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    Wyświetlanie 1-3 z 3
    Tytuł:
    A Theoretical Study of Polyethylene Glycol Polynitrates as Potential Highly Energetic Plasticizers for Propellants
    Autorzy:
    Wang, Guixiang
    Xu, Yimin
    Zhang, Wenjing
    Gong, Xuedong
    Powiązania:
    https://bibliotekanauki.pl/articles/358877.pdf
    Data publikacji:
    2019
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    polyethylene glycol polynitrates
    density functional theory
    density
    specific impulse
    stability
    Opis:
    Polyethylene glycol polynitrates may be used as plasticizers in propellants. In this study, ten derivatives of ethylene glycol dinitrate were investigated using the density functional theory method. The fitted densities (ρ’exp.) were obtained and were very close to the experimental values. The detonation properties were predicted using the modified Kamlet-Jacobs equations and the specific impulse (Is) was evaluated according to the largest exothermic principle. A new indicator, K = Is · ρ’exp., is proposed to evaluate the energetic characteristics of the plasticizers. Thermal stability is discussed by calculating the bond dissociation energies or energy barriers. The O−NO2 bond is the trigger bond for all of the compounds studied. Considering the energetic properties and stability, diethylene glycol tetranitrate, triethylene glycol hexanitrate, tetraethylene glycol octanitrate, pentaethylene glycol decanitrate and hexaethylene glycol dodecanitrate are potential energetic plasticizers for solid propellants. The influences of the −O−CH2−CH2− and −O−CH(ONO2)−CH(ONO2)− groups are also discussed, which will be helpful for the design of new highly energetic plasticizers by modifying the structures as required.
    Źródło:
    Central European Journal of Energetic Materials; 2019, 16, 2; 194-215
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Prediction of the Crystalline Densities of Aliphatic Nitrates by Quantum Chemistry Methods
    Autorzy:
    Wang, Guixiang
    Xu, Yimin
    Xue, Chuang
    Ding, Zhiyuan
    Liu, Yan
    Liu, Hui
    Gong, Xuedong
    Powiązania:
    https://bibliotekanauki.pl/articles/358531.pdf
    Data publikacji:
    2019
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    aliphatic nitrate
    density
    quantum chemistry
    correlation
    Opis:
    Crystal density is a basic and important parameter for predicting the detonation performance of explosives, and nitrate esters are a type of compound widely used in the military context. In this study, thirty-one aliphatic nitrates were investigated using the density functional theory method (B3LYP) in combination with six basis sets (3-21G, 6-31G, 6-31G*, 6-31G**, 6-311G* and 6-31+G**) and the semiempirical molecular orbital method (PM3). Based on the geometric optimizations at various theoretical levels, the molecular volumes and densities were calculated. Compared with the available experimental data, the densities calculated by various methods are all overestimated, and the errors of the PM3 and B3LYP/3-21G methods are larger than those of other methods. Considering the results and the computer resources required by the calculations, the B3LYP/6-31G* method is recommended for predicting the crystalline densities of organic nitrates using a fitting equation. The results obtained with this method are slightly better than those reported by Keshavarz and Rice. In addition, the effects of various groups (such as –ONO2, –OH, –Cl, –O–, and –CH2–) on the densities are also discussed, which is helpful for the design of new molecules in terms of practical requirements.
    Źródło:
    Central European Journal of Energetic Materials; 2019, 16, 3; 412-432
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Experimental study on deformation and damage evolution of a mining roadway with weak layer rock under compression-shear load
    Autorzy:
    Song, Yimin
    Ren, He
    Xu, Hailiang
    An, Dong
    Powiązania:
    https://bibliotekanauki.pl/articles/2073861.pdf
    Data publikacji:
    2021
    Wydawca:
    Polska Akademia Nauk. Czytelnia Czasopism PAN
    Tematy:
    szczelinowanie hydrauliczne
    skała
    pękanie skały
    rock burst
    zonal fracturing
    compression-shear load
    interlayer displacement
    digital speckle correlation method
    Opis:
    The structure and load characteristics of the roadway are simplified, and the experimental model of the roadway deformation and damage under compression-shear load is established. The experimental data acquisition system is built with a CCD camera. The digital speckle correlation method is used to calculate the image data of the experimental model. The correspondence between the evolution law of the deformation field, the interlayer displacement and deformation evolution are analysed, including the dynamic characteristic of the roadway surrounding the rock. Research results indicate: (1) The damage peak load of the weak layer structure shows a decreasing trend as the interlayer shear stress increases. As the initially applied shear stress increases, the value of interlayer sliding displacement increases, and the dynamic characteristics become more apparent. (2) In the sub-instability phase of the loading curve, when the surrounding rock slides along the layers under compression-shear load, the stress is re-distributed and transmitted to the deep part of the surrounding rock. Then the surrounding rock of the roadway forms the characteristic of alternating change, between tension to compression. (3) According to the state of dynamic and static mechanics, the deformation evolution of the roadway before the peak load belongs to the static process. Zonal fracturing is part of the transition phase from the static process to the slow dynamic process, and the rockburst damage is a high-speed dynamic process. (4) Under the compression-shear load, due to the weak layer structure of the coal and rock mass, the local fracture, damage, instability and sliding of the surrounding rock of the roadway are the mechanical causes of rockburst. (5) Even if the coal and rock mass does not have the condition of impact tendency, under stress load of the horizontal direction, distribution of large shear stress is formed between layers, and the dynamic damage of the rockburst may occur.
    Źródło:
    Archives of Mining Sciences; 2021, 66, 3; 351--368
    0860-7001
    Pojawia się w:
    Archives of Mining Sciences
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-3 z 3

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