the triazole crosslinked networks were determined by using Gee's theory and Flory-Rhener theory. The mechanical properties of the triazole crosslinked networks were also investigated with different contents of the dipolarophile curing agent, along with the type of dipolarophile curing agent. The networks prepared under the triazole curing system did not show good mechanical properties. However, GAP-based networks prepared under a dual curing system showed excellent mechanical properties with only a small amount of dipolarophile curing agent used. The effects of BPS and BHPB on the mechanical properties of the networks were much more distinguishable in networks prepared under a dual curing system rather than a single curing system.

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The unimolecular decomposition pathways of nbutyl nitroxyethylnitramine (BuNENA) were computationally investigated. The OÀ NO 2 bond dissociation energies (BDEs) are found to be smaller than the NÀ NO 2 BDEs. The consecutive NO 2 elimination via TSA1 is more favorable kinetically than that via TSA2 although both of them form the same intermediate of n-butyl-aminoacetaldehyde (BuAAA). Isomerization of n-butyl-nitramineethyloxidanyl radical (Bu-NEȮ) formed by homolytic cleavage of OÀ NO 2 bond was found to eliminate NO 2 with a negative bond dissociation energy. Among the NO 2 elimination pathways, the formation of C 4 H 9 NCH 2 (PB2b), CH 2 O, and NO 2 from BuNEȮ via the saddle point TSB2a was found to be the most kinetically favorable with a low activation energy barrier. In contrast, the consecutive HONO elimination is the most thermodynamically favorable with a high exothermicity (À ~H0 ). The first-principle kinetic Monte Carlo (kMC) simulations show that the NO 2 elimination of BuNEȮ via TSB2a plays an important role in driving the decomposition of BuNENA.