FUEL
·
2022
·
IF 8.035
Ji Mi,Pengfei Jiang,Yitong Dai,Yiran Zhang,Chongkun Shao,Hujun Xie,Yongsheng Guo,Wenjun Fang
The advancement of propulsion systems accelerates the exploitation and application of various high-energy–density (HED) fuels, and yet severe oxidative-fouling hinders the adoption of such fuels in thermal-stressed conditions. In this work, we investigated the overall thermal-oxidative degradation and deposition process of a typical HED fuel, exo -tetrahydrodicyclopentadiene ( exo -TCD), known as JP-10 (NHOC = 39.6 MJ/L), with the presence of oxygen. The oxidation mechanism of exo -TCD at relatively low temperatures is illustrated on the basis of experimental and computational results. For the first time, the chirality of oxidation products has been discussed, revealing the potential impact of radical configuration on the oxidation process of exo -TCD. Besides, an in-depth investigation on the deposition formation process was carried out by analyzing the structure and composition of polymeric macromolecules with the assistance of TG-IR-GC/MS technique. The oxidative deposition of exo -TCD is illustrated with a three-step mechanism of “oxidation”, “polymerization”, and “deposition”. The solubility of macromolecular species formed upon oxidation is decisive for the deposition propensity of fuels. This work aims to provide a theoretical and methodological basis for the future study on the oxidative stability of HED fuels.
研究领域:
化学工程
·
能源科学
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产品关联
DOI
高影响因子
CORROSION SCIENCE
·
2024
·
IF 7.4
Ziyang Guo,Liyuan Qin,Haoming Zou,Xiao Ma,Dongliang Wang,Yansong Shi,Xijuan Lv,Yujie Qiang,Wei Guo,Qinghai Shu
This study investigates the corrosion mechanism of carbon steel (CS) induced by high-energy density materials (HEDMs), NTO and AP. CS exhibited corrosion rates of 1.314 mm/y and 8.690 mm/y when exposed to NTO and AP powders, respectively. However, these rates shifted to 9.050 mm/y for NTO and 3.597 mm/y for AP in solution. Experiments combining grand canonical Monte Carlo (GCMC) and ab initio molecular dynamics (AIMD) simulations demonstrate AP’s greater susceptibility to hygroscopicity, establishing a corrosive environment. CS maintains an unabated corrosion rate as Cl - from AP reduction damages corrosion products. Conversely, NTO’s compact corrosion products effectively delay CS corrosion.
研究领域:
材料科学
·
腐蚀科学
·
计算化学
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2020
·
IF 3.573
Huijian Ye,Wenqing Liu,Yafei Chen,Jian Huang,Wei Chen,Zhiyong Chen,Lixin Xu,Jianjun Zhang
Polymer dielectric materials of film capacitors have been investigated widely for advanced electronics and energy storage systems, in which high discharge energy density and low loss are the key parameters to motivate promising applications. Here, we tailored the miscible segments in a hyperbranched copolymer to suppress the charge carrier in the graphene/poly(vinylidene fluoride-co-chlorotrifluoroethylene) (P(VDF-CTFE)) nanocomposite with improved energy capability. The hyperbranched copolymer of polyethylene-grafted poly(methyl methacrylate) (HBPE-g-PMMA) was obtained via atom transfer radical polymerization (ATRP) and was then employed as a stabilizer to exfoliate graphene in chloroform. The copolymer was attached on nanosheets through CH−π noncovalent interconnections. The compatibility between graphene and the P(VDF-CTFE) matrix is improved because of the miscibility between PMMA segments and the fluoropolymer matrix. The dielectric constant of the 0.5 wt % nanocomposite is 18 at 102 Hz, and the energy density of the current nanocomposite is 3.3 J/cm3 at 250 MV/m with a charge–discharge efficiency of 64%, which is ascribed to the improved interfacial polarization in the presence of the HBPE-g-PMMA copolymer. The strong interaction at the interface restrains the diffusion activity and suppresses the loss during the electric field on–off cycle. This strategy provides a feasible route for the noncovalent functionalization of graphene in a flexible film capacitor with desirable energy storage capability.
研究领域:
材料科学
·
电子工程
·
能源存储
✓ 已验证
产品关联
DOI
高影响因子
FUEL
·
2020
·
IF 5.578
Qiancheng Zheng,Zhourong Xiao,Jisheng Xu,Lun Pan,Xiangwen Zhang,Ji-Jun Zou
This work investigated the steam reforming (SR) performance of high-energy–density (HED) fuels including exo- tetrahydrodicyclopentadiene ( exo -THD), exo -tetrahydrotricyclopentadiene ( exo -THT), 1,3-dimethyladamantane (DMA) and quadricyclane (QC), aiming to provide sufficient heat sink for hypersonic flight. The fuel conversion decreases in the order of QC > DMA ≈ exo -THD > exo -THT, while the molecular-structure-dependent catalyst stability trend is DMA > exo -THD > QC ≈ exo -THT, which are related to the H/C value, carbon deposition and exposure of active Ni species after carbon deposition. Importantly, the catalytic SR reaction can significantly improve the total heat sink of HED fuels. Especially, DMA and exo -THD with higher H/C and (H/C)*M a exhibit excellent performance on activity and stability, on which high total heat sink, total heating value and coke-resistance are achieved. This work provides the molecule-SR heat sink relationship for the design of the effective cooling system for the hypersonic flight.
研究领域:
化学工程
·
航空航天工程
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2020
·
IF 2.463
Mi Wang,Zhenyuan Wang,Binshen Wang,Jichuan Zhang,Jiaheng Zhang
The incorporation of both fuel and oxidizer properties into a single molecule to effectively improve the oxygen balance of energetic compounds has become one of the most acceptable strategies for the design of modern high-energy-density materials (HEDMs). To identify more powerful and less sensitive HEDMs with favorable oxygen balance, novel nitrogen- and oxygen-enriched dicationic 3,4-diaminotriazolium salts were prepared via the quaternization of 3,4-diamino-triazole with 4,4′-bis(nitramino)azofurazan and 4,4′-bis(nitramino)azoxyfurazan, and then fully characterized. These compounds exhibited favorable thermal stabilities with decomposition temperatures up to 216°C, high densities over 1.82 g · cm −3 as well as acceptable sensitivities. In addition, the two-dimensional fingerprint spectra based on Hirshfeld surface analysis were adopted to illustrate structure–property relationships. Based on the combination of experimentally determined densities and heats of formation calculated with Gaussian 03, the energetic properties were determined using the EXPLO5 v6.02 program. The newly synthesized ionic salts displayed excellent detonation properties ( V d , 9115-9220 m · s −1 ; P , 33.9-35.4 GPa), comparable to those of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX), thus highlighting their potential in energetic material applications.
研究领域:
化学
·
材料科学
✓ 已验证
DOI
高影响因子
JOURNAL OF ORGANIC CHEMISTRY
·
2025
·
IF 3.6
Wen-Shuai Dong,Meiqi Xu,Qamar-un-Nisa Tariq,Zu-jia Lu,Qiyao Yu,Jian-Guo Zhang
The design of high-energy density energetic materials (HEDMs) and the exploration of energy limits have long been prominent research areas, presenting both significant opportunities and challenges. In this study, we report the synthesis of 1,2-bis(4-azido-3,5-dinitropyrazolyl) diazene (BLG-101) utilizing an energetic block design strategy based on a long nitrogen chain. BLG-101 exhibits a high crystal density of 1.924 g·cm–3, with a measured density of 1.89 g·cm–3, and demonstrates excellent enthalpy of formation alongside favorable thermal stability. Notably, BLG-101 showcases exceptional detonation performance, achieving a detonation velocity (VD) of 9800 m·s–1 and a heat of detonation (Q) of 6893 kJ·kg–1, surpassing those of the classical high-energy compound CL-20, which has a VD of 9445 m·s–1 and a Q of 6134 kJ·kg–1. However, BLG-101 has a higher mechanical sensitivity (IS = 3.6 J, FS = 32 N) than CL-20 (IS = 4 J, FS = 48 N). The integrated design approach, which synergistically combines nitro, azide, and elongated nitrogen chain structures within a pyrazole framework, significantly enhances the energetic performance of nitropyrazole compounds. This innovative strategy not only overcomes the current energy limitations associated with nitropyrazole derivatives but also provides a novel pathway for the design and synthesis of new energetic compounds with high energy density.
研究领域:
化学
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材料科学
✓ 已验证
DOI
PubMed
高影响因子
Communications Materials
·
2024
·Vol. 5
·期 1
·1-9
·
IF 7.5
Xu Yuangang,Zhou Jianxin,Li Xinyi,Hou Tianyang,Xu Ze,Wang Pengcheng,Lu Ming
Because of its high energy, aromaticity, and carbon- and hydrogen-free structure, the cyclo -pentazolate anion ( c -N 5 - ) has attracted increased attention as a potential polynitrogen structural unit for the research of next-generation high energy density materials. However, the poor thermal stability of c -N 5 - -based compounds has become an important factor restricting their development. Here, we show that a hydrogen-bonded organic framework (HOF) self-assembles with and stabilizes c -N 5 - , with c -N 5 - situated in the pores of the resulting framework through the formation of symmetrical c -N 5 - hydrogen bonds as the main stabilizing factors. These factors result in an onset decomposition temperature of 153 °C for the c -N 5 - @HOF portion, which exceeds the thermal stabilities generally observed for c -N 5 - -based derivatives of below 135 °C. We envisage that further c -N 5 - -based materials with enhanced stabilities and better performance will be developed in the future.
研究领域:
化学
·
材料科学
✓ 已验证
DOI
高影响因子
Journal of Energy Chemistry
·
2024
·
IF 14
Wen-Jing Zhang,Yan-Cheng Hu,Yan-Hong Tan,Jia Li,Ning Li,Jing-Pei Cao
High-energy-density (HED) fuel (e.g. widely used JP-10 and RJ-4), featuring compact 3D polycyclic structure with high strain, is of critical importance for volume-limited military aircraft, since their high density and combustion heat can provide more propulsion energy. To reduce the reliance on petroleum source, it is highly desirable to develop renewable alternatives for the production of strained polycyclic HED fuel, but which remains a big challenge because of the inaccessibility caused by the high strain. We herein demonstrate a three-step catalytic route towards highly strained C 17 and C 18 spirofuel with biomass feedstocks. The process includes catalytic aldol condensation of renewable cyclohexanone/cyclopentanone with benzaldehyde, catalytic spiro Diels-Alder (D-A) reaction of aldol adduct with isoprene, and catalytic hydrodeoxygenation. The key spiro D-A reaction is enabled by the catalysis of heterogeneous Lewis acidic ionic liquid. The chloroaluminate IL, formed by benign urea and AlCl 3 , exhibits good catalytic performance and reusability for this step. An eventual hydrodeoxygenation (HDO) over Pd/C and H-Y produces strained tricyclic spirofuel with density >0.93 g/mL, combustion heat >41 MJ/L and freezing point < −40 °C, which are better than the properties of tactical fuel RJ-4. Therefore, it is anticipated that the as-prepared renewable fuels have the potential to replace traditional petroleum-derived HED fuels.
研究领域:
能源化学
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催化科学
·
可再生能源
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2025
·
IF 4.7
Jianshuo Cheng,Feng Yang,Xianfeng Wang,Shaijie Jiang,Ming Lu,Yuangang Xu
High-energy-density materials (HEDMs) based on five-membered nitrogen heterocycles functionalized with dinitromethyl groups hold significant potential but face challenges in balancing energy and stability. While dinitromethyl derivatives of azoles and oxadiazoles exhibit high enthalpies of formation and detonation performance, their inherent acidity, mechanical sensitivities, and poor stability limit practical applications. Energetic salts have been widely explored to enhance stability, yet most reported salts suffer from reduced densities compared to their neutral analogs. Herein, we report the synthesis and characterization of a novel meta-substituted dinitromethylpyrazole derivative, 4-dinitromethyl-1-nitropyrazole ( 5 ), and its ammonium ( 6a ), hydrazinium ( 6b ), and hydroxylammonium ( 6c ) salts. Remarkably, all three salts exhibit superior densities (1.81–1.89 g cm −3 ), surpassing that of neutral 5 (1.74 g cm −3 ), while maintaining enhanced thermal stabilities and reduced mechanical sensitivities. Single-crystal X-ray diffraction and theoretical calculations jointly reveal that the structural transformation from a twisted neutral molecule to a planar dinitromethyl anion, driven by deprotonation, induces a synergistic interplay of intermolecular forces. This transition fosters robust hydrogen-bond networks, intensified π-π stacking interactions, and elevated packing coefficients, while simultaneously enhancing aromaticity and conjugation effects. Concurrently, destabilizing O···O repulsions are significantly reduced. These combined structural and electronic modifications collectively contribute to superior density and thermochemical stability, overcoming the typical density loss observed in analogous systems. This work challenges the conventional limitations of ionic HEDMs and provides a strategic approach to designing high-density, low-sensitivity energetic salts through rational substitution and crystal engineering. The results highlight the critical role of molecular geometry and counterion selection in achieving balanced energetic performance, offering new avenues for advancing HEDM development.
研究领域:
化学
·
材料科学
·
有机化学
·
物理化学
·
晶体工程
·
含能材料
✓ 已验证
DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2025
·
IF 9.7
Lixia Wang,Wenbo Gao,Xiangrong Li,Xianfu Zheng,Xin Li,Xia Sheng,Yanyan Liu,Meirong Song
High-energy-density aqueous filtering capacitors are essential for the conversion of alternating current to direct current in contemporary integrated circuits. Yet their energy density is limited by the 1.23 V decomposition voltage of water. Here, we report an asymmetric electrolyte configuration to effectively suppress water decomposition activity, enabling the development of an aqueous filtering capacitor with a 2 V operating voltage, as well as an ultrahigh areal specific energy density of 4.51 ± 0.26 mF V 2 cm −2 (1.25 ± 0.07 μWh cm −2 ) at 120 Hz. This significant energy density value surpasses most reported filtering capacitors with a comparable phase angle of −(75.0 ± 1.0)° (Chi et al., 2017; Park et al., 2021; Zhang et al., 2022). Additionally, the capacitor presents outstanding cycling stability with a capacitance retention of 97.9 % after 200,000 cycles. Furthermore, we employ an alternatingly stacked assembly technique to conveniently construct compact and lossless integrated filtering capacitors, enabling efficient alternating current output smoothing from wind generator and ensuring stable power supply for light-controlled circuit. This work substantially advances line filtering electrochemical capacitors toward application in modern circuits.
研究领域:
材料科学
·
电子工程
·
能源存储
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF MATERIALS CHEMISTRY
·
2012
·Vol. 22
·期 44
·23468-23476
·
IF 5.968
Junjie Li,Shaobo Tan,Shujiang Ding,Huayi Li,Lanjun Yang,Zhicheng Zhang
In this work, we report a novel antiferroelectric-like performance at high poling fields obtained in poly(ethyl methacrylate) (PEMA) grafted poly(vinylidene fluoride-co-trifluoroethylene) (P(VDF-TrFE)) series copolymers for application as high energy density and low loss capacitor dielectrics films. Compared with the pristine P(VDF-TrFE) random copolymer, an enhanced discharged energy density but a lowered energy loss has been observed as more PEMA is grafted. This novel antiferroelectric-like behavior at high poling field was explained by the crystalline impediment and polarization confinement effect induced by PEMA side chains. The highest discharged energy density of 14 J cm−3 and a low loss of 30% at 550 MV m−1 are achieved in the sample containing 22 wt% PEMA. This finding represents one of the effective routes to design potential dielectric polymer films for high energy storage applications.
研究领域:
材料科学
·
能源存储
·
聚合物研究
✓ 已验证
DOI
高影响因子
eScience
·
2023
·
IF 0
Lidong Sun,Yong Wang,Lingchen Kong,Shaoshan Chen,Cong Peng,Jiahui Zheng,Yu Li,Wei Feng
As high-energy cathode materials, conversion-type metal fluorides provide a prospective pathway for developing next-generation lithium-ion batteries. However, they suffer from severe performance decay owing to continuous structural destruction and active material dissolution upon cycling, which worsen at elevated temperatures. Here, we design a novel FeF 2 cathode with in situ polymerized solid-state electrolyte systems to enhance the cycling ability of metal fluorides at 60 °C. Novel FeF 2 with a mesoporous structure (meso-FeF 2 ) improves Li + diffusion and relieves the volume change that typically occurs during the alternating conversion reactions. The structural stability of the meso-FeF 2 cathode is strengthened by an in situ polymerized solid-state electrolyte, which prevents the pulverization and ion dissolution that are inevitable for conventional liquid electrolytes. Under the double action of this in situ polymerized solid-state electrolyte and the meso-FeF 2 ’s mesoporous structure, the active material maintains an intact SEI layer and part of the mesoporous structure after long charge–discharge cycling, showing excellent cycling stability at high temperatures.
研究领域:
材料科学
·
电化学
·
能源存储
✓ 已验证
DOI
危险品化学品经营许可证（带存储）