CATALYSIS LETTERS
·
2022
·Vol. 153
·期 7
·2107-2114
·
IF 2.936
Zhao Wenli,Niu Xiaopo,Liu Guangni,Zhang Xiurong,Wang Qingfa
Three kinds of Pt nanocrystals with different morphologies (5 nm cubes, 10 nm cubes and 5 nm truncated octahedrons) were synthesized and employed to fabricate Pt/CNT-USY catalysts for selective ring opening of decalin. The 5 nm truncated octahedral Pt/CNT-USY with exposed (100) and (111) facets exhibited higher yield of ring-opening products (53.9 wt%) than the CNT-USY-supported 5 nm cubic Pt catalyst enclosed by the (100) facets (39.6 wt%). Moreover, the 5 nm cubic Pt showed better catalytic activities compared to the 10 nm cubic Pt/CNT-UST catalyst, which ascribed to the smaller size of Pt NCs enriched more revealable metal active sites. DFT calculations demonstrated that the adsorption of decalin on Pt (111) was stronger than that on Pt (100) facets, which was profitable for the selective ring-opening reaction. Graphical Abstract
研究领域:
催化化学
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材料科学
·
理论计算化学
✓ 已验证
DOI
高影响因子
Journal of Energy Chemistry
·
2018
·
IF 3.886
Hao Tang,Fang Chen,Guangyi Li,Xiaofeng Yang,Yancheng Hu,Aiqin Wang,Yu Cong,Xiaodong Wang,Tao Zhang,Ning Li
A new route was developed for the synthesis of renewable decalin with cyclopentanone which can be derived from lignocellulose. It was found that 1,2,3,4,5,6,7,8-octahydronaphthalene could be selectively produced by the hydrogenation/dehydration/rearrangement of [1,1′-bi(cyclopentylidene)]-2-one (i.e. the self-aldol condensation product of cyclopentanone) over a dual-bed catalyst system. Among the investigated catalysts, the Ru/C and Amberlyst-15 resin exhibited the highest activities for the hydrogenation of [1,1′-bi(cyclopentylidene)]-2-one to [1,1′-bi(cyclopentan)]-2-ol and the dehydration/rearrangement of [1,1′-bi(cyclopentan)]-2-ol to 1,2,3,4,5,6,7,8-octahydronaphthalene, respectively. Using Ru/C and Amberlyst-15 resin as the first bed and the second bed catalysts, 1,2,3,4,5,6,7,8-octahydronaphthalene was directly produced in high carbon yield (83.7%) under mild conditions (393 K, 1 MPa). After being hydrogenated, the 1,2,3,4,5,6,7,8-octahydronaphthalene was converted to decalin which can be used as additive to improve the thermal stability and volumetric heat value of jet fuel.
研究领域:
化学工程
·
可再生能源
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催化反应
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING SCIENCE
·
2025
·
IF 4.3
Yunbo Yu,Mengen Zhang,Congjing Ren,Ruijia Wang,Yao Yang,Tinghao Jia,Jingdai Wang,Yongrong Yang
Cycloalkanes are the main portion of petroleum hydrocarbons, yet their inert reactivity has put considerable technical challenges to efficient utilization. In this study, the liquid phase pre-oxidation process for efficient self-initiation cracking of cycloalkanes is proposed. In this process, a portion of decalin was converted into hydroperoxy-decalins. These hydroperoxy-decalins not only decompose more readily than decalin due to their weak O-O bonds but also continuously generate free radicals to accelerate the chain initiation reactions, thereby promoting the cracking of residue decalin. The experimental results indicate that the liquid phase pre-oxidation process can significantly improve both the conversion of decalin and the yield of high-value chemicals under 630–680 ℃, and the promotion efficiency increases with the oxidation depth. Compared to gas phase oxidative cracking, the liquid phase pre-oxidation cracking of decalin presents remarkably higher overall conversion and lower carbon oxides yield at elevated temperatures. Comprehensive kinetic models were established by the Reaction Mechanism Generator (RMG) and the reaction process was simulated using Chemkin-pro software packages to elucidate the underlying self-initiation mechanism of liquid phase pre-oxidation. This study introduces a novel promising approach for the efficient utilization of cycloalkanes in the production of high-value chemicals.
研究领域:
化学工程
·
石油化工
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
·
2023
·
IF 6
Hong-Jun Lu,Dong-Hao Yuan,Chang Gao,Bi-Cheng Li,Zi-Bin Huang,Jing-Yi Yang,Pei-Qing Yuan
The effect of the timing of adding 1 wt% decalin as a hydrogen donor on heavy oil visbreaking was studied. Experiments show that either premixing decalin with heavy oil or adding decalin during the reaction accelerates the formation of light distillates and improves the efficiency of viscosity reduction. Premixing with heavy oil is an appropriate way to add decalin. After 10 min of reaction at 400 ℃, the viscosity reduction rate of the product reaches 90% and the asphaltene content of the product is 1.8 wt% lower than that of the raw heavy oil. According to theoretical calculations, the active hydrogens of decalin preferentially saturate the aromatic C radicals that are critical for condensation . The equilibrium constant of the H-donation reaches the order of 10 5 , while the activation energy of the reaction is only about 26 kJ/mol. The thermal cracking of decalin itself releases active and small-sized radicals, which accelerate visbreaking by participating in the dealkylation network of heavy oil molecules.
研究领域:
石油工程
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化学工程
✓ 已验证
产品关联
DOI
高影响因子
ENERGY & FUELS
·
2023
·
IF 5.3
Ruiqing Zhang,Ziwei Zhai,Li Wang,Sibao Liu,Guozhu Liu
Catalytic cracking–dehydrogenation of hydrocarbon fuels with hydrocarbon-soluble metal nanoparticles is an appealing way to improve fuel heat sink in a high-speed aircraft. In this work, two hydrocarbon-soluble metal nanoparticles (Pd@ILs and Pt@ILs) by using symmetrical imidazolium ionic liquids (1,3-bis(14-alkyl) imidazolium bromide) as protective agents were successfully synthesized. The catalytic performance for cracking and dehydrogenation of decalin-based nanofluids was investigated using an electrically heated tubular reactor. In comparison with Pd@14N with the conventional tetradecylamine ligand, Pd@ILs and Pt@ILs catalysts exhibited smaller average particle sizes and showed better performance in terms of dispersion stability, thermal stability, and catalytic activity. Fourier transform infrared (FT-IR) and density functional theory (DFT) calculations demonstrated that the strong affinity of C atoms in the conjugate imidazole ring to the metal surface allows these nanoparticles to be stably dispersed in decalin for at least 2 months. In the quasi-homogeneous conversion of decalin, Pd@ILs exhibited the best performance in promoting fuel cracking and dehydrogenation conversion with the highest yields of hydrogen and unsaturated hydrocarbon products, especially aromatic products, thus enhancing the heat sink of nanofluids. Particularly, the heat sink of nanofluids with the Pd@ILs catalyst was 3.39 MJ kg–1 at 700 °C, which was 0.58 MJ kg–1 higher than that from decalin thermal cracking and 0.43 MJ kg–1 higher than that of the nanofluids with the Pd@14N catalyst. In addition, Pd@ILs nanofluids gave the highest heat sink of 3.61 MJ kg–1 at 725 °C. The significant enhancements are attributed to cooperative interplay between the initiation effect of ILs and the remarkable catalytic ability of Pd nanoparticles in cracking–dehydrogenation reaction, as well as the unique properties of Pd@ILs, including smaller Pd particle size, more accessible surface Pd active sites, and higher thermal stability. This work shows that symmetrical imidazolium ionic liquid-capped metal nanoparticles can serve as effective quasi-homogeneous catalysts for enhancing heat sink of hydrocarbon fuels through catalytic cracking and dehydrogenation.
研究领域:
能源化学
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催化化学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
FUEL
·
2013
·
IF 3.357
Lei Yue,Xiaoxing Lu,Hai Chi,Yongsheng Guo,Li Xu,Wenjun Fang,Yu Li,Shenlin Hu
Three different kinds of palladium nanoparticles modified by octadecanethiol, octadecylamine, and mixture of them have been prepared, which are simply marked as Pd@S, Pd@N and Pd@S&N in turn. The nanoparticles are characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and thermo-gravimetric analysis (TGA). It follows that the average diameters of the nanoparticles are 1–3 nm. Pd@S shows noncrystalline structure, while Pd@N and Pd@S&N show face-center cubic (fcc) structure. These palladium nanoparticles can be well-dispersed in decalin , and then the nanofluids composed of decalin and palladium nanoparticles are prepared, which can be regarded as pseudohomogeneous systems. The cracking of each nanofluid containing 500 ppm Pd is performed under supercritical conditions (3.5 MPa, 600–750 °C) of decalin with a mass flow rate of 1 g/s in an electrically heated tube reactor which simulates a single passage in a practical heat exchanger. The cracking results indicate that these nanoparticles exhibit catalytic activity to a certain extent, and the activity of Pd@N nanoparticles is better than that of Pd@S or Pd@S&N. At 750 °C, the conversion of decalin is raised from 70.31 wt% of thermal cracking to 73.21 wt% with the existence of Pd@S, while that raised to 80.54 wt% with Pd@S&N and even raised to 91.85 wt% with Pd@N. The heat sink of nanofluids is effectively enhanced, and the nanofluid containing Pd@N shows the highest value, which reaches 3.50 MJ/kg and is increased by 0.29 MJ/kg in comparison with the heat sink of thermal cracking at 750 °C. The cracking of aviation kerosene containing Pd nanoparticles is then performed, the results of which confirm the feasibility of practical application of Pd nanoparticles to hydrocarbon fuels.
研究领域:
化学工程
·
材料科学
·
催化化学
✓ 已验证
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2020
·
IF 3.573
Yongde Ma,Yanru Wang,Wenquan Wu,Jiayin Zhang,Yanning Cao,Kuan Huang,Lilong Jiang
Slurry-phase hydrocracking is one of the most advanced technologies for the conversion of inferior heavy oil to light fuel oil. In this work, MoS2 was combined with SiO2–ZrO2 mixed oxides to offer a new class of bifunctional catalysts for slurry-phase hydrocracking. In the bifunctional catalysts, SiO2–ZrO2 mixed oxides with abundant mesopores and acid sites act as cracking catalysts. They were presynthesized by a sol–gel-hydrothermal method and systematically characterized by X-ray diffraction (XRD), N2 adsorption, Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), NH3-temperature programed desorption (NH3-TPD), and in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). The effect of Si/Zr molar ratios on the chemical structure, especially the acid properties of SiO2–ZrO2 mixed oxides were examined. Subsequently, a mixture of decalin–phenanthrene was selected as the model system to investigate the performance of bifunctional catalysts. It was found that the conversions of decalin and phenanthrene were significantly improved for MoS2/SiO2–ZrO2 bifunctional catalysts. Further analysis indicated that the Brønsted acid sites of SiO2–ZrO2 mixed oxides played an important role in the improvement of decalin and phenanthrene conversions.
研究领域:
化学工程
·
催化
·
石油炼制
✓ 已验证
DOI
高影响因子
CHEMICAL ENGINEERING SCIENCE
·
2024
·
IF 4.1
Qi Lu,Kang Xue,Li Wang,Xiangwen Zhang,Ji-Jun Zou,Lun Pan
Alkyl decalins are promising jet fuel components with high density and well cryogenic properties, but are difficult to obtain. Here we bring up a facile approach to synthesize methyl-substituted decalins including methyl decalin, dimethyl decalin and trimethyl decalin via catalytic alkylation reaction. The reaction conditions are optimized to obtain the high decalin conversion of 83.1 %. Based on a series of experiments, it is indicated that the intermediate complex formed by tetramethylsilane, aluminum chloride and dichloroethane is the key to accelerate the reaction rate, and the reaction mechanism is proposed. Moreover, a pseudo-first-order irreversible reaction dynamics is studied, and the reaction kinetics parameters and reaction rate equati andons are obtained. After vacuum distillation, the fuel product shows high density (0.872 g/cm 3 ) and high volumetric neat heat of combustion (36.9 MJ/L), much higher than those of RP-3 fuel. This work provides a facile method to synthesize high-performance jet fuel.
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
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2025
·
IF 3.9
Junpeng He,Ruiqing Zhang,Xi Chen,Bofeng Zhang,Guozhu Liu
Active fuel cooling is an effective way to overcome the thermal barrier for hypersonic flight. Pt-based nanofluid catalysts are effective in enhancing the chemical heat sink of endothermic hydrocarbon fuels (EHFs) by facilitating a catalytic dehydrogenation-cracking reaction. However, highly-dispersed Pt nanoparticles often face the problem of poor thermal stability in nanofluids. In this work, a NaH-assisted deprotonation method was applied to synthesize N-heterocyclic carbene (NHC)-capped highly-dispersed Pt nanoparticles (Pt@NHC14). The average size of the Pt nanoparticles in optimized Pt@NHC14 was 2.4 nm. Pt@NHC14 exhibited a high heat sink of 3.80 MJ/kg at 725 °C in the quasi-homogeneous conversion of decalin, which was 10% higher than Pt@ILs14 without a deprotonation strategy. This could be ascribed to the dehydrogenation process being promoted, which was verified by a hydrogen yield of 9.5% on highly dispersed Pt of Pt@NHC14, and that is 46% higher than that of Pt@ILs14. This research synthesizes N-heterocyclic carbene-capped highly-dispersed Pt nanoparticles and provides valuable insights into the strong endothermic technology.
研究领域:
材料科学
·
化学工程
·
航空航天工程
✓ 已验证
产品关联
DOI
高影响因子
COMBUSTION AND FLAME
·
2018
·
IF 4.494
Liang Yu,Zhiyong Wu,Yue Qiu,Yong Qian,Yebing Mao,Xingcai Lu
Autoignition characteristics of decalin, a bicyclic alkane, were investigated in a heated rapid compression machine (RCM) over a wide range of conditions. Ignition delay time (IDT) was measured at compressed pressures of 10, 15 and 20 bar, for equivalence ratios of 0.5, 1.0, 1.5 and 2.0, and at temperatures in the range 631−930 K. Negative temperature coefficient (NTC) behavior of decalin ignition delay time was observed within the temperatures of 750−860 K, in which the ignition delay time increases with rising temperature. The dependence of ignition delay time on compressed pressure, equivalence ratio, and oxygen concentration was systemically studied. A reasonable modification was made to a literature mechanism. The simulation results using the tuned mechanism are found to well capture the dependence of the measured ignition delay time on temperautre, pressure, equivalence ratio, and oxygen concentration over the entire temperature range. Correlation formulas of the simulated and measured ignition delay times were proposed to quantitatively reveal the ignition delay time dependence and to evaluate the mechanism performance. A reaction pathway analysis was carried out at low temperature (700 K), NTC temperature (850 K), and high temperature (1000 K), respectively, to identify the dominant reaction pathways consuming decalin and intermediate species. A sensitivity analysis was also performed at different temperatures and equivalence ratios to find out the important reactions that promote and inhibit decalin autoignition.
研究领域:
燃烧科学
·
化学动力学
·
燃料化学
·
内燃机
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2019
·
IF 2.298
Xiaoyi Chen,Shenda Jin,Yitong Dai,Jianzhou Wu,Yongsheng Guo,Qunfang Lei,Wenjun Fang
Densities (ρ) and viscosities (η) for the ternary system of decalin (1) + methylcyclohexane (2) + cyclopentanol (3) and three corresponding binary systems have been measured over the whole composition range at 11 temperature points from 293.15 K to 343.15 K under atmospheric pressure (0.1 MPa). The excess molar volumes (VmE) and viscosity deviations (Δη) of binary systems have been calculated and further fitted with the Redlich–Kister equation, while corresponding physical data of the ternary system have been correlated via the Clibuka, Singh, Nagata-Tamura, and Redlich–Kister equations. The VmE values are negative for the binary system of decalin (1) + methylcyclohexane (2) with a minimum when the moles of the two components are similar. For the system of decalin (1) + cyclopentanol (2), the VmE values are always positive with a maximun at about x1 = 0.6. At the same time, a sigmoid curve can be observed for the system of methylcyclohexane (1) + cyclopentanol (2). The minimum and maximum appear around x1 = 0.2 and x1 = 0.9, respectively. The Δη values of the three binary systems are all negative and the absolute values decrease with increase in temperature. For the ternary system, the VmE values are partially negative and the Δη values are negative over the entire concentration range. The nonideal behaviors of the mixtures are discussed in the perspective of intermolecular interaction and structural effect.
研究领域:
物理化学
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Chenyang Yao,Ji Mi,Pengfei Jiang,Cui Ye,Yitong Dai,Yongsheng Guo,Wenjun Fang
Active cooling by endothermic hydrocarbon fuels (EHFs) is considered as a practical approach to deal with the thermal management problem of hypersonic aircrafts. As a typical component of EHFs, decalin is usually thermally stable while it is apt to coke and has poor combustion performance. n-Hexadecane, a normal alkane with a relatively high H/C ratio, can effectively improve the combustion performance of EHFs, and 1-butanol has remarkable anti-coking properties. As a fundamental work for fuel design, decalin, n-hexadecane, and 1-butanol were selected as model compounds to construct a surrogate fuel system, which was used to investigate the effects of composition and condition on its thermophysical properties. Densities (ρ) and viscosities (η) of the ternary system of decalin (1) + n-hexadecane (2) + 1-butanol (3) and corresponding binary systems were measured at temperatures T = (293.15 to 333.15) K and pressure p = 0.1 MPa. The excess molar volumes (VmE) and the viscosity deviations (Δη) of the mixtures were calculated and fitted to several semi-empirical equations. The tendencies of VmE and Δη with composition and temperature were discussed from intermolecular force and molecular size, respectively.
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
危险品化学品经营许可证（带存储）