Revised model for rdx combustion

Document Type

Conference Proceeding

Publication Date

1-1-2008

Abstract

Combustion modeling of RDX is investigated using two gas phase mechanisms, from Yetter and coworkers (Y2, Ref. 3) and from Chakraborty and coworkers (CTM, Ref. 4). Predicted burning rates and major species profiles using the two mechanisms are similar, although analysis reveals a surprising difference in the main initial RDX decomposition steps. This difference is traced to a much lower rate coefficient for the RDXR → RDXRO ring opening, which makes the ring opening step a bottleneck in CTM. HONO molecular elimination from RDX then dominates in the CTM, as opposed to NO2 scission in Y2. A second goal is to incorporate recent information from condensed phase STMBMS experiments (Ref. 6) where new species oxy-s-triazine (OST) and ONDNTA have been observed, into the mechanism. Thermodynamics and kinetics are developed for these species via quantum calculations coupled with QRRK kinetic theory for k(E) and Master Equation analysis for fall-off. A new ring opening initiation step from a twist-form isomer of RDX is also reported.

Identifier

85032337277 (Scopus)

ISBN

[9781932078930]

Publication Title

Proceedings 24th International Symposium on Ballistics Ballistics 2008

First Page

304

Last Page

311

Volume

1

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