Article
Chemistry, Physical
Sora Ishioka, Aya Fujiwara, Sunao Nakanowatari, Lauren Takahashi, Toshiaki Taniike, Keisuke Takahashi
Summary: This study utilizes machine learning and catalyst big data to design catalyst descriptors for representing catalytic activities. Experiments confirm the accuracy of the proposed catalyst descriptors and demonstrate that these physical quantities can be used as alternative descriptors for designing heterogeneous catalysts.
Article
Engineering, Marine
Kati Lehtoranta, Paivi Koponen, Hannu Vesala, Kauko Kallinen, Teuvo Maunula
Summary: The study shows that using methane oxidation catalyst (MOC) can effectively reduce methane slip emissions in LNG ships. The use of a special sulfur trap can protect MOC against sulfur poisoning to some extent, and regeneration done once a day can recover the efficiency of MOC.
JOURNAL OF MARINE SCIENCE AND ENGINEERING
(2021)
Review
Chemistry, Physical
Zengzan Zhu, Wenyi Guo, Ying Zhang, Chengsi Pan, Jing Xu, Yongfa Zhu, Yang Lou
Summary: This review highlights the importance of methane conversion into value-added chemicals, discusses the advanced photothermal synergetic strategy for efficient methane conversion, as well as the methane direct conversion through photocatalysis and thermocatalysis.
Article
Chemistry, Physical
Thanh Nhat Nguyen, Sunao Nakanowatari, Thuy Phuong Nhat Tran, Ashutosh Thakur, Lauren Takahashi, Keisuke Takahashi, Toshiaki Taniike
Summary: Combinatorial catalyst design is not easily generalizable, but random sampling of 300 quaternary solid catalysts in a materials space of 36,540 catalysts identified 51 catalysts with significantly better performance in the oxidative coupling of methane. Data analysis highlighted the importance of choosing synergistic combinations, which could be generalized based on the periodic table. Decision tree classification successfully facilitated efficient sampling of quaternary catalysts for improved C-2 yield.
Article
Chemistry, Physical
Sunao Nakanowatari, Thanh Nhat Nguyen, Hiroki Chikuma, Aya Fujiwara, Kalaivani Seenivasan, Ashutosh Thakur, Lauren Takahashi, Keisuke Takahashi, Toshiaki Taniike
Summary: Through analyzing a catalyst dataset, it was found that using a mixed support of La2O3 and BaO helps balance the activity and selectivity in OCM reaction, leading to improved yield.
Review
Chemistry, Physical
Qihao Wang, Miao Kan, Qing Han, Gengfeng Zheng
Summary: This review discusses the catalyst structures and system design strategies in recent developments of electrocatalytic methane conversion, focusing on the activation of C-H bonds in methane and operating under ambient conditions without sacrificing product selectivity. The combination of electro-, thermo-, and photocatalytic methods can enable complementary and enhanced activities, as well as provide new insights into reaction conditions and mechanisms.
Article
Chemistry, Physical
Lingcong Li, Nazmul H. Md Dostagir, Abhijit Shrotri, Atsushi Fukuoka, Hirokazu Kobayashi
Summary: The addition of Re to a Ru/Al2O3 catalyst changes the reaction mechanism, leading to increased production of CO for syngas, with Re playing a dual role in formate generation and steam reforming acceleration. Re is a main player in the catalytic reaction rather than a simple promoter.
Article
Chemistry, Physical
Ruitao Wu, Kaitlyn R. Wiegand, Longmei Ge, Lichang Wang
Summary: The study investigates the C-C bond cleavages of ethane decomposition on Ir(100) using density functional theory (DFT) and suggests that coupling O with the C2Hx species can decrease activation energy for C-C bond rupture. Additionally, activation energy and reaction energy surfaces were constructed for 34 C-C bond cleavage reactions to enable performance comparisons among catalysts and the selection of a catalyst of interest beyond the minimum energy path.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
N'goran Severin Eroi, Aime Serge Ello, Donourou Diabate, Konan Roger Koffi
Summary: The present study employed the heterogeneous Fenton-like process using tungsten oxide/hydrogen peroxide couple to investigate the kinetic models of methyl orange degradation. The results showed that WO3/H2O2 exhibited high efficiency in the removal of methyl orange and successfully applied the pseudo first-order kinetic model.
JOURNAL OF CHEMISTRY
(2022)
Article
Engineering, Environmental
Gianni Caravaggio, Lioudmila Nossova, Matthew J. Turnbull
Summary: The NiMg catalysts exhibited good activity for complete methane oxidation, with Ni9Mg showing the highest performance. Ni9Mg, as a promising low-cost alternative to PGM-based catalysts, achieved approximately 94% methane conversion after 40 hours, outperforming the Pd-based reference catalyst.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Huizhen Zhang, Wanfu Zhong, Qiaobin Gong, Pengfei Sun, Xiaozhen Fei, Xuejiao Wu, Sha Xu, Qinghong Zhang, Gang Fu, Shunji Xie, Ye Wang
Summary: We constructed a solar-energy-driven redox cycle using iron ions as catalysts for the combination of CH4 conversion and H2 production. A photo-driven iron-induced reaction system was developed, which showed high efficiency in the selective coupling of CH4, benzene, and cyclohexane under mild conditions. Mechanistic studies revealed that CH4 coupling was induced by hydroxyl radical generated by photo-driven intermolecular charge migration of an Fe3+ complex. The produced Fe2+ was used to reduce the potential for electrolytic H2 production and then turned back into Fe3+, forming an energy-saving and sustainable recyclable system.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Jiaqi Si, Guofeng Zhao, Tian Lan, Jiayong Ni, Weidong Sun, Ye Liu, Yong Lu
Summary: The study reveals that Na2WO4 plays a crucial role in reducing the trigger temperature and selectively activating the Mn7SiO12 <-> MnSiO3 redox reaction in the OCM process. It also shows that oxygen exchange between O2 and Na2WO4 only occurs in case of re-oxidizing MnWO4 formed during the reaction at high temperatures.
Article
Energy & Fuels
Shican Jiang, Weixiao Ding, Kun Zhao, Zhen Huang, Guoqiang Wei, Yanyan Feng, Yijv Lv, Fang He
Summary: This study successfully utilized Na-doped LaMnO3 as redox catalysts to convert methane into C-2 products, achieving higher performance in oxidative coupling reaction. The incorporation of Na enhanced the redox properties of the catalyst, promoting the formation of C-2 hydrocarbons, with 019Na-LaMnO3 demonstrating the best results among all samples.
Article
Chemistry, Physical
Jiaqi Si, Guofeng Zhao, Tian Lan, Jiayong Ni, Weidong Sun, Ye Liu, Yong Lu
Summary: The role of Na2WO4 in a Mn7SiO12-Na2WO4/Cristobalite catalyst system was investigated. Na2WO4 was found to modulate the redox cycle of Mn7SiO12<->MnSiO3 by reducing the trigger temperature, thus selectively promoting the oxidative coupling of CH4. No direct redox of Na2WO4 or oxygen spillover between Na2WO4 and Mn7SiO12 was observed.
Article
Chemistry, Multidisciplinary
So Min Jin, Kwan-Young Lee, Dae-Won Lee
Summary: The use of ozone as an oxidant with an appropriate catalyst can enhance lean methane oxidation at low temperatures, and cobalt ion-exchanged BEA catalysts have been found to be the most active.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2022)
Article
Chemistry, Applied
Qingyuan Zheng, Jack H. Williams, Scott Elgersma, Mick D. Mantle, Andrew J. Sederman, G. Leendert Bezemer, Constant M. Guedon, Lynn F. Gladden
Summary: In this study, a pilot-scale fixed-bed reactor compatible with NMR/MRI was developed for Fischer-Tropsch synthesis. Multiple magnetic resonance techniques were applied to quantitatively characterize different product species within catalyst pellets, providing valuable information for catalyst and reactor optimization.
Article
Chemistry, Applied
Lisa Ramisch, Sebastian Pfaff, Sabrina M. Gericke, Edvin Lundgren, Johan Zetterberg
Summary: We present a combination of optical operando techniques that allow simultaneous measurement of adsorbed species on catalyst surfaces, monitoring of surface oxide formation, and imaging of the gas phase above the catalyst surface. The experimental setup was validated by studying CO oxidation on Pd(100) at different pressures, revealing the effects of pressure on the heterogeneous catalytic reaction.
Article
Chemistry, Applied
Marta Paniagua, Gabriel Morales, Juan A. Melero, Daniel Garcia-Salgado
Summary: The influence of common impurities in levulinic acid on the catalytic performance of different acid catalysts for bio-jet fuel production was studied. It was found that furfural had the greatest detrimental effect on catalyst performance, while propyl-sulfonic acid-modified SBA-15 and sulfonic acid resin Amberlyst-70 showed good regeneration ability.
Article
Chemistry, Applied
Jesus Tapiador, Pedro Leo, Guillermo Calleja, Gisela Orcajo
Summary: This study presents a new MOF material, Zn-URJC-13, with acid and basic sites, permanent porosity, and high affinity to CO2 molecules. The Zn-URJC-13 catalyst exhibits efficient performance in CO2 cycloaddition reactions and can be reused multiple times.
Article
Chemistry, Applied
Dan Zhao, Vita A. Kondratenko, Dmitry E. Doronkin, Shanlei Han, Jan-Dierk Grunwaldt, Uwe Rodemerck, David Linke, Evgenii V. Kondratenko
Summary: This study demonstrates the potential of cheap and commercially available Zr or Ti-based supports and ZnO to serve as active and selective catalysts for propane dehydrogenation (PDH). The catalytically active species formed in situ under PDH conditions consist of isolated ZnOx. ZnOx on the surface of LaZrOx shows the highest rate of propene formation.
Article
Chemistry, Applied
Hanbyeol Kim, Jung Rae Kim, Young-Kwon Park, Jeong-Myeong Ha, Jungho Jae
Summary: In this study, metal phosphates were used as catalysts for biomass conversion to produce sustainable aromatics through DielsAlder cycloaddition reactions. The effects of synthesis method, activation method, and P/Ti molar ratio on the structure and acid properties of titanium phosphate catalysts were systematically studied. The mesoporous titanium phosphate catalyst synthesized by hydrothermal method at 180℃ for 12 h followed by ethanol refluxing at 60℃ for 24 h at a molar P/Ti ratio of 1 showed the highest surface area and acid site density.
Article
Chemistry, Applied
Yasin Khani, Sumin Pyo, Kwang-Eun Jeong, Chul-Ung Kim, Moonis Ali Khan, Byong-Hun Jeon, Kun-Yi Andrew Lin, Siyoung Q. Choi, Young-Kwon Park
Summary: A protonated form of Zeolite Socony Mobil-5 (H-ZSM-5) catalyst was synthesized through a hydrothermal method using different sources of silica. The effect of loading the catalyst with yttrium, samarium, and gadolinium on the acidic properties was investigated. Among the metal-loaded catalysts, the Sm/LHZ catalyst showed the best performance in the methanol to propylene conversion due to its high amount of weak and intermediate acid sites, while the Gd-LHZ catalyst increased the selectivity towards ethane and propane.
Article
Chemistry, Applied
Michael Franc, Ivana Cisarova, Jan Vesely
Summary: The present study investigates an enantioselective cyclization of enals with imidazolone derivatives catalyzed by a combination of achiral Pd(0) complex and chiral secondary amine. Corresponding spirocyclic imidazolones were produced in high yields with moderate diastereoselectivity and excellent enantioselectivity. The developed co-operative catalytic methodology provides a highly substituted spirocyclic scaffold with four stereogenic centers under mild conditions.
Article
Chemistry, Applied
Mauro Alvarez, Jennifer Cueto, David P. Serrano, Pablo Marin, Salvador Ordonez
Summary: This study focuses on improving the formulation and preparation methods of catalysts for the production of dimethyl carbonate. By using suitable catalyst preparation methods and copper salt precursors, the researchers successfully produced catalysts with optimal performance for dimethyl carbonate formation.
Article
Chemistry, Applied
Claudia J. Keijzer, Luc C. J. Smulders, Dennie Wezendonk, Jan Willem de Rijk, Petra E. de Jongh
Summary: This study investigates the catalytic behavior of alpha-alumina supported silver catalysts in the presence of chloride. It is found that the particle size of silver can affect the selectivity of the catalyst, but different strategies lead to different results. In this size range, the selectivity of ethylene oxide is correlated to the Ag : Al2O3 surface ratio.
Article
Chemistry, Applied
Takeshi Aihara, Wataru Aoki, Michikazu Hara, Keigo Kamata
Summary: The development of acid-base bifunctional catalysts is important for promoting specific chemical transformations. In this study, Ti-based perovskite oxides were synthesized and used as catalysts for two C-C bond-forming reactions (cyanosilylation and Knoevenagel condensation). The highly pure SrTiO3 nanoparticles with a high specific surface area exhibited the highest catalytic performance, and could be easily recovered and reused.
Article
Chemistry, Applied
Olga Gorlova, Petra Pribylova, Eliska Vyskocilova, Katerina Peroutkova, Jan Kohout, Iva Paterova
Summary: This study investigates the Baeyer-Villiger oxidation of beta-cyclocitral using tin-modified mixed oxides as catalysts. The optimal reaction conditions and the effects of various factors on the reaction course and selectivity were determined. The results show that tin-modified mixed oxides exhibit high activity and selectivity in the oxidation reaction.
Article
Chemistry, Applied
M. I. Avila, M. M. Alonso-Doncel, L. Briones, G. Gomez-Pozuelo, J. M. Escola, D. P. Serrano, A. Peral, J. A. Botas
Summary: The catalytic fast pyrolysis of lignin using ion-exchanged zeolite catalysts showed significant improvements in bio-oil quality and the production of aromatic hydrocarbons and oxygenated compounds.
Article
Chemistry, Applied
Enrico Catizzone, Giorgia Ferrarelli, Paolo Bruno, Girolamo Giordano, Massimo Migliori
Summary: The acid-catalysed alcohol conversion reaction is a promising route for de-fossilization strategies. Research on pure alcohol conversion and simultaneous dehydration of mixed alcohols have shown different product compositions, with the type and distribution of acid sites affecting the reaction mechanism.
Article
Chemistry, Applied
Alireza Ranjbari, Juho Kim, Jihee Yu, Jiyun Kim, Mireu Park, Nayoung Kim, Kristof Demeestere, Philippe M. Heynderickx
Summary: This study investigated a novel kinetic model for the adsorption and photocatalytic degradation of methyl orange using commercial ZnO and reduced ZnO photocatalysts. The results provided new insights into the interaction of catalysts with molecules of different charges and compared with a previous study on methylene blue. The presence of oxygen vacancies in ZnO and their effects on adsorption and photocatalytic degradation were analyzed, and the photocatalytic degradation rate of reduced ZnO was found to increase significantly.