Thermodynamic data, CHETAH

Although CHETAH was designed primarily as a hazard evaluation tool, the thermodynamic data generated is of high enough quality to allow other applications. 

In summary, we would like to emphasize the two current capabilities of the CHETAH program. The first is the estimation of gas phase thermodynamic data over the range of 25-1200°C, using Benson s second order group contribution method. The second capability of CHETAH is a hazard appraisal. This uses thermodynamic data to... 

This computer program calculates the thermodynamic data of molecules, of free radicals and of radical reactions in the gas phase between 300 and 5000 K by BENSON S methods. It also determines the CHETAH safety criteria. 

CHETAH-The MSTM Chemical Thermodynamic and Energy Release Evaluation Program, ASTM Data Series Pubheation DS 51, American Society for Testing Materials, Philadelphia, 1974, original, updated. 

American Society for Testing and Materials (ASTM) (1994). CHETAH, Version 7-0 The ASTM Computer Program for Chemical Thermodynamic and Energy Release Evaluation. ASTM Data Series DS 51B. Philadelphia, PA American Society for Testing and Materials. 

Seaton, W. H., Freedman, E., and Treweek, D. N., "CHETAH - The ASTM Chemical Thermodynamic and Energy Release Evaluation Program", ASTM Data Series Publication DS-51, 1974. 

All the thermodynamic calculations performed by CHETAH are for species in the gas phase. Since most chemical processing is carried out in the condensed phase this may seem a weakness. However, in most cases the deviations from the condensed phase values are either too small to affect the result significantly or can be estimated by other means. Also, the correlations used in the hazard evaluation section of the program are based on experimental data for condensed phase species. 

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