Estimation of Explosive Hazard by Computer

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Title: Estimation of Explosive Hazard by Computer
Creators: Treweek, Dale N.; Pardue, William M.; Hoyland, James R.; Alexander, Carl A.; Seaton, William H.; Freedman, Eli
Issue Date: 1978-09
Citation: The Ohio Journal of Science. v78, n5 (September, 1978), 245-254
Abstract: Four parameters from the American Society for Testing and Materials' computer program CHETAH were used to predict energy hazard potential, as denned by consensus grading, into three stability (self-reactivity) categories—nonhazardous chemicals, chemicals capable of hazardous polymerizations or decompositions, and explosives. Out of 34 chemicals for which there was consensus agreement, 31 were correctly assigned to their known classes to yield a total error of 9%—all overestimated. An additional 11 chemicals for which the consensus ratings disagreed were also classified, and appeared to be consistent with one or the other consensus ratings. The addition of two other parameters, heat of polymerization and resonance stabilization of the free radical, reduced the error to one chemical. Classification of over a hundred chemicals, for which the ASTM has compiled experimental shock sensitivity data, falls into 2 categories: nonexplosives and explosives. Using the 4 CHETAH parameters and one structural parameter resulted in total error of about 5%, with the majority of the error being overestimation of hazard potential. It is concluded that the CHETAH program will estimate the self-reactivity hazard of any organic chemical (with 3 or more carbon atoms) with nil underestimation error, and less than 4% overestimation error.
Description: Author Institution: Hazardous Materials & Chemicals; Battelle-Columbus Laboratories; Tennessee Eastman Company; American Society for Testing and Materials, Committee #-27
ISSN: 0030-0950
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