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Wyszukujesz frazę "co-crystal" wg kryterium: Temat


Wyświetlanie 1-2 z 2
Tytuł:
Three Insensitive Energetic Co-crystals of 1-Nitronaphthalene, with 2,4,6-Trinitrotoluene (TNT), 2,4,6-Trinitrophenol (Picric Acid) and D-Mannitol Hexanitrate (MHN)
Autorzy:
Hong, D.
Li, Y.
Zhu, S.
Zhang, L.
Pang, C.
Powiązania:
https://bibliotekanauki.pl/articles/1063066.pdf
Data publikacji:
2015
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
co-crystal
insensitive energetic material
crystal structure
explosive properties
Opis:
Co-crystallization is proposed as an effective method to alter the physicochemical properties of energetic materials, e.g. density, sensitivity and solubility. As reported in this paper, it was found that 1-nitronaphthalene could form cocrystals with TNT, picric acid and MHN in a 1:1 molecular ratio. The sensitivity and thermal stability of the 1-nitronaphthalene co-crystals was greatly improved compared with that of pure TNT, picric acid and MHN. In addition, the melting points of TNT, picric acid and MHN were lowered through co-crystallization with 1-nitronaphthalene. The electrostatic potential surface of 1-nitronaphthalene, calculated by the DFT method, showed that the electron-rich 1-nitronaphthalene has a tendency to be a proton donor and to co-crystallize with other energetic materials. The structures of the co-crystals of 1-nitronaphthalene with TNT and picric acid were characterized by single crystal X-ray diffraction (SXRD). The 1-nitronaphthalene/MHN co-crystal was studied by powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC) and FTIR.
Źródło:
Central European Journal of Energetic Materials; 2015, 12, 1; 47-62
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Molecular Dynamics Simulation Studies of the CL-20/DNB Co-crystal
Autorzy:
Sun, T.
Xiao, J. J.
Ji, G. F.
Zhao, F.
Xiao, H. M.
Powiązania:
https://bibliotekanauki.pl/articles/358075.pdf
Data publikacji:
2016
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
CL-20/DNB co-crystal
composite
interactions
mechanical properties
molecular dynamics simulation
Opis:
Molecular dynamics (MD) simulation was conducted for a DNB (1,3-dinitrobenzene) crystal, a ε-CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) crystal, a CL-20/DNB co-crystal and a CL-20/DNB composite. From the calculated maximum bond length (Lmax) of the N−NO2 trigger bond, the cohesive energy density (CED) and the binding energy (Ebind), it was found that the CL-20/DNB co-crystal is more insensitive than its composite. Its thermal stability is also better than that of its composite. The pair correlation function (PCF) analysis method was applied to investigate the interfaces between different molecular layers in the CL-20/DNB co-crystal, and in the composite. Additionally, the calculated mechanical data showed that the moduli of the CL-20/DNB co-crystal and its composite are smaller and their elastic elongation and ductility are better than those of the ε-CL-20 and DNB crystals.
Źródło:
Central European Journal of Energetic Materials; 2016, 13, 3; 677-693
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-2 z 2

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