COMBUSTION AND FLAME
·
2024
·
IF 5.8
Hong Wang,Bingzhi Liu,Qiang Xu,Shijun Dong,Zhandong Wang,Long Zhu
Cyclopentanone (CPN) is a widely available biofuel with excellent combustion properties, but detailed speciation profiles during its pyrolysis have rarely been studied. This work examines the pyrolysis of CPN in a jet-stirred reactor (JSR) at atmospheric pressure, with residence time of 2 s and a temperature range from 830 K to 1100 K. Dozens of pyrolysis intermediates and products were measured using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) and gas chromatography (GC). Among them, several new species were observed, including water, carbon dioxide , formaldehyde, indene , 1,2-dihydroindene, naphthalene , 1,2-dihydronaphthalene, 1-methylnaphthalene, acenaphthylene , biphenyl , and fluorene . A detailed kinetic model was developed based on the literature, and in general, it predicted the experimental results for most species well. Kinetic analyses indicated that the consumption of CPN was controlled by the bimolecular reactions with H atom. The formation of water, carbon dioxide and formaldehyde could be explained by the reaction pathways of OH radical. The pyrolysis of CPN yielded a significant number of alkenes and alkynes at higher temperatures; the bimolecular addition reactions of these species with resonantly stabilized radicals are important to the formation of polycyclic aromatic hydrocarbons (PAHs). Based on those, this work provides valuable insights into CPN pyrolysis chemistry and it promotes the development of a comprehensive CPN combustion model.
研究领域:
燃烧化学
·
能源化学
·
反应动力学
·
分析化学
·
环境化学
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Nature Communications
·
2026
·
IF 18.1
Li Yuxiang,Xie Junliang,Weng Tingyi,Lu Zhenjie,Yan Xing,Liu Yanhui,Lu Shuaishuai,Zhang Shengli,Chen Huan,Jiang Fang
Despite the short-term industrial landscape remaining unchanged, green synthesis technologies for ammonia (NH 3 ) and hydroxylamine (NH 2 OH) are critical for carbon neutrality. Alternatively, electrocatalytic nitrate reduction (NIRR) can be integrated with membrane separation technology via a modular design, simultaneously achieving pollution control and resource recovery. However, the microscopic mechanism of NIRR remains ambiguous given the complex dynamic catalytic interface, hindering advanced catalyst development. Here, we propose a three-step synergistic mechanism at dynamic catalytic interface, which integrates interfacial microenvironment regulation, OH species cycle, and reverse hydrogen spillover for efficient NH 3 and NH 2 OH synthesis across different scenarios. Notably, dual-site heterostructure catalyst exhibits almost 100% NH 3 -Faradaic Efficiency (FE NH3 ) across a wide nitrate concentration range, reaching a maximum NH 3 yield of 10.27 mmol h −1 cm −2 . The simultaneous NH 3 synthesis-recovery system maintains almost 100% FE NH3 and NH 3 recovery efficiency over 120 h, accompanied by long-term durability and negligible performance degradation. Additionally, cyclopentanone-mediated NIRR process delivers a satisfactory NH 2 OH-Faradaic Efficiency (83.48%), and the assembled zinc-nitrate battery achieves a high peak power density (57.6 mW cm −2 ).
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·
IF 2.4
Ke Yujiang,Huang Lemei,Che Chaohui,Chen Yihui,Zhan Junyong,Wu Kui
The solubility of 8-Hydroxyquinoline (8-HQ) was investigated
in
16 pure solvents, including eight alcohols (methanol, ethanol, n -propanol, isopropanol, n -butanol, isobutanol, n -pentanol, isopentanol), four ketones (2-butanone, 2-pentanone,
cyclopentanone, cyclohexanone), three esters (ethyl formate, methyl
acetate, ethyl acetate) and acetonitrile. The stability of the crystalline
form during dissolution was confirmed by X-ray powder diffraction
(XRPD), and the melting properties were characterized via differential
scanning calorimetry (DSC). Five thermodynamic models, namely the
modified Apelblat equation, the λ h model, the
nonrandom two-liquid (NRTL) model, the Wilson model, and the Yaws
model, were employed to correlate the experimental solubility data.
The fitting performance of each model was assessed using the coefficient
of determination ( R 2 ), relative average
deviation (RAD), and root-mean-square deviation (RMSD). The results
demonstrate that the molar solubility of 8-HQ increases monotonically
with temperature, and all five models provide satisfactory correlation
of the experimental data. Furthermore, mixing thermodynamic properties
(Gibbs free energy, enthalpy, and entropy) calculated from Wilson
model parameters reveal that mixing between 8-HQ and every solvent
is spontaneous and entropy-driven. This work provides a comprehensive
solubility database for 8-HQ, offering essential thermodynamic evidence
and model support for the design of high-yield crystallization processes.
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ORGANIC ELECTRONICS
·
2026
·
IF 2.9
Mengyun Zhang,Wanxun Li,Chenru Zhao,Farida Tatardar,Levent Parali,Anna Guliakova,Guodong Zhu
Neuromorphic electronics refer to a new class of electronic devices inspired by the biological nervous system, which mimic the operation of synaptic information processing to break through the bottleneck of traditional Von Neumann Architecture. As three-terminal devices, thin film transistors intrinsically can be utilized to simulate artificial synaptic functions. Here we reported a kind of optoelectrical synaptic transistors with UV light-sensitive semiconducting molecules as active layer and composite of solid electrolyte and ferroelectric relaxor as gate dielectric. Migration and relaxation of ions in electrolyte under electrical field endowed the devices with electrical synaptic behaviors, while UV response of organic semiconductor further extends synaptic behaviors to UV light stimulus. By combing both electrical and UV excitations, the transistor devices were further developed for experimental simulation of classical conditioned reflex of the Pavlov's Dog.
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CHINESE JOURNAL OF CHEMICAL ENGINEERING
·
2026
·
IF 3.5
Kui Wu,Yujiang Ke,Lemei Huang,Chaohui Che
The molar solubility of p -Nitrobenzeneacetonitrile (PNBC) in 16 pure organic solvents was determined gravimetrically over the temperature range of 272.15 to 323.65 K at 101.3 kPa. Five thermodynamic models, namely the modified Apelblat, λh , NRTL, Wilson and Yaws models, were applied to correlate the solubility data, with the Yaws and modified Apelblat models showing the highest fitting accuracy. Molecular electrostatic potential surface (MEPS) analysis identified nitro oxygen and cyano nitrogen as the main hydrogen-bond acceptor sites of PNBC. Density functional theory (DFT) calculations further elucidated solute-solvent interaction energies and the underlying intermolecular interaction mechanisms. KAT-LSER model analysis revealed that solvent dipole/polarizability ( π *) promotes PNBC solubility, while hydrogen-bonding acidity ( α ) and basicity ( β ) exert inhibitory effects. Mixing thermodynamic properties (Δ mix G , Δ mix H , Δ mix S ) calculated via the Wilson model indicated that the mixing process of PNBC with solvents is spontaneous, entropy-driven, and endothermic. This work establishes a reliable PNBC solubility database, and clarifies its dissolution mechanism from macro to micro scales, offering critical thermodynamic support for the industrial crystallization and purification of PNBC.
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POSTHARVEST BIOLOGY AND TECHNOLOGY
·
2025
·
IF 6.8
Ke Xing,Si Yang,Jing Tao,Sun-Yan Liang,Su-Yun Kong,Sheng Qin
Gray mold disease caused by Botrytis cinerea severely compromises postharvest strawberry quality. As an eco-friendly alternative to chemical fungicides, biological control agents based on microbial volatile organic compounds (VOCs) have emerged as promising candidates. This study developed a VOC-producing fumigant derived from wheat grain-cultured Streptomyces setonii WY228 to control gray mold in postharvest strawberries. Key parameters influencing the fumigant’s antifungal activity, including inoculation volume, culture temperature, incubation time, moisture content and dosage of wheat grains, were systematically optimized to establish a preparation strategy. Storage at 4 °C with vacuum maintained 70 % B. cinerea inhibition with sustained viability of fumigant for 90 d. Application of the fumigant at 26.7 g L −1 suppressed gray mold in postharvest strawberries. The firmness, ascorbic acid content, titratable acidity, and superoxide dismutase activity of fumigated strawberries were 42 %, 54 %, 24 %, and 160 % higher than those of the positive control group, respectively. Four main compounds in VOCs were identified as methyl 2-furoate, 2-methylbutyric acid, 4-methylpentanoic acid, and cyclopentanone, and exhibited antifungal activity and gray mold suppression in strawberries. The wheat grain solid fumigant prepared by S. setonii WY228 demonstrates potential as a biological control agent for gray mold suppression in postharvest strawberries.
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APPLIED CATALYSIS B-ENVIRONMENTAL
·
2026
·
IF 21.1
Kaiyang Xu,Lingfeng Weng,Qing Han,Bo Liu,Lizhi Wu,Li Tan,Yihu Dai,Yuanjie Xu,Yu Tang
Cyclopentanone (CPO) as a key raw material has been widely applied in spices, pharmaceuticals, and sustainable fuels. The catalytic conversion of biomass-derived furfural (FAL) to CPO meets the requirements of sustainable development goal but still be challenging because of the relatively low selectivity of CPO in the complex tandem catalytic processes. Herein, a Ni/WO 3 -H 2 catalyst presents a cooperative interface that possesses hetero-valent interface of Ni 0 (metallic) and Ni 2+ (interfacial NiWO 4 ), oxygen vacancies (O v ), and acid sites simultaneously was prepared and applied in the tandem hydrogenative ring-rearrangement of FAL to CPO. Under 160 °C and 3 MPa of initial hydrogen pressure, the catalyst achieved 90.3 % furfural conversion and 96.9 % selectivity to CPO, with a turnover rate of 4.26 mmol·g cat ⁻¹ ·h⁻¹ . Moreover, the Ni/WO 3 -H 2 catalyst demonstrated excellent stability and recyclability. Further investigation on reaction mechanism shows that the synergy of each active site, Ni 0 , Ni 2+ (NiWO 4 ), oxygen vacancies (O v ), and acid sites, promotes the conversion of FAL to CPO and effectively avoids the undesired side reaction. Accordingly, a multi-site cooperative mechanism is proposed: FAL hydrogenates to FOL on Ni 0 sites; acid sites rearrange FOL to HCP, which dehydrates at O v sites to CPE; ultimately, CPE is hydrogenated to CPO on Ni hetero-valent interface.
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Small Methods
·
2026
·
IF 9.1
Shicui Xing,Dong Wang,Zhipeng Fan,Xu Wang,Wenbing Kang,Qianqian Wang
The integration of functional metal-oxide nanomaterials into high-performance devices is contingent on their precise patterning into two- or 3D nanostructures. Nevertheless, the limited solubility and poor film-forming properties of these materials pose significant challenges for nanopatterning. Conventional methodologies are predicated on the utilization of photoresist for the lithographic pattern transfer to metal-containing layers, a process that complicates the overall process. In this work, we present a photoresist-free lithographic approach that uses solution-processable, carboxylic acid-modified titanium oxide nanoparticles (TiO 2 NPs), which are rationally synthesized via controlled coordination-hydrolysis reactions, to realize TiO 2 nanopatterning. Electron beam exposure has been demonstrated to enable sub-20 nm patterning, achieving feature sizes as small as 14 nm without the need for an additional sacrificial photoresist layer. The patterning mechanism, involving electron-induced dissociation of carboxylic acid ligands, has been confirmed by X-ray photoelectron spectroscopy and thermogravimetric-mass spectrometry. The post-annealing treatment has been demonstrated to preserve the structural integrity of the nanopatterns, whilst concomitantly promoting the crystallization process, resulting in the formation of anatase or anatase-rutile mixtures. This method facilitates the fabrication process whilst enabling high-resolution TiO 2 patterning, thus offering a promising route for advanced device integration.
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Journal of Environmental Chemical Engineering
·
2026
·Vol. 14
·期 2
·121185
·
IF 7.2
Peng Gao,Li Liu,Guirong Bao,Dequan Chen,Jia Luo,Xuewu Ji,Wenyao Deng
The conversion of furfural (FF) to cyclopentanone (CPO) via selective hydrogenation-rearrangement represents a crucial route for sustainable, high-value valorization of renewable biomass feedstocks. In this study, carbon dots (CDs) were utilized as both a reducing and a dispersing agent for the one-pot green photoreduction synthesis of PdAg bimetallic catalysts supported on CDs (Pd x Ag y /CDs) in aqueous phase. Among the catalysts with varying Pd-to-Ag molar ratios, the Pd 0.5 Ag 1 /CDs catalyst demonstrated exceptional performance, achieving 100 % FF conversion and 93.3 % CPO selectivity within 4 h at 200 °C. The superior activity is attributed to a synergistic effect between the acid sites on the CDs and the PdAg alloy, which facilitates the rearrangement of the intermediate furfuryl alcohol (FA). Mechanistic studies, including calculations of the free energy barriers for elementary steps from FA to 4-hydroxy-2-cyclopentenone, revealed a ring-opening pathway for the furan methyl carbocation, which dramatically reduces the reaction energy barrier to 47.1 kJ/mol from 195.8 kJ/mol of the Piancatelli pathway. This work not only presents an efficient and green catalyst for FF upgrading but also highlights the promising application of CDs in advanced catalytic systems for circular economy-driven chemical production.
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Molecular Catalysis
·
2022
·
IF 5.089
Liting Ti,Xueru Sheng,Haiyuan Jia,Wenjia Han,Qingwei Ping,Jinfan Yang,Ning Li
Cyclopentanone self-condensation is an attractive reaction for the production of sustainable aviation fuel. However, the catalysts used for this reaction are usually complex or time-consuming to prepare. The reaction also needs to be carried out at a high temperature and over a long reaction time. In this paper, an integrated process for catalyst preparation and self-condensation via the ball-milling method was proposed. Compared with the thermocatalytic method, this process can be implemented with higher product yield (98.6% vs . 85.0%), lower energy demand (0.43 kWh· g −1 vs . 1.31 kWh· g −1 ), less preparation and reaction time (3 h vs . 32 h) at room temperature. According to characterizations, the excellent catalytic activity of catalysts prepared by the ball-milling method can be attributed to two reasons: (i) Smaller particles are formed during the ball-milling process, which is more conducive to catalyst and reactant contact during the reaction; (ii) Less moisture is absorbed by the catalyst, which has a positive effect on catalytic activity.
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FUEL
·
2023
·
IF 7.4
Junjian Xie,Yuxuan Liang,Bo Yang,Jun Zhang,Jiawei Xie,Ji-Jun Zou,Qiuyu Zhang
Solar-energy-driven synthesis of high-density biofuels can help to achieve the dual carbon goal of the aviation industry sooner. Herein, a novel photo-Conia strategy was developed for synthesis of high-performance asymmetric polycyclic hydrocarbons from biomass-derived various ketones and petroleum-derived norbornene. The photosensitized Conia reaction mechanism is comprehensively revealed by the combination of monochromatic light excitation, triplet quenching, phosphorescence quenching, Stern-Volmer kinetic analysis and DFT calculations. The photoaddition of cyclopentanone and norbornene has a much faster reaction rate than self-cycloaddition of norbornene, and the green solvent water can promote both the norbornene conversion and the selectivity of monoadduct, along with the optimal norbornene conversion of 94.9 % and monoadduct selectivity of 91.6 %. After hydrodeoxygenation, the hydrocarbon derived from cyclohexanone/norbornene mixture endows high density of 0.941 g∙mL −1 (20.6 % higher than conventional aviation kerosene, 0.78 g∙mL −1 ) and volumetric net heat of combustion of 40.11 MJ∙L −1 , which is much higher than that of classic JP-10 (39.41 MJ∙L −1 ). Therefore, this work provides a new and eco-friendly route for synthesis of high-performance hydrocarbons using renewable resources (biomass) and renewable energy (solar energy).
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INDUSTRIAL CROPS AND PRODUCTS
·
2022
·
IF 6.449
Shanshan Shao,Laixin Ma,Xiaohua Li,Huiyan Zhang,Rui Xiao
Heavy bio-oil based carbon material (HBC) was prepared via carbonization and activation, and the basic Mg-Al-O/HBC using HBC as the carrier was synthesized for the first time for the aldol condensation of cyclopentanone to produce aviation fuel precursor. It revealed that a higher carbonization temperature and heating rate led to the decreasing production of biochar. HBC presented the highest specific surface area (2046.92 m 2 /g) and total pore volume (1.2964 cm 3 /g) at the carbonization temperature of 700 °C, the heating rate of 15 °C/min, A/C ratio of 3:1, and the activation temperature of 800 °C, in which the largest proportion of micropores was 87.19%. Compared with Mg-Al-O, a higher strength of weak and moderate basic sites was found in Mg-Al-O/HBC, which was beneficial for the aldol condensation. A higher yield of targeted condensates in the range of C9∼C16 was achieved at 87.28% in the aldol condensation of cyclopentanone over Mg-Al-O/HBC catalyst. However, the condensation performance of the composite catalysts decreased seriously in the 5th run, which was related closely to the appearance of boehmite AlO(OH) and the pore blockage of HBC. To match the basic catalyst and HBC carrier well from the viewpoint of pore property, Al ions were substituted with Zr ions, and the yield of the target condensates over Mg-Zr-O/HBC was kept stably at 72.07% at the fifth use. This study provides a unique, viable and effective method to produce porous carbon from heavy fraction of bio-oil as the carbon source, and also its good application in the production of high-valued fuels.
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