Abstract: Provided is a method to initiate and analyze chemical derivatives formed from pyrotechnic smoke reactions. Milligram quantities of a lab-scale pyrotechnic smoke composition are reacted by encapsulation with a metal probe that is rapidly heated, which then sublimes the organic dye, allowing for the testing of all of the gas-phase products for identification by pyrolysis-gas chromatography-mass spectrometry. The thermally decomposed ingredients and new side product derivatives are identified at lower relative abundances compared to the intact organic dye. Any remaining residues within the thermal probe are optionally reconstituted into solution for further analysis by liquid chromatography-mass spectrometry if desired. The results are processed via a machine learning quantitative structure-activity relationship model that provides data related to health and environmental hazards.

Abstract: The invention relates to a method and apparatus for evaluating reaction molecular byproducts of pyrotechnic reactions. A closed calorimetry bomb holds pyrotechnic material, which is detonated by a charge. The calorimetry bomb is vented directly into a gas chromatography machine, where gas phase molecules are separated based on their polarity. The separated molecules are then injected into a mass spectrometer and characterized by their mass fragmentation. The remaining residual solids within the bomb are extracted and injected into a liquid chromatography instrument where they are separated by their polarity. The separated molecules are then injected into a mass spectrometer and characterized by their mass fragmentation pattern. The method provides a complete picture of the reaction pathways and products to aid in regulatory compliance of incorporating energetic materials into real-world applications, particularly those in the family of PFAS containing compositions.

Abstract: The invention relates to a method and apparatus for evaluating reaction molecular byproducts of pyrotechnic reactions. A closed calorimetry bomb holds pyrotechnic material, which is detonated by a charge. The calorimetry bomb is vented directly into a gas chromatography machine, where gas phase molecules are separated based on their polarity. The separated molecules are then injected into a mass spectrometer and characterized by their mass fragmentation. The remaining residual solids within the bomb are extracted and injected into a liquid chromatography instrument where they are separated by their polarity. The separated molecules are then injected into a mass spectrometer and characterized by their mass fragmentation pattern. The method provides a complete picture of the reaction pathways and products to aid in regulatory compliance of incorporating energetic materials into real-world applications, particularly those in the family of PFAS containing compositions.