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Molecular Structure Aspects of Initiation of some Highly Thermostable Polynitro Arenes

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F06%3A00004075" target="_blank" >RIV/00216275:25310/06:00004075 - isvavai.cz</a>

  • Alternative codes found

    RIV/00216305:26310/06:PU63730

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Molecular Structure Aspects of Initiation of some Highly Thermostable Polynitro Arenes

  • Original language description

    The paper is focused on 2,4,6,4´,6´,2˝,4˝,6˝-octanitro[1,1´,3´,1˝]-terphenyl (ONT), 2,2´,2˝,4,4´,4˝,6,6´,6˝-nonanitro[1,1´,3´,1˝]-terphenyl (NONA), 2,4,6-tris(2,4,6-trinitrophenyl)-1,3,5-triazine (TPT), N,N-bis(2,4-dinitrophenyl)-2,4,6-trinitroaniline (NTFA), 1,3,7,9-tetranitro[l,2,3]benzotriazolo[2,l-a][l,2,3]benzotriazole-5,11-diium-6,12-diide (TACOT-Z), 2,2´,4,4´,6,6´-hexanitrobiphenyl (HNB), 1,3-dinitrobenzene (1,3-DNB) and 1,3,5-trinitrobenzene (TNB). and 2,4,6-triamino-1,3,5-trinitrobenzene (TATB). The initiation reactivity of these substances has been studied by means of the data obtained from non-isothermal differential thermal analysis (DTA), their ignition temperatures, impact sensitivity, the data obtained from the Russian manometric method,the detonation characteristics, DFT B3LYP/6-31G(d,p) charges on the nitrogen atoms of nitro group qN(NO2) and net charges of these groups Q(NO2). For comparison, also the data published and calculated on 2,2´,2˝,2´˝,4,4´,4˝,4´˝,6,6´,6˝,6

  • Czech name

    Molekulárně-strukturní aspekty iniciace některých vysoce tepelně stálých polynitroarenů

  • Czech description

    Práce se zabývá 2,4,6,4´,6´,2˝,4˝,6˝-octanitro[1,1´,3´,1˝]-terfenylem (ONT), 2,2´,2˝,4,4´,4˝,6,6´,6˝-nonanitro[1,1´,3´,1˝]-terfenylem (NONA), 2,4,6-tris(2,4,6-trinitrophenyl)-1,3,5-triazinem (TPT), N,N-bis(2,4-dinitrofhenyl)-2,4,6-trinitroanilinem (NTFA), 1,3,7,9-tetranitro[l,2,3]benzotriazolo[2,l-a][l,2,3]benzotriazole-5,11-diium-6,12-diidme (TACOT-Z), 2,2´,4,4´,6,6´-hexanitrobifhenylem (HNB), 1,3-dinitrobenzenem (1,3-DNB),1,3,5-trinitrobenzenem (TNB). a 2,4,6-triamino-1,3,5-trinitrobenzenme (TATB). Iniciační reaktivita těchto polynitroarenů byla studována s použitím dat neizotermické diferenční termické analýzy (DTA), jejich teplot vzbuchu, citlivostí k nárazu, údajů z ruské manometrické methody, detonačních charakteristik, DFT B3LYP/6-31G(d,p) nábojů na dusících nitroskupin, qN, a celkových nábojů nitroskupin, Q(NO2). Pro porovnání byla také použita publikovaná data 2,2´,2˝,2´˝,4,4´,4˝,4´˝,6,6´,6˝,6´˝-dodecanitro-[1,3´,1´,1˝]quaterfenylu (DODECA). Práce specifikuje a diskutuje vztah

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

Result continuities

  • Project

    <a href="/en/project/FT-TA%2F049" target="_blank" >FT-TA/049: *Industrial application of explosives.</a><br>

  • Continuities

    Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2006

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Thermochimica Acta

  • ISSN

    0040-6031

  • e-ISSN

  • Volume of the periodical

    neuvedeno

  • Issue of the periodical within the volume

    451

  • Country of publishing house

    NL - THE KINGDOM OF THE NETHERLANDS

  • Number of pages

    10

  • Pages from-to

    105-114

  • UT code for WoS article

  • EID of the result in the Scopus database