Calculate chemical thermodynamics, energy release, flammability, and chemical equilibrium.

What is it about?

The CHETAH (Chemical Thermodynamic and Energy Release) software program is a unique tool for predicting both thermochemical properties and certain reactive chemicals hazards associated with pure chemical, a mixture of chemicals, or a chemical reaction. This is accomplished through knowledge of only the molecular structure(s) of the components involved by an implementation of Benson's method of group additivity. CHETAH is useful for classifying materials for their ability to decompose with violence, for estimating heats of reaction or combustion, for prediction of chemical equilibrium, and for predicting lower flammable limits.

Featured Image

Photo by Max Kukurudziak on Unsplash

Photo by Max Kukurudziak on Unsplash

Why is it important?

NASA Lewis chemical equilibrium calculations are now available for the first time within CHETAH. This allows the user to predict equilibrium compositions, pressures, and temperatures of a user selected list of reactants. The extensive database of chemicals within the CHETAH databases can be used as reactant chemicals. Also, chemicals not in the databases or even in the published literature can be entered as reactants by making use of the Benson group molecular fragment database.