An Integrated Experimental and Modeling Approach for Assessing High-Temperature Decomposition Kinetics of Explosives.

ABSTRACT: We present a new integrated experimental and modeling effort that assesses the intrinsic sensitivity of energetic materials based on their reaction rates. The High Explosive Initiation Time (HEIT) experiment has been developed to provide a rapid assessment of the high-temperature reaction kinetics for the chemical decomposition of explosive materials. This effort is supported theoretically by quantum molecular dynamics (QMD) simulations that depict how different explosives can have vastly different adiabatic induction times at the same temperature. In this work, the ranking of explosive initiation properties between the HEIT experiment and QMD simulations is identical for six different energetic materials, even though they contain a variety of functional groups. We have also determined tha

SUBMITTER: Manner VW 

PROVIDER: S-EPMC11440486 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature