Table 2-389. ASjoqs may also be calculated from Eq. (2-52) if values for AHjoqs and AGJoqs are known. 

Table 4.3 summarizes values taken from the JANAF tables for the Gibbs free energy functions and standard enthalpies of formation for a few common substances. The JANAF tables provide a more complete tabulation. 

M. W. Chase, Jr., C. A. Davies. J. R. Downey. Jr.. D. J. Fryrip. R. A. McDonald, and A. N. Syverud, JANAF Thermochemical Tables. Third Edition. Part 1. Al-Co and Part 2 Cr-Zr , J. Phys. Chem. Ref. Data. 14. 1985, Supplement No. 1. Other more specialized tables can be found, along with individual references, in the literature. 

Thermodynamic Functions of the Gases. To apply Eqs. (1-10), the free energies of formation, Ag , for all gaseous species as a function of temperature are required. Tabulated data were fit by a least-squares procedure to derive an analytical equation for AG° of each vapor species. For the plutonium oxide vapor species, the data calculated from spectroscopic data (3 ) were used for 0(g) and 02(g), the JANAF data (.5) were used and for Pu(g), data from the compilation of Oetting et al. (6) were used. The coefficients of the equations for AG° of the gaseous species are included in Table I. 

The changes in free energy of formation of Reaction (1) are shown in Fig. 2.1 as a function of temperature. " The values of AG were calculated using Eq. (1) above for each temperature. The Gibbs free-energy values of the reactants and products were obtained from the JANAF Tables.1 Other sources of thermodynamic data are listed inRef 6. These sources are generally accurate and satisfactory forthe thermodynamic calculations of most CVD reactions they are often revised and expanded. 

Chase, M. V., JANAF Thermochemical Tables, 13(1), American Chem. Soc. Am. Inst, of Physics (1985)... 

Specific heat of each species is assumed to be the function of temperature by using JANAF [7]. Transport coefficients for the mixture gas such as viscosity, thermal conductivity, and diffusion coefficient are calculated by using the approximation formula based on the kinetic theory of gas [8]. As for the initial condition, a mixture is quiescent and its temperature and pressure are 300 K and 0.1 MPa, respectively. 

The needed thermochemistry for many thousands of molecules is available from standard sources such as the JANAF tables. " Polynomial fits of this data in the form required by our kinetics software are also available. However, experimental thermochemical data is often lacking for many of the intermediate species that should be included in a detailed kinetics mechanism. Standard methods have been developed for estimating these properties, discussed in detail by Benson. ... 

JANAF Thermochemical Tables, Natl. Stand. Ref. Data Ser. NSRDS-NBS 37, (1971) also Dow Chemical Company, distributed by Clearinghouse for Federal Scientific and Technical Information, PB168370 (1965) and subsequent updates. 

Reactivity (instability) information Acceleration rate calorimetry Differential thermal analysis (DTA) Impact test Thermal stability Lead block test Explosion propagation with detonation Drop weight test Thermal decomposition test Influence test Self-acceleration temperature Card gap test (under confinement) JANAF Critical diameter Pyrophoricity... 

Self-acceleration temperature Card gap test (under confinement) JANAF... 

JANAF Thermochemical Tables, Stull, D. R., Prophet, H., National Bureau of Standards, 2nd edn., 1971... 

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