Theoretical study of the combustion and thermal decomposition of RDX Part I: Kinetic modeling

Document Type

Conference Proceeding

Publication Date

1-1-2007

Abstract

The thermal decomposition and combustion of the energetic propellant ingredient RDX (1,3,5-trinitrohexahydro-1,3,5-triazine) has been studied using a solid propellant combustion model and computational quantum chemical techniques. One-dimensional combustion predictions have been made and are compared using the detailed gas phase chemical mechanism commonly used for RDX up to the present, plus a recently developed mechanism. Results for burning rates vs. pressure and flame structures in terms of temperature and majority species above the solid are very similar for the two mechanisms. However, the profiles of two stable species present in trace amounts, C3N3H3 (sym-triazine) and N2O, are very different. Detailed analysis shows the initial decomposition step singled out is, quite surprisingly, very different for the two mechanisms. The reason for this is discussed. It is also newly observed that the global rate predictions are primarily sensitive to the secondary, small molecule flame chemistry, which may make pure RDX a very forgiving test-bed case used extensively in developmental stages by the solid propellant combustion modeling community. Our combustion modeling singles out key reactions differing in the mechanisms, which are being further validated in our quantum efforts.

Identifier

84946568411 (Scopus)

ISBN

[9781604239454]

Publication Title

Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2007 Chemical and Physical Processes in Combustion

First Page

3

Last Page

16

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