Please use this identifier to cite or link to this item:
Title: Secondary channels in the thermal decomposition of monomethylhydrazine (CH3NHNH2)
Authors: Zhang, P 
Klippenstein, SJ
Harding, LB
Sun, HY
Law, CK
Issue Date: 2014
Publisher: Royal Society of Chemistry
Source: RSC advances, 2014, v. 4, no. 108, p. 62951-62964 How to cite?
Journal: RSC advances 
Abstract: Mass spectrometric observations in a very low pressure pyrolysis study (Golden et al., Int. J. Chem. Kinet., 1972, 4, 433-448) of the decomposition of the prototypical rocket fuel monomethylhydrazine (MMH) indicated a dominant role for the molecular channels producing NH3 and H-2 and their coproducts. In contrast, a recent ab initio transition state theory based master equation theoretical study (Zhang et al., Proc. Combust. Inst., 2011, 33, 425-432) indicated that simple N-N and C-N bond fissions dominate the kinetics. The possible role of molecular decomposition channels in MMH is explored further through additional investigations of the potential energy surface. These investigations consider the role of triplet channels, of roaming radical channels, and of some previously unexplored pathways for molecular decomposition. New ab initio transition state theory based master equation calculations provide revised predictions for the temperature and pressure dependence of the MMH decomposition kinetics that are in excellent agreement with recent shock tube measurements (Li et al., Comb. Flame, 2014, 161, 16-22). These calculations continue to suggest only a very limited contribution from the molecular elimination channels. A roaming pathway is suggested to provide the dominant route for direct formation of ammonia. The possible role of secondary abstraction reactions in the very-low-pressure pyrolysis experiments is briefly discussed.
EISSN: 2046-2069
DOI: 10.1039/c4ra13131b
Appears in Collections:Journal/Magazine Article

View full-text via PolyU eLinks SFX Query
Show full item record


Last Week
Last month
Citations as of Nov 8, 2018


Last Week
Last month
Citations as of Nov 14, 2018

Page view(s)

Last Week
Last month
Citations as of Nov 19, 2018

Google ScholarTM



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.