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Predecitive methods for determining the thermal decomposition properties of hazardous substances
(2017)
For substance classes like organic peroxides and self-reactive substances a model should be developed to predict thermal decomposition properties like the Self-Accelerating Decomposition Temperature (SADT). The applied Quantative Structur-Property Relationship (QSPR) model correlates the molecular structur with the properties of the substances, whereby a consolidated database is a precondition for a reliable model and finally for the prediction.