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    Reaction Kinetics, Mechanisms and Catalysis

    Reaction Kinetics, Mechanisms and Catalysis

    JournalISSN 1878-5190eISSN 1878-5204中科院 化学 4区

    年发文量

    研究主题

    论文(9316)

    排序
    1Cross-heating-rate Kinetic Modeling of Pine Wood Pyrolysis Using Multi-Component Reaction Models Optimized by Shuffled Complex Evolution Algorithm
    Xiwen Zhao,Ruiyu Chen, Xiaotian Chen

    Pine wood pyrolysis was investigated at slow heating rates of 10–35 K/min and fast heating rates of 150–350 K/min using thermogravimetric analysis coupled with FTIR-MS product analysis. Increasing heating rate shifted the DTG shoulder temperature from 622 to 712 K, the main DTG peak temperature from 653 to 752 K, and the temperature corresponding to a fixed conversion of α=0.85 from 669.6 to 763.9 K, while the final residual mass remained within 18.3–19.8

    2026
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    2Methylene-bridged Binuclear (2-Methyl-4-phenylindenyl) Metallocene Catalyzed Α-Olefin Oligomerization for the Preparation of Medium to High-Viscosity Lubricant Base Oils
    Chengchen Du, Xiangsheng Mu, Pengfei Shi, Ye Ma, Nuoyu Chen,Tao Jiang

    A series of methylene-bridged dinuclear (2-methyl-4-phenylindenyl) metallocene catalysts was systematically evaluated for the oligomerization of 1-octene and 1-decene to produce high-viscosity lubricant base oils. The dinuclear catalysts (2d–7d) showed higher catalytic activity than the corresponding mononuclear catalyst 1d, and catalyst 5d (methylene bridge length n = 5) showed the best catalytic performance. Using 5d as the representative catalyst, we systematically studied the effects of reaction temperature, Al/Zr molar ratio, B/Zr molar ratio, and hydrogen pressure on the oligomerization reaction. The obtained oligomeric products exhibited medium-to-high kinematic viscosity (KV100 > 20 cSt) and a high viscosity index (VI > 210). 1H NMR and 13C NMR analyses indicated that the oligomeric products contained unsaturated structures including vinylidene, vinyl, trisubstituted olefin, and internal olefin groups. Increasing hydrogen pressure enhanced the unsaturated signals, indicating effective regulation of chain transfer and termination. The 13C NMR spectrum further showed that the obtained poly(1-decene) possessed a relatively regular long-alkyl side-chain structure, indicating that this catalytic system has potential for industrial production of lubricant base oils.

    2026
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    3Experimental and Density Functional Theory Study of the Selective Catalytic Reduction of No with NH3 over Ce-doped LaMnO3/γ-Fe2O3 Catalyst
    Dongdong Ren, Xinyu Wang, Hao Wan, Fengqiang Miao, Yuan Liu, Xiangming Zhao, Wencong Hao,Siyi Luo,Jianxiang Guo, Feng Xu

    Ce-doped LaMnO3/γFe2O3 catalysts were prepared to investigate the influence of Ce incorporation on catalytic activity and reaction mechanism for NH3-SCR denitrification. The catalytic performance tests showed that Ce doping significantly enhanced low-temperature activity and broadened the temperature window. The catalyst with a Ce doping ratio of 0.4 exhibited the best performance, achieving 96

    2026
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    4Influence of Sonication Duration Pretreatment on Thermal Degradation Behavior and Pyrolysis Kinetics of Raw and Pretreated Spent Mushroom Substrate (SMS)
    Turrgasheny Ellango,Alina Rahayu Mohamed,Umi Fazara Md Ali,Obid Tursunov

    This study reveals that sonication-assisted acid leaching, particularly with a 20-min sonication duration (SMS20), offers a highly effective pretreatment method for Spent Mushroom Substrate (SMS), significantly reducing its ash content and enhancing its suitability as a bioenergy feedstock. While SMS is a promising bioenergy resource, its high alkali and alkaline earth metal (AAEM) content leads to elevated ash levels, causing operational challenges such as slagging, fouling, and reduced pyrolysis efficiency. Previous kinetics studies often overlooked the comprehensive thermal degradation behavior across all major decomposition stages. Therefore, this study investigated the effect of sonication-assisted acid leaching on the thermal degradation behavior and activation energy of SMS across three decomposition sections corresponding to moisture removal, hemicellulose degradation, and cellulose degradation. The ash content was significantly reduced from 19.766 Schematic workflow of the pyrolysis of acid-leached Spent Mushroom Substrate (SMS). the process involves biomass preparation (drying, grinding, and sieving to 250 µm), followed by 1

    2026
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    5Regiochemical Inversion in Wacker-type Catalysis: Computational and Kinetic Insights into Anti-Markovnikov and Markovnikov Pathways
    Thomas Bouveyron, Lea-Marie Mecking, Niklas Chlench, Angelo Neuheuser, Daniel Friedrich,Peter J. C. Hausoul,Regina Palkovits,Matthias Eisenacher

    Controlling regioselectivity in palladium-catalyzed Wacker oxidations to synthesize anti-Markovnikov (AM) aldehydes remains challenging due to the intrinsic Markovnikov (M) bias of standard palladium complexes. Combining reaction kinetics, multinuclear NMR, ESI–MS, and Density Functional Theory (DFT) calculations, we investigated the mechanism governing regiochemical inversion during 1-decene oxidation. Conducting the reaction in anhydrous tertiary alcohols, specifically tert-butanol (t-BuOH) and 2-methyl-2-butanol, allows the solvent to act directly as a steering nucleophile, achieving an AM-selectivity of 19.1 ± 0.8

    2026
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    高被引作者

    作者引用发文
    Valentin N. Parmon118152
    Yu. I. Yermakov99265
    Yu. I. Aristov97421
    E. Czárán8188
    Kazuhisa Murata68421
    M. M. Tokarev6819
    Giovanni Restuccia6787
    Kai-Ji Zhen67611
    Gaetano Cacciola6636
    Alexander a Davydov64543

    高产作者

    作者引用发文
    J. M. Marinas57067
    Yu. I. Yermakov99265
    Valentin N. Parmon118152
    Dmitry Yu. Murzin48547
    Boris N. Kuznetsov62744
    Alexander a Davydov64543
    Pal I did not use Gabor, as author in my papers Tetenyi36838
    Libor Červený26437
    Vladimir A. Likholobov53235
    Tamara V. Andrushkevich55335

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