Zobrazit minimální záznam
dc.contributor.author |
Yan, Qi-Long |
|
dc.contributor.author |
Zeman, Svatopluk |
|
dc.contributor.author |
Zhang, Jian-Guo |
|
dc.contributor.author |
He, Piao |
|
dc.contributor.author |
Musil, Tomáš |
|
dc.contributor.author |
Bartošková, Monika |
|
dc.date.accessioned |
2014-12-16T16:06:44Z |
|
dc.date.available |
2014-12-16T16:06:44Z |
|
dc.date.issued |
2014 |
|
dc.identifier.issn |
1463-9076 |
|
dc.identifier.issn |
1463-9084 |
|
dc.identifier.uri |
http://hdl.handle.net/10195/58489 |
|
dc.description.abstract |
The thermal behavior, decomposition kinetics and mechanisms of 1-amino-1-(tetrazol-5-yldiazenyl) guanidine (tetrazene) and 2-(tetrazol-5-yldiazenyl) guanidine (MTX-1) have been investigated using DSC, TG techniques, and quantum chemical calculations. It has been found that MTX-1 is much more stable than tetrazene and MTX-1, and both of them decompose in three steps with different kinetic parameters. Tetrazene is melted-dehydrated at 128.4 °C with a heat absorption of 50 J g−1 and then it starts to decompose at around 118.6 °C with a peak temperature of 126.3 °C covered by a heat release of 1037 J g−1 at a heating rate of 1.0 °C min−1, while MTX-1 starts at 167.7 °C with a main peak of 191.1 °C covered by a heat change of 1829 J g−1 under the same conditions. The activation energy is almost the same for their first decomposition steps (225 kJ mol−1), which are controlled by a three dimensional nucleation and growth model (A3). The mechanisms of the rate-limiting steps are supported by quantum chemical calculations. They could undergo a similar rate-limiting chemical process producing 1H-tetrazole and N2 for both cases, while the former also produces aminocyanamide and the latter produces cyanamide. |
eng |
dc.format |
p. 24282-24291 |
eng |
dc.language.iso |
eng |
|
dc.publisher |
Royal Society of Chemistry |
cze |
dc.relation.ispartof |
Physical Chemistry Chemical Physics. 2014, vol. 16, issue 44 |
eng |
dc.rights |
open access |
eng |
dc.title |
Multi-stage decomposition of 5-aminotetrazole derivatives: kinetics and reaction channels for the rate-limiting steps |
cze |
dc.type |
Article |
cze |
dc.peerreviewed |
yes |
eng |
dc.publicationstatus |
published |
eng |
dc.identifier.doi |
10.1039/C4CP03479A |
|
dc.relation.publisherversion |
http://pubs.rsc.org/en/Content/ArticleLanding/2014/CP/C4CP03479A#!divAbstract |
|
dc.rights.licence |
This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence http://creativecommons.org/licenses/by-nc/3.0/ |
eng |
dc.identifier.wos |
000344249400018 |
|
dc.identifier.scopus |
2-s2.0-84908141180 |
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