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 obtained from ab initio calculations. 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.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Sep 11, 2018
- Source ID
- W911NF1510202
Entities
People
- Stefan Thynell
Organizations
- Army Contracting Command
- Pennsylvania State University
- United States Army