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Wyświetlanie 1-8 z 8
Tytuł:
Polymer Reinforced DNAN/RDX Energetic Composites: Interfacial Interactions and Mechanical Properties
Autorzy:
Qian, W.
Chen, X.
Luo, G.
Powiązania:
https://bibliotekanauki.pl/articles/358170.pdf
Data publikacji:
2017
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
energetic composites
dinitroanisole
molecular dynamics
interfacial interactions
mechanical properties
Opis:
2,4-Dinitroanisole (DNAN) has excellent properties as a replacement for 1,3,5-trinitrotoluene (TNT) in melt-cast explosives, and the polymeric modifier used is critical to the mechanical modification of the DNAN/RDX energetic composite. In our research, the typical polymeric modifier acrolein-pentaerythritol resin (APER) was successfully added experimentally to the DNAN/RDX system, and the effects of interfacial interactions on the mechanical properties of these polymers in reinforcing the DNAN/RDX energetic composites were investigated by molecular dynamics simulations, scanning electron microscopy (SEM) and mechanical testing. The results showed that strong attractive interactions exist between the polymer and the explosives, wherein van der Waals forces were found to play the main role. The morphological micro-images also showed tight binding between the polymer/explosive interfaces, which supported the calculated strong interfacial interactions. The mechanical tests confirmed that adding the polymers can obviously reinforce the mechanical strength and toughness of DNAN/RDX systems. The above observations revealed that the cooperative effects of the APER polymer can help to reinforce the interfacial interactions and mechanical properties of DNAN/RDX composites, which is of importance in the formulation and mechanical evaluation of advanced energetic composites.
Źródło:
Central European Journal of Energetic Materials; 2017, 14, 3; 726-741
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The Reinforcement of the TNT System by a Newly-designed GAP-based Polyurethane-Urea: a Molecular Simulation Investigation
Autorzy:
Qian, W.
Shu, Y.
Ma, Q.
Li, H.
Wang, S.
Chen, X.
Powiązania:
https://bibliotekanauki.pl/articles/358512.pdf
Data publikacji:
2016
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
TNT
GAP
polyurethane-urea
inter-molecular interaction
mechanical properties
Opis:
A glycidyl azide (GAP)-based polyurethane-urea (PUU) modifier used in the 1,3,5-trinitrotoluene (TNT)-based composite explosive was investigated by molecular simulation. Inter-molecular interactions were investigated using quantum chemistry calculation on the dimer of TNT and GAP-PUU, and attractive forces were found between the two molecules. The cohesive energy densities and the solubility parameters were obtained through molecular dynamics simulations combined with thermodynamic calculations on the TNT and GAP-PUU amorphous cell models, and the miscibility of the modifier in molten TNT was predicted to be good. The interaction energies and the mechanical properties were then obtained by molecular simulations and mechanical calculations on the solid-phase models of the GAP-PUU with TNT along three crystalline directions, and an improvement in the mechanical properties was predicted.
Źródło:
Central European Journal of Energetic Materials; 2016, 13, 2; 411-426
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Investigation of the cook-off processes of HMX-based mixed explosives
Autorzy:
Chen, L.
Ma, X.
Lu, F.
Wu, J.
Powiązania:
https://bibliotekanauki.pl/articles/358000.pdf
Data publikacji:
2014
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
explosives
chemical kinetics
thermal decomposition
cook-off
numerical simulation
Opis:
In order to investigate the characteristics of the thermal reaction for two kinds of mixed explosives, PBXC-10 (HMX/TATB/Binder, 38/57/5) and JO-8 (HMX/Binder, 95/5), multi-point measured temperature cook-off tests were carried out at different heating rates. The thermal transfer and finite chemical reactions that include the β→δ transition of HMX, and the endothermic and exothermic cook-off processes were analyzed. A 3D model of the explosive cook-off test was developed to simulate the thermal and chemical behaviour in a thermal ignition. The decomposition mechanisms for HMX and TATB are described by the multistep, chemical kinetic model. The thermal properties, decomposition pathways, and chemical kinetic reaction rate constants for each component are used to develop the reaction courses at various weight percentages. The thermal decomposition reaction of a multi-component, mixed explosive can be predicted as long as the chemical kinetics model of each single-base explosive and binder are known. The phase transition of HMX has an influence on the temperature of the explosive, especially for an explosive with a high HMX content. For mixed explosives containing HMX and TATB, most of the heat release is produced by the decomposition of HMX before ignition, but TATB can delay the ignition time and decrease the reaction violence in the cook-off process.
Źródło:
Central European Journal of Energetic Materials; 2014, 11, 2; 199-218
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Phase Diagrams of the MeNQ/HN and HN/NQ Binary Systems
Autorzy:
Tian, M.-M.
Li, H.-R.
Chen, L.
Ju, X.
Shu, Y.-J.
Powiązania:
https://bibliotekanauki.pl/articles/358436.pdf
Data publikacji:
2015
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
phase diagram
binary system
eutectic
DSC
XRD
Opis:
An equation for a binary phase diagram with two eutectic points was deduced from the Van’t Hoff equation. The melting points of hydrazinium nitrate/ nitroguanidine (HN/NQ) samples with different ratios, ranging from 0 to 1 mole fraction, were explored by differential scanning calorimetry (DSC). The results revealed the presence of two eutectic points in the phase diagram of the HN/NQ binary system. The dependence of temperature on the composition (T-X phase diagram) of HN/NQ was depicted based on the equation described by the DSC data. The phase diagram of MeNQ/HN, with only one eutectic point was constructed by substituting experimental data of the compositions and their corresponding temperatures into the Van’t Hoff equation. The phase diagram with two or more eutectic points indicated the formation of new stable compounds with appropriate ratios of the two components; no new substance appeared in the system with only one eutectic point. Thus, the HN/NQ binary system showed the presence of a new substance, which is probably the HN/NQ co-crystal. No new substance was detected in the MeNQ/HN binary system. The results of the X-ray diffraction patterns agree with the findings from the phase diagrams.
Źródło:
Central European Journal of Energetic Materials; 2015, 12, 2; 271-286
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Dft investigation of a high energy density polynitro compound, 2,2’-Bis(trinitromethyl)-5,5’-azo-1,2,3,4- tetrazole
Autorzy:
Lin, H.
Zhu, S. G.
Chen, P. Y.
Li, K.
Li, H. Z.
Peng, X. H.
Powiązania:
https://bibliotekanauki.pl/articles/358030.pdf
Data publikacji:
2013
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
polynitro
electronic structure
thermodynamic properties
crystal structure
detonation performance
stability
Opis:
A novel polynitro compound, 2,2’-bis(trinitromethyl)-5,5’-azo- 1,2,3,4-tetrazole, was designed and investigated at the DFT-B3LYP/6-31G(d) level. Its properties, such as electronic structure, IR spectrum, heat of formation, thermodynamic properties and crystal structure, were predicted. This compound is most likely to crystallize in the P21 space group, and the corresponding cell parameters are Z = 2, a = 5.46 Å, b = 9.72 Å, c = 14.05 Å, α = 90°, β = 90°, γ = 90°. In addition, the detonation velocity and pressure were also estimated by using the empirical Kamlet-Jacobs equations, and were predicted to be 8.28 km/s and 31.61 GPa respectively. The oxygen balance of this compound is +13.79%, which indicates that it could serve as an oxidizer. Bond dissociation energy calculations show that the C(13)-N(21)O2 and C(14)-N(30)O2 bonds are the locations of thermal decomposition and that this compounds meets the thermal stability requirements as an exploitable explosive. Keywords: polynitro, electronic structure, thermodynamic properties, crystal structure, detonation performance, stability.
Źródło:
Central European Journal of Energetic Materials; 2013, 10, 3; 325-338
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Coating of LiBH4 and Its Effect on the Decomposition of RDX and AP
Autorzy:
Ding, X.
Shu, Y.
Chen, Z.
Liu, N.
Gou, B.
Zhang, J.
Wu, M.
Xie, G.
Dang, T.
Powiązania:
https://bibliotekanauki.pl/articles/358086.pdf
Data publikacji:
2017
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
coating
hydride
additive
hygroscopicity
DSC
Opis:
The novel fuel additive LiBH4 was introduced as an energetic component for its outstanding hydrogen content, perfect burning performance and high reactivity. In order to limit the hygroscopicity and to improve the stability in the air, LiBH4 was coated on the surface with wax and polyester carbonate. The final product was characterized by scanning electron microscopy (SEM), X-ray photoelectron energy spectroscopy (XPS) and Raman spectroscopy, while the stability in air was investigated by regular checking of variations in weight. The results show that a uniform coating layer was formed on the surface of the LiBH4, and the coverage was estimated from the boron content as approximately 82%. A healing effect was confirmed on defective surfaces exposed to air; the coating layer improves the relative stability by 50.7%. Furthermore, LiBH4 as an additive to promote the thermal decomposition of 1,3,5-trinitro-1,3,5-trazinane (RDX) and ammonium perchlorate (AP) was explored by differential scanning calorimetry (DSC), in which the catalytic effects of pure LiBH4 and coated LiBH4 were compared, and indicated that the coating does not decrease the reactivity of LiBH4. It is suggested that surface coating with some inert materials is a simple and effective method for improving the storage and performance of LiBH4, while ensuring its reactivity.
Źródło:
Central European Journal of Energetic Materials; 2017, 14, 1; 134-151
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The Microstructural Evolution in HMX Based Plastic-bonded Explosive During Heating and Cooling Process: an in situ Small-angle Scattering Study
Autorzy:
Yan, G.
Tian, Q.
Liu, J.
Fan, Z.
Sun, G.
Zhang, C.
Wang, Y.
Chen, B.
Gong, J.
Zhou, X.
Yang, Z.
Nie, F.
Li, J.
Li, X.
Powiązania:
https://bibliotekanauki.pl/articles/358618.pdf
Data publikacji:
2016
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
SANS
SAXS
HMX-PBX
thermal damages
phase transition
Opis:
The thermal damage in octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) based plastic-bonded explosive (PBX) was investigated using in situ small-angle neutron and X-ray scattering techniques. The microstructural evolution was quantitatively characterized by the model fitting parameters of total interfacial surface area (Sv) and void volume distribution. The Sv of HMX-PBX decreased markedly above 100 °C, indicating the movement of binder into the voids. After subsequent cooling to room temperature, the scattering intensity increased significantly with increasing storage time, and a new population of voids with average diameter of 20 nm was observed, accompanied by the gradual phase transition of HMX from δ- to β-phase. The experimental results implied that serious damage within the HMX-PBX was developed during storage after heating.
Źródło:
Central European Journal of Energetic Materials; 2016, 13, 4; 916-926
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Thermally induced damage in hexanitrohexaazaisowurtzitane
Autorzy:
Tian, Q.
Yan, G.
Sun, G.
Huang, C.
Xie, L.
Chen, B.
Huang, M.
Li, H.
Liu, X.
Wang, J.
Powiązania:
https://bibliotekanauki.pl/articles/358735.pdf
Data publikacji:
2013
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
CL-20
SAXS
AFM
thermal effects
voids
Opis:
The evolution of the microstructure of hexanitrohexaazaisowurtzitane (CL-20) after a thermal stimulus plays a key role in the performance of CL-20. In the current work, microstructural variations of CL-20 caused by thermal treatment were investigated by X-ray diffraction, in situ variable-temperature optical microscopy, atom force microscopy, and small-angle X-ray scattering. A wave-like process, an abrupt volume expansion, movement, and fragmentation of CL-20 particles during phase transition were observed. After the phase transition (160 °C) the CL-20 sample acquired a very rough surface with numerous dimple depressions, and during the thermal decomposition stage (200 °C) a large number of voids were produced in both the bulk and the surface of the CL-20.
Źródło:
Central European Journal of Energetic Materials; 2013, 10, 3; 359-369
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-8 z 8

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