Multi-stage decomposition of 5-aminotetrazole derivatives: kinetics and reaction channels for the rate-limiting steps

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


Tento záznam se objevuje v následujících kolekcích

Zobrazit minimální záznam

Vyhledávání


Rozšířené hledání

Procházet

Můj účet