Experimental and Quantum Mechanics Investigations for the Development of a Liquid-phase Chemical Reaction Mechanism of RDX
Abstract
The primary objective of this investigation is to develop a detailed liquid-phase decomposition mechanism of RDX, which includes only elementary reactions. As part of this effort, the liquid-phase RDX mechanism will be used in an ignition and combustion code to predict the flame structure, burn rate and temperature sensitivity of the monopropellant. The liquid-phase RDX mechanism will also be integrated with a chemical kinetics mechanism of a burn-rate modifier, in order to examine the burning behavior of a pseudo-propellant. A liquid-phase decomposition mechanism of the burn-rate modifier, based on elementary chemical reactions, will also be formulated. The integration of these two ingredients will also require the identification of transition states for additional gas-phase, elementary reactions in the ignition and combustion model. The project was extended to include development of reaction mechanisms for HMX and TAGzT, including their interactions during the condensed-phase decomposition. The reaction mechanisms for RDX, HMX, and TAGzT were validated.
Document Details
- Document Type
- Technical Report
- Publication Date
- May 11, 2023
- Accession Number
- AD1226044
Entities
People
- Stefan T. Thynell
Organizations
- Pennsylvania State University