Unexpected Primary Reactions for Thermolysis of 1,1-Diamino-2,2-dinitroethylene (FOX-7) Revealed by ab Initio Calculations

VG Kiselev, NP Gritsan - The Journal of Physical Chemistry A, 2014 - ACS Publications
The primary thermolysis reactions of a promising insensitive explosive 1, 1-diamino-2, 2-
dinitroethylene (DADNE, FOX-7) have been studied in the gas phase at a high level of …

Recent progress in aging studies of a eutectic mixture of bis (2, 2-dinitropropyl) acetal and formal nitroplasticizer

D Yang, K Chen, AS Edgar, I Matanovic, J Jung… - Polymer Degradation …, 2023 - Elsevier
A critical review is given for our past 10 years of research on the thermal degradation of a
eutectic mixture of bis (2, 2-dinitropropyl) acetal and formal (BDNPA/F), known as …

[HTML][HTML] Thermal decomposition pathways for 1, 1-diamino-2, 2-dinitroethene (FOX-7)

RS Booth, LJ Butler - The Journal of chemical physics, 2014 - pubs.aip.org
In this study, we computationally investigate the initial and subsequent steps in the chemical
mechanism for the gas-phase thermal decomposition of 1, 1-diamino-2, 2-dinitroethene …

Investigation into the Decomposition Pathways of an Acetal-Based Plasticizer

CE Freye, CJ Snyder - ACS omega, 2022 - ACS Publications
Until now, it has been assumed that the primary decomposition pathway for the liquid
plasticizer bis (2, 2-dinitropropyl) acetal and bis (2, 2-dinitropropyl) formal (BDNPA/F) was …

Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry Analysis of Eutectic Bis (2, 2-dinitropropyl) Acetal/Formal Degradation Profile: Nontargeted …

K Chen, AS Edgar, J Jung, JD Kress, CH Wong… - ACS …, 2022 - ACS Publications
In the eutectic mixture of bis (2, 2-dinitropropyl) acetal (BDNPA) and bis (2, 2-dinitropropyl)
formal (BDNPF), also known as nitroplasticizer (NP), n-phenyl-β-naphthylamine (PBNA), an …

MD-DFT Calculations on Dissociative Absorption Configurations of FOX-7 on (001)-and (101)-Oriented Crystalline Parylene Protective Membranes

W Luo, L Bian, F Dong, J Nie, J Yang - Polymers, 2024 - mdpi.com
Crystalline poly-para-xylylene (parylene) has the potential for use as a protective membrane
to delay the nucleation of explosives by separating the explosives and their decomposition …

The behavior of antioxidant irganox 1010 during the thermal degradation of a plastic bonded explosive

D Yang, DA Upshaw, AS Edgar, CJ Rosales - Polymer Degradation and …, 2022 - Elsevier
The effect of water concentration on the aging behavior of blend components in plastic
bonded explosive (PBX) 9501 is investigated when samples were aged up to 24 months …

Thermal decomposition of 1, 3, 3-trinitroazetidine (TNAZ): A density functional theory and ab initio study

JD Veals, DL Thompson - The Journal of Chemical Physics, 2014 - pubs.aip.org
Density functional theory and ab initio methods are employed to investigate decomposition
pathways of 1, 3, 3-trinitroazetidine initiated by unimolecular loss of NO 2 or HONO …

Photoinduced Intermolecular Electron Transfer in Gas Phase Ion Pairs of the 1-Ethyl-3-methylimidazolium Cation and the Bis (trifluoromethylsulfonyl) imide Anion

RS Booth, CJ Annesley - The Journal of Physical Chemistry A, 2020 - ACS Publications
In this study, the UV photodissociation of gas phase ion pairs of the ionic liquid 1-ethyl-3-
methylimidazolium bis (trifluoromethylsulfonyl) imide,[emim]+[tf2n]−, is shown to proceed …

Photodissociation of 2, 4, 6-trinitrotoluene with a Nd: YAG laser at 532nm

W Zhang, R Shen, Y Ye, L Wu, Y Hu… - … Symposium on Laser …, 2015 - spiedigitallibrary.org
2, 4, 6-Trinitrotoluene (TNT) belongs to the group of aromatic nitro compounds which have
extended use in industrial applications, in particular as explosives or additives to explosives …