@inproceedings{7f89d3f498dd4ffcb6214f32523d504a,
title = "Revised model for rdx combustion",
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.",
author = "Anderson, \{W. R.\} and Conner, \{C. B.\} and \{Da Silva\}, G. and R. Asatryan and Bozzelli, \{J. W.\}",
year = "2008",
language = "English",
series = "Proceedings - 24th International Symposium on Ballistics, BALLISTICS 2008",
publisher = "DEStech Publications Inc.",
pages = "304--311",
editor = "Stephan Bless and James Walker",
booktitle = "Proceedings - 24th International Symposium on Ballistics, BALLISTICS 2008",
note = "24th International Symposium on Ballistics, BALLISTICS 2008 ; Conference date: 22-09-2008 Through 26-09-2008",
}