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Smart Host–Guest Energetic Material Constructed by Stabilizing Energetic Fuel Hydroxylamine in Lattice Cavity of 2,4,6,8,10,12-Hexanitrohexaazaisowurtzitane Significantly Enhanced the Detonation, Safety, Propulsion, and Combustion Performances
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2021-12-15 , DOI: 10.1021/acsami.1c20859 Shanhu Sun 1 , Haobin Zhang 1 , Zhiqiang Wang 1 , Jinjiang Xu 1 , Shiliang Huang 1 , Yong Tian 1 , Jie Sun 1
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2021-12-15 , DOI: 10.1021/acsami.1c20859 Shanhu Sun 1 , Haobin Zhang 1 , Zhiqiang Wang 1 , Jinjiang Xu 1 , Shiliang Huang 1 , Yong Tian 1 , Jie Sun 1
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The host–guest inclusion strategy has become a promising method for developing novel high-energy density materials (HEDMs). The selection of functional guest molecules was a strategic project, as it can not only enhance the detonation performance of host explosives but can also modify some of their suboptimal performances. Here, to improve the propulsion and combustion performances of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (HNIW), a novel energetic-energetic host–guest inclusion explosive was obtained by incorporating energetic rocket fuel, hydroxylamine (HA), into the lattice cavities of HNIW. Based on their perfect space matching, the crystallographic density of HNIW-HA was determined to be 2.00 g/cm3 at 296 K, which has reached the gold standard regarding the density of HEDMs. HNIW-HA also showed higher thermal stability (Td = 245.9 °C) and safety (H50 = 16.8 cm) and superior detonation velocity (DV = 9674 m/s) than the ε-HNIW. Additionally, because of the excellent combustion performance of HA, HNIW-HA possessed higher propulsion performances, including combustion speed (SC = 39.5 mg/s), combustion heat (QC = 8661 J/g), and specific impulse (Isp = 276.4 s), than ε-HNIW. Thus, the host–guest inclusion strategy has potential to surpass the limitations of energy density and suboptimal performances of single explosives and become a strategy for developing multipurpose intermolecular explosives.
中文翻译：
通过在2,4,6,8,10,12-六硝基六氮杂异武兹烷的晶格腔中稳定高能燃料羟胺构建的智能宿主-客体高能材料显着增强了爆轰、安全、推进和燃烧性能
主客体包含策略已成为开发新型高能量密度材料（HEDM）的一种很有前景的方法。功能客体分子的选择是一个战略项目，因为它不仅可以提高主体炸药的爆轰性能，而且还可以改变它们的一些次优性能。在这里，为了提高 2,4,6,8,10,12-六硝基六氮杂异武兹烷 (HNIW) 的推进和燃烧性能，通过掺入高能火箭燃料羟胺 (HA)，获得了一种新型的高能主客体夹杂炸药，进入 HNIW 的晶格腔。基于它们完美的空间匹配，HNIW-HA 的晶体密度被确定为 2.00 g/cm 3在 296 K，这已经达到了 HEDM 密度的黄金标准。HNIW-HA 还表现出比 ε-HNIW更高的热稳定性 ( T d = 245.9 °C) 和安全性 ( H 50 = 16.8 cm) 和优越的爆速 ( D V = 9674 m/s)。此外，由于HA优异的燃烧性能，HNIW-HA具有更高的推进性能，包括燃烧速度（S C = 39.5 mg/s）、燃烧热（Q C = 8661 J/g）和比冲（I sp= 276.4 s)，而不是 ε-HNIW。因此，主客体包含策略有可能超越单一炸药的能量密度和次优性能的限制，成为开发多用途分子间炸药的策略。
更新日期：2021-12-29
中文翻译：
通过在2,4,6,8,10,12-六硝基六氮杂异武兹烷的晶格腔中稳定高能燃料羟胺构建的智能宿主-客体高能材料显着增强了爆轰、安全、推进和燃烧性能
主客体包含策略已成为开发新型高能量密度材料（HEDM）的一种很有前景的方法。功能客体分子的选择是一个战略项目，因为它不仅可以提高主体炸药的爆轰性能，而且还可以改变它们的一些次优性能。在这里，为了提高 2,4,6,8,10,12-六硝基六氮杂异武兹烷 (HNIW) 的推进和燃烧性能，通过掺入高能火箭燃料羟胺 (HA)，获得了一种新型的高能主客体夹杂炸药，进入 HNIW 的晶格腔。基于它们完美的空间匹配，HNIW-HA 的晶体密度被确定为 2.00 g/cm 3在 296 K，这已经达到了 HEDM 密度的黄金标准。HNIW-HA 还表现出比 ε-HNIW更高的热稳定性 ( T d = 245.9 °C) 和安全性 ( H 50 = 16.8 cm) 和优越的爆速 ( D V = 9674 m/s)。此外，由于HA优异的燃烧性能，HNIW-HA具有更高的推进性能，包括燃烧速度（S C = 39.5 mg/s）、燃烧热（Q C = 8661 J/g）和比冲（I sp= 276.4 s)，而不是 ε-HNIW。因此，主客体包含策略有可能超越单一炸药的能量密度和次优性能的限制，成为开发多用途分子间炸药的策略。
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