Computerized Screening of Chemicals for Energy Release Hazards

摘要

The computer program CHETAH is described. The program is unique in that it predicts the energy release hazards of pure chemicals or mixtures. CHETAH has a 25 year history of successful application and continues to be refined by ASTM Committee E27.07. Examples of CHETAH's use are given. The program also has a sizable database of thermochemical properties and makes predictions of thermochemical properties based on molecular structure. The accuracy of CHETAH for reactive hazard prediction is assessed against a test database.