Using the ASTM CHETAH program in chemical process hazard evaluation

The CHETAH program has proven to be of great utility in the assessment of reactive chemicals hazards associated with the development of new chemicals and chemical processes. At the Dow Chemical Company, the most frequent use of the program is for the estimation of heats of reaction. Reaction heats are often the single most important parameter in reactive chemicals evaluation since most “worst case” scenarios involve the instantaneous liberation of the reaction energy. Another common use of the program is using CHETAH's unique capability to predict the “explosive” behavior of a material or mixture solely from a knowledge of its molecular structure. Several examples of day-to-day use of the program are presented. Current development activity in the ASTM subcommittee which supports CHETAH are discussed. These include new hazard evaluation criteria, better thermodynamic property estimation techniques, and user friendly versions of the program.