FUEL
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2022
·
IF 8.035
Panxi Wu,Yitong Dai,Tong Du,Xuejiao Chen,shujun Zhao,Yongsheng Guo,Wenjun Fang
Pinane is a downstream product of turpentine and is the basic raw material for the production of flavor products such as linalool and lauryl alcohol. To better understand the performance of biomass hydrocarbon pinane as endothermic hydrocarbon fuel, the pyrolysis kinetics and heat exchange performance of pinane under different conditions was investigated. The pyrolysis kinetics of pinane was obtained in a batch reactor at the temperature range of 553–603 K, the apparent rate constants at different test temperatures were obtained, along with the corresponding Arrhenius parameters of pre-exponential factor A = 5.7 × 10 10 s −1 and apparent activation energy E a = 173 kJ·mol −1 . Compared with other typical model fuels, the pyrolysis of pinane shows higher thermal instability. The regenerative cooling test of pinane at temperatures from 400 to 950 K was further performed. The corresponding heat sink is 2.43 MJ·kg −1 at 898 K, indicating the advantage of pinane in the providing higher heat sink in a relatively low temperature range. The detailed analysis of pyrolysis products indicates that pinane mainly undergoes direct ring-opening isomerization at a relatively low temperature stage, producing a large amount of C10 hydrocarbon products. As the temperature rises, the isomers are further cracked to generate small-carbon-number hydrocarbons, accompanied by the formation of a large amount of gas products. Besides, the morphology and spatial distribution of solid deposits on the inner wall of reaction tube after the heat exchange process were characterized by scanning electron microscope and combustion of carbon method. Furthermore, based on the result of product distribution analysis and quantum calculations, a pyrolysis mechanism of pinane has been proposed.
研究领域:
能源科学
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化学工程
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DOI
高影响因子
Case Studies in Thermal Engineering
·
2023
·
IF 6.8
Haijun Cheng,Haoping Chen,Qilin Huang,Qiaoni Luo,Min Liang,Suyi Dai,Fang Lai,Li Ma,Weiguang Li,Xiongmin Liu
Although pinane has a wide range of uses, there are no reports on the safety of pinane oxidation. The thermal oxidation properties of pinane were investigated through MCPVT. The primary oxidation products of pinane were separated and structurally characterised, and its decomposition properties were assessed by MCPVT and DSC. The results showed that pinane had an initial oxygen uptake temperature of 123.5 °C and exploded when the temperature rose to 132.7 °C. Pinane autoxidised at 110 °C for 9 h formed a high level of peroxide (81.18 mmol/kg) with an activation energy of 138.77 kJ/mol. The oxidation of pinane occurs mainly at the tertiary carbon atom attached to the methyl group, and the main peroxide produced is pinane hydroperoxide (PHP). PHP has an exothermic onset temperature (T onset ), a heat of decomposition (Q DSC ) and an activation energy of decomposition of 114.6 °C, 1878.0 J/g and 109.4 kJ/mol respectively, which should classify it as a hazardous substance. PHP has a lower activation energy than pinane and is the determining factor for the safety of the pinane oxidation reaction. The products of thermal runaway of pinane are relatively complex and consist mainly of 1-(2, 2-dimethyl-3-ethylcyclobutyl) ethanone, nopinone, 2, 3-pinanediol and pinonic acid.
研究领域:
化学
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安全科学
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DOI
高影响因子
Sustainable Energy & Fuels
·
2023
·Vol. 7
·期 22
·5374-5384
·
IF 5.6
Ji Mi,Xinyang Chen,Panxi Wu,Yitong Dai,Yongsheng Guo,Wenjun Fang
Pinane is a product derived from turpentine, a renewable resource that is highly valued. Due to its unique multicyclic ring structure, pinane has a relatively high energy density of 35.6 MJ L−1, making it an excellent potential alternative to jet fuel. In this work, the low-temperature oxidation of pinane is comprehensively studied concerning the oxidative stability requirement of jet fuels. The apparent activation energy Ea and pre-exponential factor A of pinane oxidation are acquired according to the Kissinger method using a P-DSC apparatus as 97.6 ± 2.7 kJ mol−1 and 5.3 ± 3.7 × 1010 min−1, respectively, rendering it a relatively more oxygen-susceptible hydrocarbon compared to non-strained hydrocarbons. DFT calculations and experimental investigations have shown that the low-temperature oxidation of pinane begins with the hydrogen atom transfer (HAT) reaction and the rupture of the strained ring. Interestingly, although pinane can be easily oxidized, it shows very low deposition propensity in the JFTOT test, qualifying it as a potential jet fuel.
研究领域:
能源生物学
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化学动力学
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DOI
高影响因子
RSC Advances
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2015
·Vol. 5
·期 109
·89552-89558
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IF 3.84
Shengli Hou,Congxia Xie,Hua Zhong,Shitao Yu
Ruthenium (Ru) nanoparticles were prepared using polyoxyethylene–polyoxypropylene–polyoxyethylene triblock copolymer (P123) micelles in water as a stabilizing agent. The P123–Ru micellar catalyst was first used in the hydrogenation of α-pinene to pinane, and the selectivity for cis-pinane reached 98.9%. This result is attributed to the formation of vesicles. The isolated catalyst phase could be used seven times with no treatment, and its catalytic activity and selectivity were almost unchanged. The preparation process of the catalyst and hydrogenation reaction of α-pinene was under mild and environmentally friendly conditions. This research offers an effective method for the hydrogenation of α-pinene and provides a reference for other hydrophobic natural products in hydrogenation reactions.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
RSC Advances
·
2016
·Vol. 6
·期 84
·81310-81317
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IF 3.289
Yue Liu,Lu Li,Shiwei Liu,Congxia Xie,Shitao Yu
(3-Aminopropyl)-triethoxysilane (APTS) and (3-mercaptopropyl)-trimethoxysilane (MPTS) grafted SiO2-coated iron oxide (Fe3O4@SiO2) magnetic supports were prepared. Various noble metal nanoparticles such as Ru, Pt, Rh and Pd were directly grown on the surfaces of the magnetic supports with ultrasmall and nearly monodisperse sizes, especially the APTS grafted Fe3O4@SiO2 (Fe3O4@SiO2/APTS) nanospheres. The Fe3O4@SiO2/APTS/Ru catalyst demonstrated a high catalytic activity towards the hydrogenation of α-pinene to form cis-pinane. The conversion of α-pinene was 99.1% and the selectivity for cis-pinane reached 97.6% at 120 °C after 4 h. The Fe3O4@SiO2/APTS/Ru catalyst was easily separated from the reaction mixture when applying an external magnetic field, and the separated Fe3O4@SiO2/APTS/Ru had good reusability. After being reused eight times, the α-pinene conversion and the cis-pinane selectivity also can reach 97.8% and 96.9%, respectively.
研究领域:
材料科学
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催化化学
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产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Yu-Xuan Fu,Shu-Yi Huang,Ming-Shuai Sun,Yan Zhou,Dan-Dan Cai,Wen-Shuai Zhu,Wei Hui,Duan-Jian Tao
Current industrial catalysts for α-pinene hydrogenation suffer from harsh reaction conditions and poor selectivity to cis -pinane, primarily due to their inability to effectively adsorb α-pinene in a specific favorable configuration on the catalyst surface. In this study, a high-specific-surface-area, rod-shaped CeO 2 -supported ultra-fine Ru nanoparticle (average particle size of 4 nm) catalyst was synthesized via hydrothermal method for the highly stereoselective hydrogenation of α-pinene to cis -pinane. The resulting Ru/CeO 2 -H catalyst achieved an α-pinene conversion of 99.3 % and an impressive cis -pinane selectivity of up to 99.6 % under exceptionally low temperature (30°C), 0.6 MPa H 2 and 0.5 h with high TOF (1236 h −1 ). Density functional theory (DFT) calculations indicated that α-pinene preferentially adsorbs onto the Ru surface via the backside of its intramolecular dimethyl bridge. This particular adsorption mode lowers the energy barriers for further hydrogenation to generate cis -pinane. The oriented dimethyl-up configuration of α-pinene and ultra-low activation energy (12.04 kJ/mol obtained from kinetic tests) enable the highly selective production of cis -pinane at ambient temperature. Furthermore, the strong interaction between the CeO 2 -H support and highly dispersed Ru, combined with the ambient-temperature reaction conditions, effectively prevents metal nanoparticle agglomeration and coking, imparting the catalyst with exceptional stability. Notably, the catalyst was reused at least 15 times without observing any significant deactivation, demonstrating its significant potential for practical applications.
研究领域:
催化化学
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材料科学
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理论化学
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DOI
高影响因子
Russian Journal of Physical Chemistry A
·
2019
·Vol. 93
·期 9
·1754-1761
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IF 0.581
Yin Hu,Chen Wei,Ba Mingwei,Xie Xin,Song Weiguo
Abstract Ru/TiO 2 nanocomposite was prepared via loading the active ruthenium species on anatase TiO 2 by a simple hydrothermal approach combined with a sol–gel method. The optimal catalyst with 5.0% of Ru species showed excellent catalytic performance in the solvent-free selective hydrogenation of α-pinene with the conversion of α-pinene and selectivity to cis -pinane of 100.0 and 97.1%, respectively. It has been verified that the superior performance depends on the large amounts of acidic sites induced by HF acid and the SMSI effect between the reducible TiO 2 support and Ru species on its surface. The partial loss of its activity after five hydrogenation cycles should be due to the agglomeration of the catalyst particles and the carbon deposition on the surface. The possible hydrogenation mechanism was also discussed. This work provides an effective approach to develop a highly efficient and recyclable catalyst for the solvent-free selective hydrogenation of α-pinene.
研究领域:
催化
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化学工程
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材料科学
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有机化学
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DOI
高影响因子
RSC Advances
·
2017
·Vol. 7
·期 81
·51452-51459
·
IF 3.108
Lihua Xie,Xiaoyan Wang,Fengli Yu,Bing Yuan,Congxia Xie,Shitao Yu
Amphiphilic mesoporous silica modified with trimethoxy (3,3,3-trifluoropropyl) silane (TFPS) and (3-aminopropyl) trimethoxysilane (APTS) was prepared by one-step synthesis. The structure and morphology of the mesoporous silica were characterized and confirmed by solid-state nuclear magnetic resonance, X-ray diffraction (XRD), N2 adsorption–desorption, Fourier transfer infrared spectroscopy (FT-IR), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Meanwhile, the thermostability of the amphiphilic mesoporous silica was detected by thermogravimetric (TG) technique. Highly dispersed Ru nanoparticles supported on such amphiphilic mesoporous silica (marked as Ru/MF@MN) were synthesized by wet impregnation method with the assistance of ultrasonic. The catalyst was characterized by X-ray photoelectron spectroscopy (XPS) and inductively coupled plasma-atomic emission spectrometry (ICP-AES). In water medium, Ru/MF@MN was used in α-pinene hydrogenation to prepare cis-pinane. Under the optimum reaction conditions (35 °C, 2 MPa H2, 1 h, m (H2O) : m (α-pinene) : m (Ru/MF@MN) = 200 : 60 : 1), 99.9% α-pinene conversion and 98.9% cis-pinane selectivity were obtained. When Ru/MF@MN was recycled six times, the conversion slightly decreased and the selectivity was nearly unchanged.
研究领域:
材料科学
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催化化学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2021
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IF 2.694
Panxi Wu,Lifeng Zhang,Shujun Zhao,Chenchen Wang,Yongsheng Guo,Wenjun Fang
Biofuel may be an important component of aviation fuel for its significant advantages. In the present work, two biofuel samples, methyl laurate and pinane, are selected for blending research with n-dodecane, a typical model fuel of aviation kerosene. Densities and viscosities for the ternary system pinane (1) + n-dodecane (2) + methyl laurate (3) and corresponding binary systems have been measured at the temperatures from 293.15 to 333.15 K and atmospheric pressure. The excess molar volume (VmE) and viscosity deviation (Δη) of binary systems have been calculated based on experimental data and fitted to the Redlich–Kister equation, while those of the ternary system have been fitted to Nagata–Tamura, Redlich–Kister, Cibulka, and Singh semiempirical equations, respectively. The values of the excess molar volume are all positive for all investigated systems, while the viscosity deviations are all negative. The results are discussed from the perspective of intermolecular force and the structure. Furthermore, the densities and viscosities of both binary and ternary mixtures are satisfactorily correlated using the Jouyban–Acree model.
研究领域:
化学工程
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物理化学
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能源科学
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DOI
高影响因子
CATALYSIS LETTERS
·
2018
·Vol. 149
·期 1
·180-189
·
IF 2.911
Hu Yin,Chen Wei,Ba Mingwei,Song Weiguo
Solvent-free selective hydrogenation of α -pinene to synthesize cis -pinane with high efficiency has always been a challenge in the catalytic research. The key to achieve this goal is the development of the highly efficient and recyclable catalysts. Cubic NaNbO 3 crystals were functionalized by (γ-aminopropyl)-triethoxysilane (APTS) and decorated with Ru species by a simple solvothermal approach combined with a sol-gel method. And this compound was applied to the catalytic hydrogenation of α -pinene. The crystal phase, chemical structure and surface components of the catalysts were analyzed by X-ray diffraction, field emission transmission electron microscope, X-ray photoelectron spectroscopy, Fourier transform infrared spectra and thermogravimetric analysis. APTS-functionalization of the catalyst surface contributes to the highly dispersed and uniform Ru species with small particle size, leading to the outstanding conversion of α -pinene and selectivity of cis -pinane over NaNbO 3 /APTS/Ru catalyst. The performance of this catalyst is better than that of other similar catalysts, and is comparable to that of commercial Ru/C. The possible mechanisms of the formation of catalyst and the hydrogenation reaction were proposed and discussed. The decrease of catalytic performance after seven cycles should be ascribed to the decomposition and leaching of APTS during the hydrogenation process. The work provides an alternative strategy to design a kind of reusable catalyst with highly efficient hydrogenation performance based on the surface functionalization. Graphical Abstract
研究领域:
催化
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材料科学
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化学工程
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物理化学
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产品关联
DOI
高影响因子
RSC Advances
·
2019
·Vol. 9
·期 11
·5978-5986
·
IF 3.049
Shunyou Hu,Linlin Wang,Xiaopeng Chen,Xiaojie Wei,Zhangfa Tong,Lijiang Yin
The concept of a solid catalyst coated with a thin ionic liquid layer (SCILL) was applied to the stereoselective hydrogenation of α-pinene. Nickel, a non-noble metal, was supported on a discarded fluid catalytic cracking catalyst (DF3C) and then modified with different loadings of the ionic liquid 1-ethanol-3-methylimidazolium tetrafluoroborate ([C2OHmim][BF4]). The resulting catalysts showed a range of conversions and selectivities for the hydrogenation of α-pinene. The SCILL catalysts afforded cis-pinane with high selectivity and their activity depended on the ionic liquid loading. For an ionic liquid loading of 10 wt%, although the catalytic activity was suppressed, the selectivity and conversion could reach above 98% and 99%, respectively. In addition, the catalyst remained stable after 13 runs and the activity was almost unchanged with the conversion maintained at approximately 99%. Thus, the ionic liquid layer not only improved the selectivity for cis-pinane but also protected the active site of the catalyst and prolonged the service lifetime of the catalyst. The SCILL catalytic system provides an example of an ionic liquid catalytic system which eliminates organic solvents from the catalytic process.
研究领域:
化学工程
·
催化科学
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DOI
PubMed
高影响因子
APPLIED CATALYSIS B-ENVIRONMENTAL
·
2026
·
IF 21.1
Chenghong Wu,Jiahui Fan,Hairong Mo,Xiaopeng Chen,Jiezhen Liang,Linlin Wang
The catalytic valorization of renewable biomass into high-density sustainable aviation fuels (SAFs) represents a critical decarbonization pathway for the aviation sector. Among potential feedstocks, oxygen-free α-pinene is particularly attractive; however, its efficient solvent-free hydrogenation under mild conditions with non-precious metal catalysts remains a formidable challenge. Herein, we report a rationally designed Ni-decorated graphitic carbon nitride (Ni-GCN) catalyst fabricated via pyrolysis of an in-situ grown Ni-MOF/GCN composite, creating a unique architecture with well-defined interfaces, abundant active sites, and superior mass transport properties. In solvent-free α-pinene hydrogenation, Ni-GCN exhibits exceptional performance, achieving > 99 % conversion with 98.2 % stereoselectivity toward cis-pinane under mild conditions (65 ℃, 1.5 MPa H 2 ), substantially surpassing state-of-the-art non-noble metal catalysts and even rivaling commercial 5 wt% Pd/C. Systematic mechanistic investigations integrating kinetic analysis, H 2 -D 2 isotopic exchange, physical-mixture H-spillover activity assays, WO 3 colorimetric detection, and hydrogen temperature-programmed unequivocally reveal that superior activity stems from highly efficient interfacial hydrogen spillover. This spillover-mediated pathway sustains a 4.6-fold higher surface coverage of active hydrogen species on Ni-GCN relative to spillover-deficient Ni-C, directly translating to enhanced catalytic efficiency. Consequently, the turnover frequency of Ni-GCN reaches 6.28 h −1 , representing 1.4-fold and 3.2-fold enhancements over Ni-graphene (4.58 h −1 ) and Ni-C (1.97 h −1 ), respectively, with spillover contributing a 3-fold activity boost. Quantitative kinetic-spectroscopic correlation establishes spillover efficiency as the primary activity descriptor. DFT calculations validate this mechanism, revealing substantially lowered activation barriers for the spillover-assisted route. These findings establish interfacial spillover engineering as a robust strategy for earth-abundant catalyst development, offering molecular-level design principles for sustainable energy technologies.
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DOI
高影响因子
危险品化学品经营许可证（带存储）