The booming development of DIW technology present an unprecedented prospect in energetic materials field and has attracted great interest due to its relative simplicity and high flexibility of manufacturing.Herein,a n...The booming development of DIW technology present an unprecedented prospect in energetic materials field and has attracted great interest due to its relative simplicity and high flexibility of manufacturing.Herein,a novel CL-20 based explosive ink formulation have been developed successfully for MEMS initiation systems via DIW technology.We designed PVA/GAP into an oil-in-water(O/W)emulsion,in the way that the aqueous solution of PVA as water phase,the ethyl acetate solution of GAP as oil phase,the combination of Tween 80 and SDS as emulsifier,BPS as a curing agent of GAP.The ideal formulation with good shear-thinning rheology properties and clear gel point was prepared using only 10 wt%emulsion.The dual-cured network formed during the curing process made the printed sample have good mechanical properties.The printed samples had satisfactory molding effect without cracks or fractures,the crystal form of CL-20 not changed and the thermal stability have improved.Deposition of explosive inks via DIW in micro-scale grooves had excellent detonation performances,which critical detonation size was 1×0.045 mm,detonation velocity was 7129 m/s and when the corner reaching 150°can still detonated stably.This study may open new avenues for developing binder systems in explosive ink formulations.展开更多
A new type of explosive ink formulation that can be quickly cured was prepared with unsaturated polyester as binder,styrene as active monomer,2,4,6-trimethylbenzoyl-diphenylphosphine oxide as photoinitiator,and hexani...A new type of explosive ink formulation that can be quickly cured was prepared with unsaturated polyester as binder,styrene as active monomer,2,4,6-trimethylbenzoyl-diphenylphosphine oxide as photoinitiator,and hexanitrohexaazaisowurtzitane(CL-20)as the main explosive.Then the explosive inkdirect writing technology was used to charge the micro-sized energetic devices,the curing mechanism of the explosive ink was discussed,and the microstructure,safety performance and explosive transfer performance of the explosive ink molded samples were tested and analyzed.Results indicate that the composite material has a fast curing molding speed,its hardness can reach 2H within 8 min.The crystal form of CL-20 in the molded sample is still type.The CL-20 based UV-curing explosive ink formulation has good compatibility,its apparent activation energy is increased by about 3.5 kj/mol.The composite presents a significant reduction in impact sensitivity and its characteristic drop height can reach 39.8 cm,whichis about 3 times higher than the raw material.When the line width of charge is 1.0 mm,the critical thickness of the explosion can reach 0.015 mm,and the explosion velocity is 7129 m/s when the charge density is 1.612 g/cm^(3).展开更多
In order to investigate whether endohedral He-doping is possible or not in CL-20,a density functional treatment has been carried out at the levels of B3LYP/6-31++G(d,p)and B3PW91/6-31++G(d,p).Some physicochemical and ...In order to investigate whether endohedral He-doping is possible or not in CL-20,a density functional treatment has been carried out at the levels of B3LYP/6-31++G(d,p)and B3PW91/6-31++G(d,p).Some physicochemical and quantum chemical properties of the helium-doped CL-20 (He@CL-20)are compared with the respective values of the parent explosive CL-20.The helium doping caused swelling of CL-20cage but no bond rupture occurred.Doped helium acquired some positive charge.展开更多
The effect of magnesium atom on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtizane(HNIW,CL-20)explosive is considered within the constraints of density functional theory at the level of B3LYP/6-31++G(d,p).The M...The effect of magnesium atom on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtizane(HNIW,CL-20)explosive is considered within the constraints of density functional theory at the level of B3LYP/6-31++G(d,p).The Mg atom transfers some electron population to CL-20and one of the nitro groups linked to 6-membered piperazine ring system(base)is expelled in the prenitrite form.The total Mulliken charges on the NO2group reveals that the respective nitramine bond in CL-20is the most susceptible one to impact.The calculated IR and UV-VIS spectra are investigated.The effect of Mg atom on the molecular orbital energies,especially the HOMO and LUMO has been discussed.Narrowing of the interfrontier molecular orbital energy gap(Δε)in the composite system occurs.Therefore,the composite system is more susceptible to impact compared to CL-20.展开更多
Five polymer bonded explosives (PBXs) with the base explosive ε-CL-20 (hexanitrohexaazaisowurtzi- tane), the most important high energy density compound (HEDC), and five polymer binders (Estane 5703, GAP, HTPB, PEG, ...Five polymer bonded explosives (PBXs) with the base explosive ε-CL-20 (hexanitrohexaazaisowurtzi- tane), the most important high energy density compound (HEDC), and five polymer binders (Estane 5703, GAP, HTPB, PEG, and F2314) were constructed. Molecular dynamics (MD) method was employed to investigate their binding energies (Ebind), compatibility, safety, mechanical properties, and energetic properties. The information and rules were reported for choosing better binders and guiding formula- tion design of high energy density material (HEDM). According to the calculated binding energies, the ordering of compatibility and stability of the five PBXs was predicted as ε-CL-20/PEG > ε-CL-20/ Estane5703 ≈ε-CL-20/GAP > ε-CL-20/HTPB > ε-CL-20/F2314. By pair correlation function g(r) analyses, hydrogen bonds and vdw are found to be the main interactions between the two components. The elasticity and isotropy of PBXs based ε-CL-20 can be obviously improved more than pure ε-CL-20 crystal. It is not by changing the molecular structures of ε-CL-20 for each binder to affect the sensitivity. The safety and energetic properties of these PBXs are mainly influenced by the thermal capability (C°p) and density (ρ) of binders, respectively.展开更多
The design and synthesis of energetic materials with a compatibility of high energy and insensitivity have always been the research fronts in military and civilian fields.Considering excellent performances of porous o...The design and synthesis of energetic materials with a compatibility of high energy and insensitivity have always been the research fronts in military and civilian fields.Considering excellent performances of porous organic frameworks and the lack of research in the field of energetic materials,in this study,a new concept named energetic porous aromatic frameworks(EPAFs)is proposed.The strategy of coating high energy explosives such as 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20)and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX)in the EPAFs by wet-infiltration method has successfully realized the assembly of target energetic composite materials.The results show that the 75 wt.%CL-20@EPAF-1 possesses the safer impact sensitivity of 31.4 J than that of CL-20(4.0 J).Notably,for 75 wt.%CL-20@EPAF-1,in addition to the superior detonation performances of the detonation velocity(8,761 m·s^(-1))and detonation pressure(31.27 GPa),the synergistic effect of the nitrogen-rich EPAFs and the nitramines high energy explosives results in a higher heat of detonation that surpasses the most of pristine high explosives and reported novel energetic materials.In prospect,energetic porous aromatic frameworks could be a promising and inspiring strategy to build high energy insensitive energetic materials.展开更多
基金This work was supported by the Graduate Education Innovation Project of Shanxi Province(2020SY401)No.55 Research Institute of China North Industries Group Corporation Open Innovation Fund(WDZC2020JJ017).
文摘The booming development of DIW technology present an unprecedented prospect in energetic materials field and has attracted great interest due to its relative simplicity and high flexibility of manufacturing.Herein,a novel CL-20 based explosive ink formulation have been developed successfully for MEMS initiation systems via DIW technology.We designed PVA/GAP into an oil-in-water(O/W)emulsion,in the way that the aqueous solution of PVA as water phase,the ethyl acetate solution of GAP as oil phase,the combination of Tween 80 and SDS as emulsifier,BPS as a curing agent of GAP.The ideal formulation with good shear-thinning rheology properties and clear gel point was prepared using only 10 wt%emulsion.The dual-cured network formed during the curing process made the printed sample have good mechanical properties.The printed samples had satisfactory molding effect without cracks or fractures,the crystal form of CL-20 not changed and the thermal stability have improved.Deposition of explosive inks via DIW in micro-scale grooves had excellent detonation performances,which critical detonation size was 1×0.045 mm,detonation velocity was 7129 m/s and when the corner reaching 150°can still detonated stably.This study may open new avenues for developing binder systems in explosive ink formulations.
基金Equipment Development Department of China(61406190401).
文摘A new type of explosive ink formulation that can be quickly cured was prepared with unsaturated polyester as binder,styrene as active monomer,2,4,6-trimethylbenzoyl-diphenylphosphine oxide as photoinitiator,and hexanitrohexaazaisowurtzitane(CL-20)as the main explosive.Then the explosive inkdirect writing technology was used to charge the micro-sized energetic devices,the curing mechanism of the explosive ink was discussed,and the microstructure,safety performance and explosive transfer performance of the explosive ink molded samples were tested and analyzed.Results indicate that the composite material has a fast curing molding speed,its hardness can reach 2H within 8 min.The crystal form of CL-20 in the molded sample is still type.The CL-20 based UV-curing explosive ink formulation has good compatibility,its apparent activation energy is increased by about 3.5 kj/mol.The composite presents a significant reduction in impact sensitivity and its characteristic drop height can reach 39.8 cm,whichis about 3 times higher than the raw material.When the line width of charge is 1.0 mm,the critical thickness of the explosion can reach 0.015 mm,and the explosion velocity is 7129 m/s when the charge density is 1.612 g/cm^(3).
文摘In order to investigate whether endohedral He-doping is possible or not in CL-20,a density functional treatment has been carried out at the levels of B3LYP/6-31++G(d,p)and B3PW91/6-31++G(d,p).Some physicochemical and quantum chemical properties of the helium-doped CL-20 (He@CL-20)are compared with the respective values of the parent explosive CL-20.The helium doping caused swelling of CL-20cage but no bond rupture occurred.Doped helium acquired some positive charge.
文摘The effect of magnesium atom on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtizane(HNIW,CL-20)explosive is considered within the constraints of density functional theory at the level of B3LYP/6-31++G(d,p).The Mg atom transfers some electron population to CL-20and one of the nitro groups linked to 6-membered piperazine ring system(base)is expelled in the prenitrite form.The total Mulliken charges on the NO2group reveals that the respective nitramine bond in CL-20is the most susceptible one to impact.The calculated IR and UV-VIS spectra are investigated.The effect of Mg atom on the molecular orbital energies,especially the HOMO and LUMO has been discussed.Narrowing of the interfrontier molecular orbital energy gap(Δε)in the composite system occurs.Therefore,the composite system is more susceptible to impact compared to CL-20.
基金Supported by the National Natural Science Foundation of China (Grant No. 10176012)the Important Foundation of China Academy of Engineering Physics (CAEP, 2004Z0503) and 973 Program of China
文摘Five polymer bonded explosives (PBXs) with the base explosive ε-CL-20 (hexanitrohexaazaisowurtzi- tane), the most important high energy density compound (HEDC), and five polymer binders (Estane 5703, GAP, HTPB, PEG, and F2314) were constructed. Molecular dynamics (MD) method was employed to investigate their binding energies (Ebind), compatibility, safety, mechanical properties, and energetic properties. The information and rules were reported for choosing better binders and guiding formula- tion design of high energy density material (HEDM). According to the calculated binding energies, the ordering of compatibility and stability of the five PBXs was predicted as ε-CL-20/PEG > ε-CL-20/ Estane5703 ≈ε-CL-20/GAP > ε-CL-20/HTPB > ε-CL-20/F2314. By pair correlation function g(r) analyses, hydrogen bonds and vdw are found to be the main interactions between the two components. The elasticity and isotropy of PBXs based ε-CL-20 can be obviously improved more than pure ε-CL-20 crystal. It is not by changing the molecular structures of ε-CL-20 for each binder to affect the sensitivity. The safety and energetic properties of these PBXs are mainly influenced by the thermal capability (C°p) and density (ρ) of binders, respectively.
基金supported by the Key Project of National Defense Basic Research Program of China(No.2019-JCJQ-ZD-139-00)the National Natural Science Foundation of China(No.22075040).
文摘The design and synthesis of energetic materials with a compatibility of high energy and insensitivity have always been the research fronts in military and civilian fields.Considering excellent performances of porous organic frameworks and the lack of research in the field of energetic materials,in this study,a new concept named energetic porous aromatic frameworks(EPAFs)is proposed.The strategy of coating high energy explosives such as 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20)and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX)in the EPAFs by wet-infiltration method has successfully realized the assembly of target energetic composite materials.The results show that the 75 wt.%CL-20@EPAF-1 possesses the safer impact sensitivity of 31.4 J than that of CL-20(4.0 J).Notably,for 75 wt.%CL-20@EPAF-1,in addition to the superior detonation performances of the detonation velocity(8,761 m·s^(-1))and detonation pressure(31.27 GPa),the synergistic effect of the nitrogen-rich EPAFs and the nitramines high energy explosives results in a higher heat of detonation that surpasses the most of pristine high explosives and reported novel energetic materials.In prospect,energetic porous aromatic frameworks could be a promising and inspiring strategy to build high energy insensitive energetic materials.
