Article
Energy & Fuels
Yanbin Sun, Jianfeng Zheng, Jiajia Xu, Kaixuan Yang, Zhiguo Zhu, Ting Su, Hui Ge, Wanzhong Ren, Hongying Lu
Summary: In this study, a catalyst with Mo5+ connected to the oxygen vacancies in Anderson-type polyoxometalate was developed for the oxidation of HMF to DFF. The catalyst exhibited excellent oxidation performance, high selectivity, and remarkable stability.
Article
Chemistry, Physical
Kun-Yi Andrew Lin, Wen-Da Oh, Meng-Wei Zheng, Eilhann Kwon, Jechan Lee, Jia-Yin Lin, Xiaoguang Duan, Farshid Ghanbari
Summary: The study reveals the catalytic activities of MnO2 crystals with different crystal forms, with beta-MnO2 exhibiting the highest catalytic activity and reusability in the oxidation of HMF to DFF.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Physical
Jianan Teng, Guangyue Xu, Yao Fu
Summary: This study focuses on the synthesis of a non-noble bimetallic catalyst for the oxidation production of dimethyl furan-2,5-dicarboxylate. By optimizing the catalyst performance and reaction conditions, high yield of the desired product was achieved. The relationship between the catalyst properties and performance was elucidated through the characterization and investigation of the catalyst. The study provides insights into the mechanism and application of the catalytic system.
ACTA PHYSICO-CHIMICA SINICA
(2022)
Article
Chemistry, Multidisciplinary
Tat Boonyakarn, Jan J. Wiesfeld, Miyuki Asakawa, Lulu Chen, Atsushi Fukuoka, Emiel J. M. Hensen, Kiyotaka Nakajima
Summary: An acetal protection strategy was used to efficiently synthesize 2,5-diformyfuran. Organic deposits formed during the reaction led to a decrease in catalyst activity, which could be resolved by sonication treatment.
Article
Chemistry, Physical
Aicheng Chen, Tingting Li, Qian Zhang, Hu Zhu
Summary: The introduction of CeO2 can enhance the interface in the cobalt-ceria binary oxide nanojunctions, which can modify the catalytic oxidation properties and improve the catalytic activity and selectivity.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Applied
Linhao Yu, Hong Chen, Zhe Wen, Mengmeng Jin, Zewei Ma, Xueli Ma, Yushuai Sang, Mengmeng Chen, Yongdan Li
Summary: Experimental results demonstrate that α-MnO2 shows the best performance in oxidizing HMF to DFF, and isopropanol can improve the selectivity of DFF. Relatively high conversion rate and selectivity can be achieved at 140℃.
Review
Chemistry, Multidisciplinary
Phuong Hoang Tran
Summary: This Review provides an overview of the latest developments in efficient catalytic systems for the sustainable conversion of HMF to DFF, which is a significant building block chemical derived from sustainable carbohydrates and has promising applications in pharmaceuticals and polymers.
Article
Energy & Fuels
Wenlong Jia, Huai Liu, Xiaoyu Zhao, Yunchao Feng, Miao Zuo, Yong Sun, Xing Tang, Shuliang Yang, Xianhai Zeng, Lu Lin
Summary: A novel bimetallic catalyst FeCu@CN was synthesized through calcination of a Fe-Cu/cellulosic polymer framework precursor, showing outstanding catalytic performance in producing 2,5-diformylfuran (DFF) via selective oxidation of 5-hydroxymethylfurfural (HMF), with a high TOF and efficient HMF conversion. The results revealed that Cu sites and urea modification increased Fe valence, improving lattice oxygen activity and reducing electronic transfer energy, while Fe3+ and Cu played pivotal roles in the redox cycles for catalysis.
Article
Chemistry, Physical
Weiqi Wei, Gaojing Lyu, Weikun Jiang, Zhengyu Chen, Shubin Wu
Summary: In this study, a sulfonic acid-functionalized magnetic separable solid acid catalyst was successfully synthesized and characterized for the efficient conversion of fructose to HMF and DFF. The catalyst showed high activity and stability, allowing for both HMF and DFF production directly from fructose in a two-step process, saving time and energy.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Review
Energy & Fuels
Huimin Sun, Ruohan Xu, Xiang Jia, Zhongyi Liu, Haijun Chen, Tianliang Lu
Summary: This paper reviews the recent research progress in catalytic conversion of HMF to DFF by photocatalytic oxidation, focusing on the reaction mechanisms and different photocatalytic systems. The selectivity of DFF is emphasized. It is hoped that this review will provide a solid foundation and guidance for future studies on cleaner valorization of biomass.
BIOMASS CONVERSION AND BIOREFINERY
(2023)
Article
Chemistry, Multidisciplinary
Aicheng Chen, Tingting Li, Qian Zhang, Hu Zhu
Summary: Cobalt-ceria binary oxide nanojunctions were prepared using a sol-gel method with chelating agents, and the interfaces formed among CeO(2) and Co3O4 were found to promote the generation of nucleophilic O-& BULL;(2) (-) from O-2. The introduction of active sites for transforming O-2 to O-& BULL;(2) (-) is the key to boosting the selective aerobic oxidation of HMF to FDCA. The nanojunctions were found to enhance the FDCA yield dominantly by promoting the oxidation of HMF to HFCA.
Article
Chemistry, Physical
Mengchen Fu, Weiyao Yang, Chenyu Yang, Yiwen Zhang, Chun Shen
Summary: This study achieved a high yield of FDCA synthesis through the synthesis of CoOx-Ag/CeO2 catalysts, and revealed the cooperative role of Ag+ and O-v-Ce3+ sites in the reaction process.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Jiaqi Wang, Yun Yuan, Kaiyuan Ren, Bingqing Wang, Zhaohui Li
Summary: Pt/CdS nanocomposites obtained via photoreduction of [PtCl6]2-over CdS were found to be an efficient and chemoselective photocatalyst for dehydrogenation of HMF to produce DFF under visible light, with simultaneously generation of stoichiometric hydrogen. The superior performance for photocatalytic dehydrogenation of HMF over Pt/CdS should be ascribed to the strong interaction between the furan ring in HMF with Pt nanoparticles (NPs), which enables the protons released from HMF to fast transfer to Pt NPs in close vicinity for further reduction to generate hydrogen. This study provides an efficient and green strategy for the simultaneous transformation of biomass-derived HMF to DFF and the production of clean energy hydrogen. Photocatalysis has great potential in biomass valorization.
JOURNAL OF CATALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Qiwen Wang, Ying Li, Hongyu Guan, Hang Yu, Xiaohong Wang
Summary: The catalyst NH4)(5)H6PV8Mo4O40 supported on hydroxyapatite showed efficient catalytic activity for the oxidative conversion of 5-hydroxymethylfurfural to 2,5-diformylfuran. It can also be reused for at least six times with high stability and duration, making it a promising catalyst for cost-saving one-step reactions.
Article
Chemistry, Physical
Thi-Hong-Hanh Le, Truong-Giang Vo, Chia-Ying Chiang
Summary: This study reports the first use of amorphous mixed cobalt-cerium metal oxides for 5-hydroxymethylfurfural oxidation. The optimized material shows good electrocatalytic activity towards HMF oxidation, with a current density 1.4 times higher than pure CoOx. The incorporation of Ce alters the electronic structure of the composite, promoting catalytic activity through the formation of CoOOH/CoO2.
JOURNAL OF CATALYSIS
(2021)
Article
Chemistry, Applied
Zilong Shen, Lifang Chen, Hongye Cheng, Zhiwen Qi
Summary: In this work, a boric acid-based deep eutectic solvent (DES) was successfully employed to intensify the synthesis of glyceryl monolaurate (GML). The DES formed by equimolar TPAB and boric acid exhibited the lowest freezing point and good thermal stability, promoting the selective esterification process. Under optimal conditions, the GML selectivity reached 85.7% and the yield was 76.4%.
Review
Chemistry, Multidisciplinary
Lifang Chen, Yuhang Xiong, Hao Qin, Zhiwen Qi
Summary: This review summarizes the recent progress in experimental and theoretical studies on the dehydration of carbohydrates to produce 5-hydroxymethylfurfural (HMF) using ionic liquids (ILs) and deep eutectic solvents (DESs) as catalysts or solvents. It also provides an overview of catalytic transformations of HMF to downstream products using ILs and DESs. The challenges and prospects of ILs and DESs for the production of HMF and its derivatives from biomass are discussed.
Article
Energy & Fuels
Zhen Ge, Hongye Cheng, Guojin Zhang, Linsheng Wang, Zhiwen Qi
Summary: The use of a deep eutectic solvent composed of tetrabutylphosphonium bromide and levulinic acid has shown excellent extraction performance in separating light cycle oil components. This study investigates the mechanisms of deep eutectic solvent formation and light cycle oil separation through characterization analysis and molecular dynamics simulations. The results suggest that the hydrogen-bonding interactions between the Br- anion of tetrabutylphosphonium bromide and the carboxyl group of levulinic acid drive the deep eutectic solvent formation, while the functional groups of both compounds play a crucial role in the extraction of aromatic compounds from light cycle oil.
Article
Chemistry, Multidisciplinary
Jingwen Wang, Xudong Tang, Zhiwen Qi, Tao Xu, Ting Zou, Yu Bie, Dengjia Wang, Yanfeng Liu
Summary: This study combines computer-aided ionic liquid design and TRNSYS simulation to identify suitable ionic liquids for solar energy storage as thermal storage media and heat transfer fluids. Mixed-integer nonlinear programming is used to search for optimal ionic liquid structures, and TRNSYS simulations are conducted to study the practical performance of the designed liquids. The results demonstrate the feasibility and sustainability of the designed ionic liquids for solar energy storage.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Engineering, Chemical
Tian Tan, Hongye Cheng, Guzhong Chen, Zhen Song, Zhiwen Qi
Summary: Accurate prediction of infinite dilution activity coefficient (gamma(infinity)) is crucial for phase equilibria and process design. This study proposes a new method based on neural collaborative filtering (NCF) to fill in the gamma(infinity) matrix, and the experimental results show that it outperforms traditional models and previous machine learning models. The completed matrix can also be used for solvent screening and parameter extension.
Article
Engineering, Chemical
Ruizhuan Wang, Jiahui Chen, Zhen Song, Zhiwen Qi
Summary: The combination of Redlich-Kister theory and machine learning is used to predict the solid-liquid equilibria of eutectic solvent systems, which is crucial for their design.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Engineering, Chemical
Guzhong Chen, Zhen Song, Zhiwen Qi, Kai Sundmacher
Summary: This work presents a scalable and integrated machine learning framework for building quantitative structure-property relationship (QSPR) models. The framework integrates various steps such as molecular descriptor generation, feature engineering, model training, selection and ensembling, as well as model validation and timing. By ensembling multiple models and stacking them in multiple layers, the proposed framework achieves better predictive performance compared to existing methods. The effectiveness of the framework is demonstrated through case studies on flash point temperature, melting temperature, and octanol-water partition coefficients, using identical datasets.
Article
Engineering, Chemical
Jie Cheng, Kunchi Xie, Pengyu Guo, Hao Qin, Liyuan Deng, Zhiwen Qi, Zhen Song
Summary: In this study, a comparative multi-level absorbent screening method was used to identify promising ionic liquids (ILs) and deep eutectic solvents (DESs) as alternative CO2 absorbents. Important physical and thermodynamic properties were estimated using deep learning and COSMO-RS models, while safety-related properties were assessed using the VEGA platform. The top ILs and DESs were identified and their CO2 capture processes were simulated, with 1-methyl-1-propylpyrrolidinium bromide: methylimidazole (1:2) identified as the most efficient absorbent. Quantum chemistry calculations were also conducted to understand its absorption mechanism.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Engineering, Chemical
Zhen Song, Jiahui Chen, Hao Qin, Zhiwen Qi, Kai Sundmacher
Summary: Although eutectic solvents have been widely studied as sustainable process fluids, the prediction of eutectic formation is still challenging due to the lack of computational methods. In this study, the UNIFAC models were evaluated and extended to predict the solid-liquid equilibria of eutectic solvents. The models were validated using 25 eutectic systems composed of conventional components and further extended to include novel salt-component-related functional groups in 50 eutectic systems. The models were used for theoretical design and experimental validation of novel eutectic solvents.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Electrochemistry
Li Ding, Zhaoxing Li, Lifang Chen, Zhiwen Qi
Summary: K+ pre-inserted birnessite-type MnO2 electrode material with excellent electrochemical performance can be synthesized rapidly by adding ethanolamine compounds in mixed solvents. The pre-inserted K+ ions can improve the energy storage and cycling stability, leading to a capacity retention rate of 92.5% after 8000 cycles for MnO2.
ELECTROCHIMICA ACTA
(2023)
Article
Chemistry, Multidisciplinary
Qing-en Li, Bing J. Zhang, Shu-shen Lyu, Zhiwen Qi
Summary: This study fully investigated the spontaneous combustion characteristics of activated carbon modified via liquid phase impregnation. The results showed that the temperature triggering the combustion of the modified activated carbon during the drying process is between 175 and 180 degrees Celsius.
Article
Chemistry, Multidisciplinary
Guzhong Chen, Zhen Song, Zhiwen Qi, Kai Sundmacher
Summary: This research presents a transfer learning frameworkILTransR for predicting the properties of ionic liquids (ILs). High accuracy can be achieved by pre-training the model on a large amount of unlabeled data and fine-tuning on limited labeled data.
Article
Engineering, Chemical
Kunchi Xie, Jiahui Chen, Jie Cheng, Ruizhuang Wang, Hongye Cheng, Zhiwen Qi, Kake Zhu, Zhen Song
Summary: In this study, a systematic method is proposed for tailoring double salt ionic liquids (DSILs) for o-xylene/n-octane separation. Promising DSILs are selected based on predicted and estimated physical properties, and their performance is validated through experimental tests. The mechanism underlying the tunability of DSIL thermodynamic properties is also revealed.
Review
Chemistry, Multidisciplinary
Jiawei Ruan, Lifang Chen, Zhiwen Qi
Summary: This review provides a detailed overview of the latest advances in deep eutectic solvents (DESs) for CO2 capture and utilization. It summarizes CO2 capture in DESs from the perspective of physical and chemical absorption, emphasizing various absorption mechanisms, thermodynamic analyses, effects of water, and computer-aided DES screening and design methods. Additionally, it discusses the thermal conversions and electrochemical reduction processes of CO2 mediated by DESs.
Article
Materials Science, Multidisciplinary
Lifang Chen, Li Ding, Hongye Cheng, Zhiwen Qi
Summary: In this study, a hierarchical Ag/AgBr/Bi2MoO6 heterojunction composite was prepared using hydrothermal synthesis and subsequent deposition-photoreduction without the addition of a structure-directing agent. The obtained composite exhibited enhanced photocatalytic activity under visible-light irradiation and showed excellent degradation abilities for various organic dyes. The improved performance was attributed to the construction of a Z-scheme bridge using Ag nanoparticles, which increased the separation efficiency of photogenerated electron-hole pairs.
BULLETIN OF MATERIALS SCIENCE
(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.
