JOURNAL OF PHYSICS-CONDENSED MATTER
·
2025
·Vol. 37
·期 15
·155701
·
IF 2.6
Zekun Yu,Chao Zhou,Kuo Bao,Zhaoqing Wang,Pinwen Zhu,Qiang Tao,Tian Cui
The interactions between the carbon skeleton and metal atoms in binary transition metal carbides are of particular interest for industrial applications involving advanced physics and chemistry, especially in magnetoelectric functional materials and cemented carbides. Cr and carbon BTMCs are a series of intermetallic compounds with specific chemical formulas that share certain unique characteristics. In this study, we used polycrystalline powders of chromium and carbon as precursors and synthesised single-phase bulk Cr7C3 (orthorhombic, space group: Pnma) with high density and good crystallinity using a high-temperature and high-pressure quenching method (HTHPQM). We studied the material properties and electronic structures of Cr7C3 with both experimental measurements and density functional theory ab intio simulations and found that Cr7C3 is a conductor with an electrical conductivity (2.32 × 10−3 Ω m), relatively high compaction (97.2%), excellent thermostability (oxidation at 1175 K), and a magnetic phase transition from paramagnetism to soft ferromagnetism around 50 K, and the electromagnetic properties are chiefly due to the abundance of the 3d electrons of Cr, and the orbital hybridisation between C and Cr with their 2p and 3d electrons is the reason for the crystal structure and high thermostability. Therefore, the synthesised Cr7C3 is a multifunctional material with promising application prospects, and HPHTQM is a simple and effective method for preparing samples.
研究领域:
材料科学
·
物理化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Sustainable Energy & Fuels
·
2018
·Vol. 2
·期 8
·1863-1869
·
IF 0
Jiawei Xie,Lei Zhang,Xiangwen Zhang,Peijuan Han,Junjian Xie,Lun Pan,De-Rong Zou,Song-Hua Liu,Ji-Jun Zou
Biofuels synthesized from lignocellulose-derived platform chemicals are very attractive for sustainable development. Here we reported a new and facile route to synthesize multi-substituted cycloalkanes with a high density and low freezing point using isophorone and furanic aldehydes (furfural and 5-hydroxymethylfurfural), by solvent-free aldol condensation, followed by hydrodeoxygenation. Catalysts were screened and NaOH showed good performance. The reaction conditions including catalyst dosage, isophorone/furanic aldehyde ratio, temperature and solvent were optimized, and finally the yields of 70.0% for isophorone/furfural and 72.8% for isophorone/5-hydroxymethylfurfural were obtained. Pt/HZSM-5 was prepared as the bifunctional catalyst for hydrodeoxygenation of the condensed product. The resultant multi-substituted cyclohexanes derived from isophorone/furfural and isophorone/5-hydroxymethylfurfural have a density of 0.813 g mL−1 and 0.846 g mL−1 respectively and both have a freezing point lower than −75 °C, and are very promising as stand-alone fuels or additives of other biofuels.
研究领域:
生物化学
·
可再生能源
✓ 已验证
产品关联
DOI
Sustainable Energy & Fuels
·
2022
·Vol. 6
·期 6
·1616-1624
·
IF 6.813
Haofei Gao,Fengan Han,Guangyi Li,Aiqin Wang,Yu Cong,Zhizhou Li,Wei Wang,Ning Li
In this work, jet fuel range high-density polycycloalkanes, dicyclohexylmethane and dodecahydrofluorene, were first synthesized by a two-step method with vanillin and cyclohexanone, two platform compounds that can be derived from lignin. In the first step, 2-(4-hydroxy-3-methoxybenzylidene)cyclohexan-1-one, a jet fuel range C13 polycycloalkane precursor, was obtained through an acid-catalyzed aldol condensation reaction between vanillin and cyclohexanone over a series of titanium dioxide based nanometer material catalysts. Among them, sulfated titania nanofibers (STNFs) exhibited the highest activity. Over them, a high yield (81%) of 2-(4-hydroxy-3-methoxybenzylidene)cyclohexan-1-one was obtained after the reaction was carried out at 423 K for 10 h. On the basis of the characterization results, the good performance of the STNF catalyst can be attributed to its higher acid strength and higher Brønsted to Lewis acid site ratio. Subsequently, the aldol condensation product was further converted to a mixture of dicyclohexylmethane and dodecahydrofluorene by hydrodeoxygenation (HDO) under the co-catalysis of Pd/C and H-Y zeolite. According to our measurement, the cycloalkane mixture as obtained from the HDO process has a higher density (0.95 g mL−1) and lower freezing point (256 K). As a potential application, it can be blended into low freezing point jet fuels to improve their volumetric heat values.
研究领域:
化学工程
·
能源科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF APPLIED POLYMER SCIENCE
·
2022
·Vol. 139
·期 46
·e53170
·
IF 3.057
Yinhan Xu,Jun Wang,Zhu Luo,Jianjun Li,Bai Xue,Xingjiang Chen,Xiaolong Li,Le Yang,Changkai Linghu,Yao Tao
The recycling of petroleum-based polymers such as polypropylene (PP) and polyethylene (PE) is an effective means of reducing environmental pollution. However, the incompatible PP and PE blended waste is difficult to separate accurately, which reduces the quality of the recycled material. In this paper, the trifunctional acrylate monomer (trimethylolpropane triacrylate), peroxide (2,5-dimethyl-92,5-di[tert-butylperoxy] hexane) and free radical activity modifier (zinc dimethyldithiocarbamate) were applied to in situ generate the copolymer of isotactic polypropylene and high-density polyethylene (iPP-co-HDPE) with a long-chain co-branched structure via a melt blending method. The co-crystallization of the branched copolymer chain segments with the chemical identical homopolymers vastly improved the compatibility of iPP and HDPE components. This in situ co-branching compatibility strategy resulted in a significant improvement in the mechanical properties of PE and PP mixed wastes. The temperature gradient extraction method was used to separate the co-branching modified iPP/HDPE blends. The results confirm that the separated iPP-co-HDPE components have a highly co-branched structure. The significant improvement in compatibility resulted in a large increase in elongation at break and impact strength of the iPP/HDPE blends, which provides an economic and effective method for the recycling of mixed PE and PP wastes.
研究领域:
材料科学
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
FUEL
·
2021
·
IF 6.609
Yakun Liu,Chengxiang Shi,Lun Pan,Xiangwen Zhang,Ji-Jun Zou
With the rapid development of aerospace industry, it is significantly necessary to develop advanced rocket fuels with high density, high specific impulse and good combustion performance. In this work, we report the synthesis of cyclopropanated pinanes through cyclopropanation of pinene. The reaction conditions including reaction time, solvent type, halohydrocarbon and molar ratio of zinc carbenoid to pinene were optimized. The basic physical properties of fuel, including density, kinematic viscosity, freezing point, calorific value, and combustion performance were tested, and the specific impulses of cyclopropanated pinanes were also calculated. Importantly, the cyclopropanated α- and β-pinane possess high density of 0.90 and 0.91 g/mL, specific impulse of 330.58 and 330.39 s, which results in higher volumetric specific impulse than reported rocket fuels. They also show good low-temperature performance and better ignition and combustion performance than JP-10. These excellent performances indicate that the cyclopropanated α- and β-pinane have great application prospect as high-energy rocket fuel.
研究领域:
燃料化学
·
航空航天工程
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2023
·
IF 15.1
Wei Feng,Mo Zheng,Jin Bai,Xianxian Zhang,Chuang Wu,Zhenxing Guo,Lingxue Kong,Zongqing Bai,Wen Li
Understanding the effects of co-pyrolysis synergies between low-rank coal and high-density polyethylene (HDPE) on the carbon structure evolution in char and the relationship between char structure and chemical bonds evolution is very needed. A combination of ReaxFF MD and experimental approaches provides an opportunity for fully understanding the dynamic profiles of char structures and coking trends during co-pyrolysis process of coal and HDPE. In this work, consistent conclusions were obtained from fixed-bed experiments and ReaxFF MD simulations in product distribution during both individual coal pyrolysis and co-pyrolysis at different temperatures. The ReaxFF MD simulation results reveal that adding HDPE partially inhibited the coking process of coal char. The RDF results indicated higher order degree and aromaticity exist in coal/HDPE(7:3)-Char when compared to those in coal-Char, which agrees well with the findings from XRD and FTIR approaches. By analyzing the evolution of C=C, C=O, C-O, C( sp 2 )-C( sp 3 ), C( sp 3 )-C( sp 3 ) and C( sp 2 )-H bonds in C 40 + fragments during secondary simulations of co-pyrolytic char, it was observed that the structural order and aromaticity of co-pyrolytic char increase with temperature, and the oxygen-containing bonds are the initial recombination sites for char formation. These findings provide rich theoretical information to complement the understanding of char structure in co-fed systems and the interaction between coal and HDPE blend.
研究领域:
化学工程
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
Energetic Materials Frontiers
·
2022
·
IF 0
Tian-yang Hou,Ze Xu,Xiao-peng Zhang,Yuan-gang Xu,Ming Lu
This study effectively synthesized N , N '-(diazene-1,2-diylbis(5-amino-[1,2,4]triazolo[1,5- a ][1,3,5]triazine-2,7-diyl)) dinitramide ( 3 ) by using 3,5-diamino-1,2,4-triazole as a starting material combining hydrogen bonds (HBs) and strong π-π stacking interaction between layers. Moreover, two fused rings were linked by an azo group to expand the conjugated compound, resulting in a shorter interlayer distance. The new compound and its energetic salts ( 4 – 6 ) were fully characterized through elemental analysis, IR spectroscopy, 1 H and 13 C NMR spectroscopy, and thermal analysis. The heats of formation and detonation properties of these compounds were calculated using Gaussian 09 and EXPLO5, respectively. The calculated results show that compounds 3 – 6 have both low impact and friction sensitivities (IS > 40 J; FS > 360 N) and favorable densities and detonation properties ( ρ : 1.81–1.96 g·cm −3 ; v D : 7965–8248 m·s −1 ; p: 24.9–31.4 GPa). Therefore, they are promising candidates for high-energy and insensitive explosives.
研究领域:
化学
·
材料科学
✓ 已验证
DOI
CHEMICAL ENGINEERING SCIENCE
·
2019
·
IF 3.372
Genkuo Nie,Yiying Dai,Yanan Liu,Junjian Xie,Si Gong,Nisha Afzal,Xiangwen Zhang,Lun Pan,Ji-Jun Zou
Synthesizing high performance jet fuel from biomass provides potential way to convert low-cost biomass to valuable fuels and meets the requirements of sustainable development. Here, we report a one-pot synthesis of high density and low freezing point jet-fuel-ranged blending from bio-derived phenol and cyclopentanol, which is with high yield, simple and low-cost for scale-up. With the co-presence of acid catalyst like Hβ and metal catlayst like Pd/C, the alkylation first happens to produce bi-and tri-cyclic compounds under N 2 atomphere, then in H 2 atmosphere the remained reactant is partly hydrogenated and takes part in alkylation again to produce cyclic compounds, finally hydrodeoxygenation happens to convert all the compounds to cyclic hydrocarbons. A jet-fuel-blending containing bi- and tri-cyclic alkanes is obtained at high molar yield of 83.9% from the starting reactant, which shows high density of 0.89 g/mL, freezing point lower than −75 °C. Especially, the major component, i.e. cyclopentylcyclohexane shows much better low-temperature properties compared with reported hydrocarbons with similar molecular structure. This result provides a simple, low-cost way to synthesize high performance jet fuel from biomass.
研究领域:
生物化学
·
可再生能源
✓ 已验证
产品关联
DOI
高影响因子
Catalysts
·
2019
·Vol. 9
·期 11
·886
·
IF 3.444
Wei Wang,Shaoying Sun,Fengan Han,Guangyi Li,Xianzhao Shao,Ning Li
Diesel and jet fuel range cycloalkanes were obtained in ~84.8% overall carbon yield with cyclopentanone and furfural, which can be produced from hemicellulose. Firstly, 2,5-bis(furan-2-ylmethyl)-cyclopentanone was prepared by the aldol condensation/hydrogenation reaction of cyclopentanone and furfural under solid base and selective hydrogenation catalyst. Over the optimized catalyst (Pd/C-CaO), 98.5% carbon yield of 2,5-bis(furan-2-ylmethyl)-cyclopentanone was acquired at 423 K. Subsequently, the 2,5-bis(furan-2-ylmethyl)-cyclopentanone was further hydrodeoxygenated over the M/H-ZSM-5(Pd, Pt and Ru) catalyst. Overall, 86.1% carbon yield of diesel and jet fuel range cycloalkanes was gained over the Pd/H-ZSM-5 catalyst under solvent-free conditions. The cycloalkane mixture obtained in this work has a high density (0.82 g mL−1) and a low freezing point (241.7 K). Therefore, it can be mixed into diesel and jet fuel to increase their volumetric heat values or payloads.Keywords:high density fuel;cyclopentanone;furfural;aldol condensation;hydrodeoxygenation
研究领域:
能源化学
·
催化反应工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF VINYL & ADDITIVE TECHNOLOGY
·
2023
·Vol. 29
·期 6
·991-1001
·
IF 2.7
Hua Zhou,Liangdong Ye,Dongming Chen,Ziwei Li,Shanrong Li,Dacheng Li,Zhiyi Huang,Zhouqiao Wei,Shaorong Lu
Graphite is a thermally conductive filler. However, when dispersed into high density poly(ethylene) (HDPE) resin, graphite particles tend to agglomerate and requires a compatibilizer to achieve desired thermal/physical properties. In this study, oleic acid (OA), a bio-based additive and polyethylene-polyamines (PEPA) were used to synthesize a new compatibilizer, PEPA-g-OA, containing numerous NR 2 groups. The experimental results showed that PEPA-g-OA can significantly improve the compatibility between graphite particles and the HDPE matrix due to uniform dispersion of graphite in the HDPE matrix. When the graphite content was 25 wt%, the thermal conductivity of the composite recorded 1.2 W m −1 K −1 (three times that of neat HDPE) and the volume resistivity was 1.8 × 10 9 Ω cm, indicating excellent electrical insulation. Compared to the composites with no graphite content, the properties of the composites with 25 wt% graphite content exhibited narrower melting and crystallization peaks, more stable mechanical properties, and higher ultraviolet aging resistance. Synthesized new bio-based compatibilizer and thermally conductive and electrically insulating composites developed in this study can be useful in different industrial fields for the preparation of the next generation composites.
研究领域:
材料科学
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
Polymers
·
2024
·Vol. 16
·期 6
·797
·
IF 4.7
Zixuan Yang,Xin Meng,Guangda Zeng,Jinguang Wei,Chuangui Wang,Wenji Yu
Bamboo scrimber is acknowledged for its eco-friendly potential as a structural material. Its properties are significantly affected by both its density and resin content, but the effect of resin content on the properties under high density is not yet known. In this study, the microstructure, water resistance, mechanical properties, and thermal stability of bamboo scrimbers with varying resin content at a density of 1.30 g/cm3were investigated. The results unearthed that phenolic resin assisted in the densification of bamboo cells during hot pressing, and a higher resin content could effectively reduce the cracks in the scrimber. The inherent cellulose I structure remained unaffected, but an increase in resin content led to a noticeable decline in crystallinity. Additionally, an increase in resin content pronouncedly improved the water resistance and dimensional stability of bamboo scrimbers. The water absorption and thickness swelling were as low as 9.67% and 7.62%, respectively. The modulus of rupture (MOR) exhibited a marginal increase with the amount of resin, whereas the compressive strength and short-beam shearing strength first increased and then decreased. Their peak strengths were 327.87 MPa at a resin content of 15 wt.%, and 168.85 MPa and 25.96 MPa at 11 wt.%, respectively. However, phenolic resin accelerated the thermal decomposition of bamboo scrimbers, and more resin worsened the thermal stability. These research outcomes offer a dual advantage, providing both a theoretical foundation and concrete data that can inform the production and practical application of high-density bamboo scrimbers.
研究领域:
材料科学
·
林产化学加工工程
✓ 已验证
DOI
PubMed
高影响因子
FUEL
·
2025
·
IF 7.5
Yuhang Fang,Menglong Niu,Yue Ji,Yongli Yan,Ben Niu,Xiaohua Chai,Baoqi Ma
To address the bottleneck of insufficient fuel density in Coal Tar (CT), this study proposes a molecular group-oriented ring expansion modification strategy to enhance the content of condensed polycyclic aromatic hydrocarbons (PAHs) and optimize hydrogenation processes for high-density fuel production. Three modifiers—furan (FA), maleic anhydride (MA), and NA anhydride (NA)—combined with Lewis acid catalysts (AlCl 3 , FeCl 3 , etc.) were employed to modify low- and medium-temperature CT. The modified products were characterized using GC–MS, FT-IR, Raman spectroscopy, and 13 C NMR. Fuel performance was evaluated via density, viscosity, calorific value, and hydrogenation experiments under optimized conditions with a Ni-Mo/γ-Al 2 O 3 catalyst. Post-modification, the tricyclic aromatic hydrocarbon content increased by 20 %, the condensed aromatic peak area rose by 450 %, and the graphitization degree improved by up to 120 %. MA demonstrated the best modification effect, yielding a hydrogenated product with a density of 0.9547 g/mL and a calorific value of 42.2 MJ/kg. Kinetic analysis identified AlCl 3 -catalyzed reactions at 100 °C for 24 h as optimal, involving synergistic Diels-Alder and Friedel-Crafts alkylation mechanisms. This work pioneers a molecular group-oriented ring expansion strategy for CT, overcoming the limitations of traditional hydrogenation in enhancing ring numbers and offering a novel pathway for coal-based high-density fuel development.
研究领域:
能源化学
·
催化反应工程
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）