Article
Chemistry, Applied
Paola Riani, Gabriella Garbarino, Tullio Cavattoni, Guido Busca
Summary: Two Co/SiO2 catalysts exhibit different catalytic behaviors in CO2 methanation and reverse water gas shift reactions, with carbon nanotubes produced not affecting the catalyst activity.
Review
Physics, Multidisciplinary
Zoe Gromotka, Gregory Yablonsky, Nickolay Ostrovskii, Denis Constales
Summary: The study introduces a three-factor kinetic equation of catalyst deactivation, which includes the main cycle, reversible deactivation, and irreversible deactivation phases. By separating different factors to describe the catalyst deactivation process, the equation is successfully applied to experimental data.
Article
Chemistry, Physical
Celia Martin, Asuncion Quintanilla, Gonzalo Vega, Jose A. Casas
Summary: A kinetic model has been developed to describe the hydrogen production and deactivation mechanism during formic acid decomposition over a commercial 10 wt% Pd/AC catalyst. The study found that the reaction follows a first order kinetic for formic acid, and the activity shows exponential decay with the initial formic acid concentration and reaction temperature.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Green & Sustainable Science & Technology
Ainara Ateka, Ander Portillo, Miguel Sanchez-Contador, Javier Bilbao, Andres T. Aguayo
Summary: An original kinetic model was used to study the performance of a bifunctional catalyst in DME synthesis from CO/CO2 hydrogenation. The model considers different reactions occurring in different parts of the catalyst particle and predicts DME yields and CO2 conversion under various reaction conditions.
Article
Chemistry, Physical
HuaLun Zhu, Ziyin Chen, Laura Pastor-Perez, Xiangyi Long, Marcos Millan
Summary: Tar removal by catalytic steam reforming is important in gasification hot gas treatment. The effect of a full syngas mixture on this reaction has not been comprehensively investigated. This study analyzes the effect of each component and their combinations on steam reforming of toluene as a biomass gasification tar model. The presence of H2 and CH4 promotes catalyst deactivation, while CO and CO2 have minor inhibitory effects.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Engineering, Environmental
Xiangtong Kong, Shikha Garg, Guifeng Chen, David Waite
Summary: In this study, the performance of a catalytic ozonation process for treating coal chemical industry wastewater using Fe2O3/Al2O3·SiO2 catalyst was investigated. The catalyst's activity decreased over time due to the formation of a carbonaceous layer on its surface, which inhibited the ozone-catalyst interaction. Calcination was found to be an effective method for restoring the catalyst's activity by removing the carbonaceous layer. Cost analysis showed that regeneration through calcination is economically viable compared to catalyst replacement.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Engineering, Environmental
Gang Wang, Zengxi Li
Summary: In this study, the deposition and deactivation behavior of TFE and HFP oligomers on catalysts with different Lewis and BrOnsted acid site densities were investigated using (modified) Voorhies equation. The results showed that both BrOnsted and Lewis acid sites were responsible for the formation and deposition of TFE and HFP oligomers. The exponential relationship between the amount of oligomers deposited on catalyst and catalytic decay factor can be used to describe the catalyst deactivation process, which is important for catalyst modification and reaction condition optimization.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Dongyang Zhang, Jianbo Zhang, Run Li, Huiyong Chen, Qingqing Hao, Yonghui Bai, Jianxuan Shang, Lei Zhang, Xiaoxun Ma
Summary: This study investigates the effects of thermal treatment temperature and nickel nitrate impregnation concentration on the CO2 methanation reaction using commercially available coal char supported nickel catalysts.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Energy & Fuels
Francisco J. Vela, Roberto Palos, David Trueba, Tomas Cordero-Lanzac, Javier Bilbao, Jose M. Arandes, Alazne Gutierrez
Summary: A six lump-based kinetic model was developed to predict the hydrocracking process of a blend of high-density polyethylene (HDPE) and vacuum gas oil (VGO). The model identified the optimal operating conditions for achieving high conversion rates and liquid fuel production.
Article
Green & Sustainable Science & Technology
Tina Rocnik Kozmelj, Matej Zula, Janvit Terzan, Blaz Likozar, Uros Maver, Laura Cinc Curicc, Edita Jasiukaityte-Grojzdeka, Miha Grilc
Summary: The mechanisms, activity, and selectivity of the acid-supported transition metal rate catalyst (NiMo/Al2O3) for the hydrogenation, hydrodeoxygenation (HDO), and defunctionalization of lignin model compounds were investigated. The commercially available NiMo/Al2O3 intermediates showed strong acidity, which did not promote complete bond saturation but instead favored the formation of higher molecular weight compositions. The study provides insights for understanding and optimizing efficient valorization processes.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Chemistry, Physical
Haolan Liu, Zhili Chang, Jie Fu, Zhaoyin Hou
Summary: Cu-based catalysts play a significant role in many industrial processes, but their application under high temperature is limited due to their low Tammann temperature. This study presents a stable Cu/ZnO@SiO2 catalyst prepared by introducing silicon, which enhances its surface area and activity for ethanol dehydrogenation, leading to excellent stability.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Engineering, Chemical
Sakun Preedavijitkul, Chaowat Autthanit, Supachai Jadsadajerm, Chombongkot Srijaroen, Piyasan Praserthdam, Bunjerd Jongsomjit
Summary: This study evaluated the stability and deactivation of the catalyst during prolonged ethanol dehydrogenation. The activity of the Cu-Cr catalyst was found to be influenced by the oxidation state of copper-chromium. Deactivation of the catalyst was caused by the change in the copper-chromium oxidation state via the hydrogen self-reduction process and the formation of soft coke on active sites during ethanol dehydrogenation.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2023)
Article
Engineering, Environmental
David Trueba, Roberto Palos, Javier Bilbao, Jose M. Arandes, Alazne Gutierrez
Summary: This study conducted kinetic modeling of the hydrocracking of a mixture of polystyrene (PS) and vacuum gasoil (VGO). Different reaction networks and kinetic models were studied, and the optimal conditions for maximizing the yield of naphtha and complete conversion of PS were determined. The findings of this study can serve as a basis for scaling-up studies on the large-scale valorization of waste plastics.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Zheng Li, Yihui Li, Xuepeng Wang, Yuan Tan, WenShao Yang, Hejun Zhu, Xingkun Chen, Wei Lu, Yunjie Ding
Summary: The hydrogenation of dimethyl oxalate to produce ethanol is a research topic of great interest due to its environmentally friendly nature. However, the yield of ethanol using Cu-based catalysts remains a challenge. In this study, a molybdenum-doped Cu catalyst was synthesized and demonstrated to be a robust catalyst with a high ethanol yield. The addition of Mo increased the amount of surface Cu+ species and enhanced the surface acidity, resulting in a high ethanol selectivity.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Kaixuan Chen, Yankai Cao, Huihong Zhu, Hailong Ge, Tao Yang, Zhiming Zhou, Zhenmin Cheng
Summary: Residue catalytic hydrogenation experiments were conducted in a two-stage fixed-bed reactor system to mimic industrial operation. Coke deposition was found to be the main cause of initial stage deactivation, while the deposition of metal sulfides led to slow deactivation in the middle stage. A deactivation model considering catalyst activity as a function of time on stream (TOS) was proposed and applied to the reaction. Deactivation parameters for different catalysts were obtained by fitting experimental data. Multi-bed hydrogenation was shown to effectively increase catalyst life.
Article
Chemistry, Applied
Jongmin Park, Yesol Woo, Hyun Seung Jung, Haelin Yang, Won Bo Lee, Jong Wook Bae, Myung-June Park
Summary: A kinetic model for the direct synthesis of dimethyl ether from syngas using a hybridized catalyst was developed. The model estimated kinetic parameters and determined optimal conditions for thermal efficiency.
Article
Chemistry, Physical
Seo-Hyeon Baek, Kyunghee Yun, Dong-Chang Kang, Hyejin An, Min Bum Park, Chae-Ho Shin, Hyung-Ki Min
Summary: High surface area molybdenum nitride was prepared through temperature-programmed nitridation, with nitridation temperature being the key parameter affecting surface area. The catalyst with the highest degree of nitridation showed superior catalytic activity for ammonia decomposition due to its high surface area. Oxygen exposure resulted in surface area decrease, but H-2 treatment restored it to 90% of the initial value.
Article
Engineering, Environmental
Sunkyu Shin, Solji Choi, Jonggeol Na, Ikhwan Jung, Min-Kyu Kim, Myung-June Park, Won Bo Lee
Summary: The study indicates that circulation flow pattern in industrial-scale reactors can result in a broad molecular weight distribution and bimodality of polymers, highlighting the importance of controlling the flow pattern to produce polymers with desired properties.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Chemical
Yeojin Kim, Yesol Woo, Hyeon Park, Youngmin Kim, Ho-Jeong Chae, Myung-June Park
Summary: This paper proposes a kinetic model for the chlorination of methane in the presence of a catalyst. The model accurately describes the experimental data and provides insights into the factors influencing the reaction.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Jae Hun Jeong, Seungwoo Kim, Myung-June Park, Won Bo Lee
Summary: This work focuses on modeling and optimizing methanol synthesis to efficiently utilize CO2. The study successfully developed a process model using kinetic reactors and conducted multi-objective optimization to maximize CO2 reduction and economic profit.
KOREAN JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Jae Hun Jeong, Yoori Kim, Se-Young Oh, Myung-June Park, Won Bo Lee
Summary: We investigated the conversion of CO2 in the exhaust gas of an engine plant into methanol and found that purifying CO2, controlling the reforming temperature, and utilizing steam can significantly enhance methanol production rates.
KOREAN JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Applied
Jong Jin Kim, Dong Jae Jeong, Hyun Seung Jung, Young Gul Hur, Jin Woo Choung, Joon Hyun Baik, Myung-June Park, Chan-Hwa Chung, Jong Wook Bae
Summary: Superior catalyst activity and stability for DME conversion to gasoline-range hydrocarbons can be achieved by using a novel hierarchically-structured hybridized FER@ZSM-5 catalyst. The strong interactions between ZSM-5 and FER surfaces, as well as the formation of well-dispersed aggregates with the help of a propanol additive, contribute to the suppression of heavy coke depositions.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Hyeon Park, Jong Wook Bae, Gookhee Kim, Myung-June Park
Summary: Integrated process models were developed to produce dimethyl ether (DME) from byproduct gas of the steelmaking process, considering different separation trains and recycling strategies. The absorber with hydrogen recycling was identified as the most feasible process for economically producing DME with high CO2 reduction.
KOREAN JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Hyeon Park, Ho-Jeong Chae, Young-Woong Suh, Young -Min Chung, Myung-June Park
Summary: A model for the bioethanol-to-jet fuel process was developed to analyze its techno-economics and CO2 emissions. The study found that the process had low profitability but was environmentally friendly.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Energy & Fuels
Ji Su Yu, Jae Min Park, Jae Hyeon Kwon, Kyung Soo Park, Jin Woo Choung, Myung-June Park, Jong Wook Bae
Summary: In this study, the catalytic and thermal stability of Ni nanoparticles were enhanced by using an ordered mesoporous Al2O3 support and successive Al2O3 protective layers. This resulted in improved catalytic activity and stability for steam and CO2 reforming with CH4 (CSCR). The synergy effects of the Al2O3 overlayers on the ordered mesoporous Ni/m-Al were attributed to the formation of strongly interacted Ni-Al2O3 interfaces, which restricted the migrations of the Ni nanoparticles and preserved their original sizes.
Article
Chemistry, Multidisciplinary
Seungwoo Kim, Hyun Seung Jung, Won Bo Lee, Jong Wook Bae, Myung-June Park
Summary: A process model was developed to selectively generate ethanol or acetic acid using syngas from coke oven gas. The results of the simulation show that the carbon molar yield can be significantly increased by introducing a recycling loop.
KOREAN JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Engineering, Chemical
Sunkyu Shin, Damin Lee, Ji Ye Oh, Youngjo Kim, Myung-June Park, Won Bo Lee
Summary: Computational fluid dynamics (CFD) modeling was used to evaluate the effects of comonomer ratios on the dynamics and properties of an industrial ethylene-vinyl acetate autoclave copolymerization reactor. The CFD-multicompartment model and probability generating function (PGF) transform were applied to accurately predict the molecular weight distribution (MWD) of copolymer chains under nonideal mixing conditions. The model was validated using plant data and simulated results, showing satisfactory consistency. The study revealed that an increase in the vinyl acetate (VA) content decreased the temperature and influenced the copolymer MWD and composition. Despite nonideal mixing, the copolymer composition remained uniform throughout the reactor volume. The proposed model can be used for understanding copolymerization behavior, designing commercial reactors, and predicting product qualities.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Chemistry, Physical
Damin Lee, Jong Jin Kim, Mansoor Ali, Jin Woo Choung, Won Bo Lee, Jong Wook Bae, Myung-June Park
Summary: A new kinetic model based on dual-cycle reaction mechanism was developed to synthesize gasoline-range hydrocarbons from dimethyl ether over a nanostructured ZSM-5 catalyst. The model accurately predicted product selectivity and yield variations with operating conditions.
CATALYSIS SCIENCE & TECHNOLOGY
(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.