Thermodynamics of SF6 and Its Decomposition and Oxidation Products.
Rept. for Jan-Mar 68,
AEROSPACE CORP EL SEGUNDO CA LAB OPERATIONS
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Molecular parameters are estimated for the sulfur-fluorine species SF, SF2, SF3, SF5, and S3. A normal-coordinate analysis is performed for SF5 on the basis of a model having D3h symmetry. Recent spectroscopic data for SF4, SF6, S2F2, S2, S8, SOF2, SOF4, and SO2F2, along with the approximate molecular structure data, are used to calculate the thermodynamic functions in the ideal-gas state from 50K to 6000K for thirteen sulfur-fluorine-containing species. Corrections are made to the rigid rotator-harmonic oscillator approximation for anharmonicity only for the diatomic species. Values of the heats of formation at 298.15K are presented for sulfur-fluorine species, along with the relevant references. These thermochemical data and thermodynamic functions are used to calculate the equilibrium composition of a sulfur hexafluoride system. The temperature range is 1000K to 3000K, and the pressure is 1 atm. The results show that the principal sulfur-fluorine species are as follows SF4 in the temperature range 1000K to 1500K, SF4 and SF3 in the range 1500K to 2000K, and SF2 and SF at temperature above 2000K. Author
- Atomic and Molecular Physics and Spectroscopy