The mitigation effect of synthetic polymers on initiation reactivity of CL-20: physical models and chemical pathways of thermolysis
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F14%3A39898683" target="_blank" >RIV/00216275:25310/14:39898683 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/jp505955n" target="_blank" >http://dx.doi.org/10.1021/jp505955n</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp505955n" target="_blank" >10.1021/jp505955n</a>
Alternative languages
Result language
angličtina
Original language name
The mitigation effect of synthetic polymers on initiation reactivity of CL-20: physical models and chemical pathways of thermolysis
Original language 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 tofluoropolymers, 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-20from a single step to a multistep, resulting in lower impact sensitivity, whereas fluoropolymers have only a little effect on that.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
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Volume of the periodical
118
Issue of the periodical within the volume
40
Country of publishing house
US - UNITED STATES
Number of pages
15
Pages from-to
22881-22895
UT code for WoS article
000343016800008
EID of the result in the Scopus database
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