COMBUSTION AND FLAME
·
2022
·
IF 5.767
Kai-Ru Jin,Zhi-Hao Zheng,Ling-Nan Wu,Qiang Xu,Bing-Zhi Liu,Zhan-Dong Wang,Zhen-Yu Tian
Pyrolysis of norbornadiene (NBD) was investigated in a jet-stirred reactor at 760 torr and within the temperature range of 560 to 1100 K. 37 products and intermediates ranging from m/z = 26 to 178 were identified and quantified by using synchrotron radiation photoionization molecular-beam mass spectrometry accompanied by gas chromatography . The C 7 H 8 isomers, including NBD, cycloheptatriene (CHT) and toluene (A1CH 3 ), were differentiated. Acetylene (C 2 H 2 ), cyclopentadiene (C 5 H 6 ), C 7 H 8 isomers and other aromatics are abundant during the pyrolysis process. A detailed kinetic model was developed with reasonable predictions against the measured results, involving 264 species and 1259 reactions, which is helpful to understand the kinetic and heat features of initial consumption as well as the synergistic effect of C 2 H 2 , C 5 H 6 and A1CH 3 to the formation of aromatics. Rate-of-production analysis shows that the pyrolysis of NBD experiences two stages. The first stage involves the isomerization and decomposition of NBD, yielding A1CH 3 , CHT, C 5 H 6 and C 2 H 2 . Branching ratio analysis shows that C 5 H 6 and C 2 H 2 are dominant products in the first stage. Heat release analysis indicates that the first stage is endothermic. The second stage involves the pyrolysis and interactions of first-stage products to produce light hydrocarbons and polycyclic aromatic hydrocarbons like indene, naphthalene , acenaphthylene, fluorene and phenanthrene. Three routes dominate the formation of indene, including C 5 H 6 + C 5 H 5 , benzyl radical + C 2 H 2 and cycloheptatrienyl radical + C 2 H 2 , the last one of which has been scarcely considered in the previous investigation. Sensitivity analysis indicates the reactions in the first stage exhibit strong promoting effects for the consumption of NBD, while the second-stage reactions play minor roles in NBD consumption. This work would enrich the understanding of NBD consumption, PAH formation and heat release.
研究领域:
化学动力学
·
燃料化学
✓ 已验证
DOI
高影响因子
APPLIED SURFACE SCIENCE
·
2025
·
IF 6.9
Fajie Hu,Rushuo Li,Danfeng Zhao,Xiubing Huang,Ge Wang
The hydrogenation of dicyclopentadiene (DCPD) to synthesize tetrahydrodicyclopentadiene (THDCPD) is one of the key processes for the preparation of high-energy–density fuels, and the development of low-temperature and high-activity Ni catalysts is still challenging. In this work, hierarchical porous (HP) Ce-UiO-66 loaded Ni nanoparticles (NPs) catalysts were prepared based on the soft template method and liquid-phase in situ reduction method. The introduction of mesopores into Ce-UiO-66 can effectively enhance the transfer and adsorption of the substrate, and Ni NPs act as the main active centers. Furthermore, the modulation of the electronic structure of Ni NPs and the promotion of Ce-Ni interaction were effectively achieved by changing the in-situ deposition conditions. With a low loading of 3 wt% Ni NPs, the prepared 3Ni/HP-UiO-66 catalysts could achieve the observed complete DCPD conversion and 100 % selectivity of THDCPD within 1 h and retained good cycling stability. The results demonstrated preferential adsorption and hydrogenation of the norbornene ring, confirming the reaction pathway of the 3Ni/HP-UiO-66 catalyst for the hydrogenation of DCPD. The present work provides a guidance for exploring and designing non-noble metal catalysts for the hydrogenation of olefins and aromatics.
研究领域:
催化化学
·
材料科学
·
能源化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Xiaolin Zhao,Ji Mi,Yitong Dai,Guijin He,Yongsheng Guo,Wenjun Fang
exo-Tetrahydrodicyclopentadiene can serve as both the propellant and coolant in hypersonic vehicles. However, its applications are restricted by the poor properties of ignition and combustion to some extent. Fuel additives such as appropriate alcohols have the ability to overcome these deficits. Research on thermophysical properties of the mixtures composed of exo-tetrahydrodicyclopentadiene and fuel additives can provide important information for the research of fuel additives. In this work, densities and viscosities of the ternary system of exo-tetrahydrodicyclopentadiene (1) + n-decane (2) + iso-butanol (3) and three corresponding binary systems have been measured over the whole composition range in the temperature range from 293.15 to 333.15 K with an interval of 5 K and at pressure p = 0.1 MPa. The values of excess molar volumes (VmE) and viscosity deviations (Δη) of three binary systems and the ternary system were calculated and then fitted to the Redlich–Kister equation and four semi-empirical equations, respectively. The variations of VmE and Δη were explained from the viewpoints of intermolecular forces and structural effects. Furthermore, the Jouyban–Acree model was used to correlate the values of densities (ρ) and viscosities (η) of the studied mixtures with high accuracy.
研究领域:
物理化学
·
燃料工程
✓ 已验证
产品关联
DOI
高影响因子
Advanced Composites and Hybrid Materials
·
2021
·Vol. 4
·期 3
·639-646
·
IF 5.693
Wang Ping,Yang Li,Gao Shang,Chen Xinliang,Cao Tian,Wang Chong,Liu Hu,Hu Xianhai,Wu Xiusheng,Feng Shaojie
Abstract Frontal ring-opening metathesis polymerization was used to in situ prepare polydicyclopentadiene (PDCPD)/carbon nanotubes (CNTs) and PDCPD/CNT-NH 2 composites with high glass transition temperature. Compared with PDCPD/CNT composites, PDCPD/CNT-NH 2 composites have similar dielectric constants, but their loss tangent significantly reduces. The uniform dispersion of CNT-NH 2 leads to the formation of dielectric interfacial polarization. The results of dynamic mechanical analysis (DMA) showed that the glass transition temperature ( T g ) of the composites increased with the increase of filler. With the increase of the filler, the elongation at break of the PDCPD/CNT composites decreased, while the elongation at break of PDCPD/CNT-NH 2 composites increased, reaching up to 17% because of the stronger interfacial affinity. The PDCPD/CNT-NH 2 composites exhibited high dielectric permittivity (47.5 at a frequency of 100 Hz) that originates from the interfacial polarization between PDCPD and CNT-NH 2 , and the nonconducting –NH 2 groups can prevent the conductive path of CNTs and support a low loss tangent (0.096). Graphical abstract High T g
PDCPD/CNT-NH 2 composite with enhanced dielectric properties was
prepared by a simple and quick one-step reaction method of FROMP.
Keywords: Polydicyclopentadiene;
Composites; Carbon nanotubes; Dielectric properties, Interfacial polarization
研究领域:
材料科学
·
电气工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
·
2018
·Vol. 47
·期 3
·544-559
·
IF 1.401
Li Dan,Wu Qian,Liu Li,Guo Meng,Wang Huiqin
Measurements of density, viscosity and vapor pressure for binary mixtures of exo -tetrahydrodicyclopentadiene (JP-10) with isopropyl ether are reported at temperatures of (293.15, 298.15, 303.15, 308.15, and 313.15) K over the entire composition range. The excess molar volumes, viscosity deviation and excess Gibbs energies of activation for the binary systems were calculated from the experimental values and fitted with the Redlich–Kister equation. Isopropyl ether was added to enhance the vapor pressure of JP-10. Experimental vapor pressure data were correlated by the Antoine equation. Several semi-empirical equations were used to correlate the viscosity data. The McAllister equation gives relatively satisfactory results for the correlation. The experimental and correlated data could be used in the development of models for mixtures of hydrocarbons with oxygenates.
研究领域:
物理化学
·
流体性质
·
燃料科学
✓ 已验证
DOI
高影响因子
SmartMat
·
2021
·Vol. 2
·期 1
·109-118
·
IF 0
Qin Tang,Guangpu Zhang,Bohong Jiang,Deyang Ji,Huihui Kong,Kristina Riehemann,Qingmin Ji,Harald Fuchs
Fullerene assembling with specific donor molecules would yield multifunctional metamaterials via the collective behavior, wherein linear acenes are widely used as donor molecules to construct the charge-transfer heterojunction structure with fullerene. However, they are generally prepared by vacuum deposition due to the insoluble property of high-performance linear acenes molecules in common solvents, which makes the construction of fullerene with insoluble donor molecules still be a big challenge in the solution-processed method. To this end, chemical modification provides an effective solution-processed strategy to construct donor and acceptor systems. Here, the C 60 -pentacene is assembled into controllable flower-like superstructures by the surface grafting method. It is found that the nanofeatures of the microflowers could be regulated by temperature, resulting in dense-flakes morphology at room temperature and loose flakes at high temperatures. Furthermore, the dense-flakes microflowers structures with less mass but better crystalline structure exhibit better optoelectronic properties. Our results reveal an effective control on the nanofeatures of the self-assembled fullerenes complex superstructures and their role for the optoelectronic performance, which may promote the exploring of fullerene superstructures as photodetectors.
研究领域:
材料科学
·
光电技术
✓ 已验证
DOI
INDUSTRIAL CROPS AND PRODUCTS
·
2013
·
IF 2.468
Chengguo Liu,Wen Lei,Zhengchun Cai,Jianqiang Chen,Lihong Hu,Yan Dai,Yonghong Zhou
Unsaturated polyester resin terminated with dicyclopentadiene (DCPD-UPR) was modified by tung oil (TO) via intermolecular Diels–Alder reaction occurring at the later stage of melt polycondensation. These TO-modified DCPD-UPR (DCPD-UPR-TO) polymers were characterized by FT-IR, 1 H NMR, and gel permeation chromatography. The DCPD-UPR-TO polymers were further blended with styrene comonomer and cured via free-radical polymerization to give crosslinked thermosetting polymers. Scanning electron microscopy was employed to produce surface morphology and dynamic mechanical analysis was conducted to study the thermo-mechanical properties. Thermal and mechanical properties of these biomaterials were also investigated and the results show that toughness of them increases obviously as the increase of TO content. Compared with the neat DCPD-UPR matrix, the matrix obtained from DCPD-UPR-TO with a TO content of 20% has maximum increase of 373% and 875% in impact strength and tensile failure strain due to the synergistic effects of phase separation and crosslink density. However, the optimum amount of tung oil is 10% because its polymer matrix gives a best stiffness–toughness balance. These oil-based polymer materials show promise as an alternative to replace petroleum-based materials.
研究领域:
材料科学
·
化学工程
✓ 已验证
DOI
高影响因子
ENERGY & FUELS
·
2024
·
IF 5.2
Dandan Jia,Jie Zhao,Rui Yan,Hongyi Gao,Zhaolin Fu,Zhongpeng Zhu,Zhiping Tao
The catalytic stability has always been a bottleneck of many reactions in industrial production. The preparation of long-life hydrogenation catalysts has been a hot research topic. Herein, Ni-ZIF was first grown in situ on the surface of SiO2. N-doped Ni/C nanoparticles were uniformly distributed on the SiO2 support after the subsequent annealing process. The uniform dispersion of Ni-ZIF contributed to the high dispersion of the active metal, and the highly dispersed Ni nanoparticles were free from thick carbon layers. The highly dispersed and fully exposed Ni determined its excellent low-temperature hydrogenation activity, which was critical for the extension of the catalyst lifetime. The presence of carbon and nitrogen was also beneficial to improve the stability of the catalyst. The N-doped SiO2@Ni/C catalyst exhibited excellent stability toward the hydrogenation of DCPD under mild condition. 100% DCPD conversion and >90% THDCPD selectivity were maintained after 144 h of continuous fixed-bed operation under GHSV of 2 h–1 at 60–90 °C.
研究领域:
催化化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
ACS Catalysis
·
2021
·
IF 13.084
Ran Wang,Yanting Liu,Guangyi Li,Aiqin Wang,Xiaodong Wang,Yu Cong,Tao Zhang,Ning Li
Methylcyclopentadiene (MCPD) is a widely utilized intermediate in the synthesis of advanced aviation fuels and valuable chemicals. However, the low yield from fossil energy and the high price of MCPD greatly limit its application on a large scale. To fulfill the increasing market demand of MCPD, it is imperative to explore efficient and integrated technologies for the production of renewable MCPD from low cost and more available biomass. In this work, Zn3Mo2O9 was obtained via a simple precipitation method and demonstrated excellent catalytic performance for the direct synthesis of MCPD with 2,5-hexanedione (HD), a platform compound that can be directly produced by the selective hydrogenolysis of cellulose. Over it, a good molar yield of MCPD (65%) was obtained by the cascade intramolecular aldol condensation/selective hydrodeoxygenation reaction at 400 °C under atmospheric pressure. On the basis of the characterization results, the Zn3Mo2O9 catalyst has a higher specific BET surface area than the rest of the catalysts, which are favorable for the adsorption and mass transfer of the reactant. Meanwhile, the Zn3Mo2O9 catalyst also has relatively higher reducibility that will lead to the emergence of more oxygen vacancies (or Mo5+ species) under the investigated conditions. All of these characteristics lead to higher activity, better selectivity, and good stability of the Zn3Mo2O9 catalyst in the direct conversion of HD to MCPD. Because of its excellent hydrodeoxygenation performance, the Zn3Mo2O9 catalyst can also be used as the catalyst for the direct production of renewable dienes with other biomass-derived α,β-unsaturated ketones.
研究领域:
化学工程
·
催化材料
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MATERIALS SCIENCE
·
2024
·Vol. 59
·期 18
·7779-7792
·
IF 3.5
Zhan Qingyan,Yang Po
Frontal ring-opening metathesis polymerization (FROMP) of dicyclopentadiene (DCPD) shows promise for manufacturing thermosets and composites. To widen the applications, this work develops a novel approach for the upgrading of polydicyclopentadiene (PDCPD) and fiber-reinforced composites via sequential FROMP and radical reactions to achieve high performance. Herein, we mixed DCPD, Grubbs catalyst and radical initiators in one pot, and initiated FROMP, a self-perpetuating reaction, to obtain FROMP-prepared PDCPD. Then, the further radical reactions were carried out at elevated temperature. With our strategy, the performances of PDCPD and its composites were dramatically upgraded. For instance, the T g of PDCPD could be significantly improved from ~171 °C to ~240 °C. The T g , flexural strength and modulus of FROMP fabricated composite were successively increased from 141 °C, 135.3 MPa and 36.9 GPa to 262 °C, 467.1 MPa and 43.2 GPa, respectively. We believe that this novel strategy will greatly improve the performance of PDCPD and composites, and open new avenues to apply FROMP to wider applications. Graphical Abstract
研究领域:
材料科学
·
高分子化学
·
复合材料
✓ 已验证
产品关联
DOI
高影响因子
POLYMER ENGINEERING AND SCIENCE
·
2024
·Vol. 64
·期 7
·3289-3302
·
IF 3.2
Xian Wang,Zehan Zhang,Feng Gao,Xuelian He
Surface chemical grafting modifications of carbon fibers (CFs) using 5-(triethoxysilyl)norbornene (TOS), norbornene carboxylic acid tert-butyl ester (NB-TBE), and 5-norbornene-2,3-dicarboxylic anhydride (NA) improved interfacial interactions between CFs and poly(dicyclopentadiene) (PDCPD) resin. The ring-opening metathesis polymerization (ROMP) of DCPD, catalyzed by Grubbs catalyst II, enabled the fabrication of PDCPD/CF layered composite materials with resin and fibers tightly adhered. The optimal composite exhibited remarkable mechanical properties, with a tensile strength of 654.6 MPa and flexural strength of 510.7 MPa. Excellent thermal stability with a maximum weight loss rate in temperatures above 450°C and good chemical resistance with a weight change of about 1% in both acidic and alkaline media highlight the promising potential of these materials for use in harsh environments. The simple yet efficient approach of TOS, NB-TBE, and NA-enhanced layered CF shows great promise as advanced composite materials for industrial applications. Highlights Norbornene derivatives such as TOS, NB-TBE, and NA are suitable modifiers for CF. ROMP of DCPD and norbornene group onto CFs, fabrication of PDCPD/CF composite materials. The composite exhibited remarkable interfacial adhesion and mechanical properties.
研究领域:
材料科学
·
复合材料
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2019
·
IF 2.298
Lu Zhao,Dengfeng Ye,Yongsheng Guo,Wenjun Fang
Oxygenated additives have been proved to improve the property of an aviation fuel, such as reducing pernicious emissions and adjusting physical properties, and an appropriate alcohol is usually a typical candidate. To understand the properties of high-energy-density hydrocarbon fuels with alcohol, densities (ρ) and viscosities (η) of ternary system, cyclopentanol + exo-tetrahydrodicyclopentadiene (JP-10) + 1,3-dimethyladamantane (1,3-DMA), and their corresponding binary systems, have been determined over the whole composition range at different temperatures, T = (293.15–333.15) K, and atmospheric pressure, p = 0.1 MPa. The excess molar volumes (VmE) and the viscosity deviations (Δη) of the binary systems mixtures were calculated and fitted to the Redlich–Kister equation, while those of the ternary systems were calculated and fitted to four different semiempirical equations. The results show that the addition of cyclopentanol can lead to a little higher density and a lower viscosity, which are beneficial to the design and performance of hydrocarbon fuels.
研究领域:
化学工程
·
燃料科学
✓ 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）