About: The mitigation effect of synthetic polymers on initiation reactivity of CL-20: physical models and chemical pathways of thermolysis

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About: The mitigation effect of synthetic polymers on initiation reactivity of CL-20: physical models and chemical pathways of thermolysis Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The thermal decomposition physical models of different CL-20 polymorph crystals and their polymer bonded explosives (PBXs) bonded by polymeric matrices using polyisobutylene (PIB), acrylonitrile butadiene rubber (NBR), styrene butadiene rubber (SBR), Viton A, and Fluorel binders are obtained and used to predict the temperature profiles of constant rate decomposition. These models are supported by the detailed decomposition pathways simulated by a reactive molecular dynamics (ReaxFF-lg) code. Compared to fluoropolymers, PIB, SBR and NBR may make epsilon-CL-20 undergo more complete N-NO2 scission before collapse of the cage structure. This is likely the main reason why those polymer bases could greatly mitigate the decomposition process of epsilon-CL-20 from a single step to a multistep, resulting in lower impact sensitivity, whereas fluoropolymers have only a little effect on that. The thermal decomposition physical models of different CL-20 polymorph crystals and their polymer bonded explosives (PBXs) bonded by polymeric matrices using polyisobutylene (PIB), acrylonitrile butadiene rubber (NBR), styrene butadiene rubber (SBR), Viton A, and Fluorel binders are obtained and used to predict the temperature profiles of constant rate decomposition. These models are supported by the detailed decomposition pathways simulated by a reactive molecular dynamics (ReaxFF-lg) code. Compared to fluoropolymers, PIB, SBR and NBR may make epsilon-CL-20 undergo more complete N-NO2 scission before collapse of the cage structure. This is likely the main reason why those polymer bases could greatly mitigate the decomposition process of epsilon-CL-20 from a single step to a multistep, resulting in lower impact sensitivity, whereas fluoropolymers have only a little effect on that. (en)
Title	The mitigation effect of synthetic polymers on initiation reactivity of CL-20: physical models and chemical pathways of thermolysis The mitigation effect of synthetic polymers on initiation reactivity of CL-20: physical models and chemical pathways of thermolysis (en)
skos:prefLabel	The mitigation effect of synthetic polymers on initiation reactivity of CL-20: physical models and chemical pathways of thermolysis The mitigation effect of synthetic polymers on initiation reactivity of CL-20: physical models and chemical pathways of thermolysis (en)
skos:notation	RIV/00216275:25310/14:39898683!RIV15-MSM-25310___
http://linked.open...avai/riv/aktivita	I S
http://linked.open...avai/riv/aktivity	I, S
http://linked.open...iv/cisloPeriodika	40
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Zeman, Svatopluk Elbeih, Ahmed Ikhlas Mohamed Yan, Qi Long
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Pardubice / Fakulta chemicko-technologická
http://linked.open...dnocenehoVysledku	29555
http://linked.open...ai/riv/idVysledku	RIV/00216275:25310/14:39898683
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	crystal-structure; mass-spectrometry; force-field; energetic materials; thermal-decomposition; combined kinetic-analysis; plastic bonded explosives; attractive cyclic nitramines; molecular-dynamics simulations (en)
http://linked.open.../riv/klicoveSlovo	attractive cyclic nitramines combined kinetic-analysis crystal-structure energetic materials plastic bonded explosives force-field mass-spectrometry molecular-dynamics simulations thermal-decomposition
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[CF34501E17E5]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry C
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	118
http://linked.open...iv/tvurceVysledku	Elbeih, Ahmed Ikhlas Mohamed Zeman, Svatopluk Yan, Qi Long Zhang, Tong-Lai Perez-Maqueda, L. A. Sanchez Jimenez, P. E.
http://linked.open...ain/vavai/riv/wos	000343016800008
issn	1932-7447
number of pages	15 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/jp505955n
http://localhost/t...ganizacniJednotka	25310

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