Article
Chemistry, Physical
Jian-Rui Feng, Gui-Chang Wang
Summary: This study investigated the ligand effect and catalytic effect of nitrogen dopant in carbon support using density functional theory calculations. The results showed that nitrogen site can efficiently cleave the O-H bond, enhancing the performance of formic acid hydrogenation. Microkinetic simulations further determined the optimal nitrogen doping concentration as a function of temperature.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Benjamin W. J. Chen, Saurabh Bhandari, Manos Mavrikakis
Summary: Hydrogen bonding interactions play a crucial role in influencing the reaction mechanisms of formic acid decomposition on Cu(111) surface, with bimolecular FA-HCOO complexes being identified as dominant intermediates. The study predicts that 40-80% of the reaction flux may go through pathways involving these complexes under specific reaction conditions. Additionally, the hydrogen-bonded complexes stabilize intermediates and transition states, providing important insights for the development of novel catalysts in industrial chemistries involving hydrogen bonding intermediates.
Article
Chemistry, Physical
Saurabh Bhandari, Srinivas Rangarajan, Sha Li, Jessica Scaranto, Suyash Singh, Christos T. Maravelias, James A. Dumesic, Manos Mavrikakis
Summary: An iterative approach using density functional theory and reaction kinetics experiments was employed to determine the reaction mechanism and active site for formic acid decomposition on a Pd/C catalyst. Parametrization of models using DFT energetics on clean Pd(100) and Pd(111) required significant corrections to match experimental data. Models formulated with partially CO*-covered Pd(111) and Pd(100) facets better represented the active site and exhibited consistent CO* coverages. The study highlights the importance of coverage self-consistent microkinetic models and spectator-assisted mechanisms to understand the active site under reaction conditions.
Article
Chemistry, Physical
Anqi Dong, Qing Jiang, Yitong Zhou
Summary: Efficient catalysts for formic acid decomposition have been extensively studied. In this study, the Au3Pd1 intermetallic compound is designed as a single atom catalyst for formic acid dehydrogenation. The thermodynamic stability, electronic structure, and reaction mechanism of the Au3Pd1 catalyst are systematically investigated, and it is found that surface charge polarization and atom-ordered arrangement play an important role in the efficient dehydrogenation process. The results suggest that this intermetallic-based catalyst can be applied to other systems and provide general guidance for designing efficient catalysts.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Green & Sustainable Science & Technology
Liping Cao, Zhibin Su, Ruirui Liu, Tao Zhou
Summary: This study investigated the early failure of asphalt pavements under complex environments and increasing traffic loads. By using biomass oil and solid waste materials, the study achieved high-performance and sustainable asphalt materials. The order of adding the modifiers and the preparation process were determined through various tests and evaluations. The study revealed the effect of modifier addition order on the physical properties of modified asphalt and laid the foundation for the sustainable development of asphalt.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Chemistry, Analytical
Jianwen Lu, Shanshan Wang, Qingyuan Li, Shipei Xu, Chao Wang, Yulong Wu
Summary: This paper investigates the effects of formic acid and catalysts on the properties of bio-oil produced from hydrothermal liquefaction (HTL) of microalgae. The results show that the addition of formic acid and catalysts slightly decreases the bio-oil yield but increases the carbon, hydrogen content, and higher heating values of the bio-oil. Additionally, the introduction of formic acid and catalysts alters the composition and fraction characteristics of the bio-oil.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2022)
Article
Chemistry, Physical
Mosab Jaser Banisalman, Min-Cheol Kim, Sang Soo Han
Summary: A comprehensive theoretical study on NH3 synthesis of bimetallic Ru-Co catalysts using density functional theory and microkinetic modeling has been conducted, revealing that the spin-symmetry breaking of RuCo surface enables more facile N-2 dissociation and enhances catalytic activity for NH3 synthesis, providing an alternative strategy to catalyst design.
Article
Chemistry, Physical
Ling Xiao, Ping Hu, Zhi-Jun Sui, De Chen, Xing-Gui Zhou, Wei-Kang Yuan, Yi-An Zhu
Summary: A descriptor-based microkinetic analysis was used to screen for inexpensive and environmentally friendly propane dehydrogenation catalysts, leading to the synthesis and evaluation of non-precious Fe3Ga1 catalyst with improved propylene selectivity and catalytic stability compared to Pt catalyst.
JOURNAL OF CATALYSIS
(2021)
Article
Materials Science, Paper & Wood
Peng Zeng, Ying-Hong Xu, Ming -Fei Li
Summary: Formic acid (FA) was used to reductively depolymerize industrial corncob lignin via the ethanol and Pt/C system. The highest bio-oil yield of 71.4% was achieved at 260 degrees C with an FA/lignin ratio of 8 for 0.5 h. The bio-oil consisted of oligomers (MW within 600 Da) and lignin depolymerized fragments (MW beyond 600 Da). The study emphasizes the importance of reaction temperature in determining the properties of bio-oil and highlights the potential to increase the amount of alkylphenols in bio-oil through appropriate temperature and retention time adjustments. The findings provide a theoretical basis for the future upgrading of bio-oil to biofuels and aromatic chemicals.
Article
Construction & Building Technology
Haisong Luo, Chuanfeng Zheng, Baoxiang Liu, Chonghao Bao, Bowen Tian, Wenyue Liu
Summary: By utilizing the crosslinking reaction among bio-oil, sulfur, and SBS, an efficient dry modifier was prepared to improve the road performance of dry modified asphalt mixture. Molecular models at the micro level were established, and the modification effect of the compound dry modifier was verified through basic performance tests at the macro level.
CONSTRUCTION AND BUILDING MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Xinna Wang, Wanjing Ou, Di Feng, Bo Gao, Barbara Pui Chan
Summary: The Wnt signaling pathway plays a crucial role in various cellular processes. This study successfully immobilized a concentration gradient of Wnt3a on a protein substrate using the MMM technology. The Wnt3a gradient showed bioactivity and induced cell proliferation and Wnt/beta-catenin signaling activation in mouse L cells. Furthermore, human hair dermal papilla cells cultured in the Wnt3a gradient demonstrated Wnt3a-gradient-dependent hair-inductive phenotype. This research contributes to the development of a biochip for drug screening and therapeutics in hair regeneration.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Engineering, Chemical
Jan Nisar, Nouman Khan, Ghulam Ali, Faisal Muhammad, Afzal Shah, Ahsan Sharif, Ejaz Ahmed
Summary: This research investigates the pyrolysis of walnut shells with cobalt doped cerium oxide and without catalyst. The study finds that catalytic pyrolysis produces bio-oil with more short-chain compounds compared to non-catalytic pyrolysis. Thermogravimetric analysis shows a lower activation energy and optimum temperature for catalytic pyrolysis. These findings contribute to the sustainable utilization of walnut shells as an energy source.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Polymer Science
Abdus Sobhan, Shahab Saedi, Magdalene Hoff, Yaohua Liang, Kasiviswanathan Muthukumarappan
Summary: This research aimed to improve the properties of bio-based resins by investigating the variation of formic acid contents. The results showed that the use of formic acid significantly affected the epoxidation process of soybean oil, leading to a higher conversion of carbon-carbon double bonds. The formulated bio-resin film exhibited improved tensile strength and thermal stability. This study provides valuable insights for designing an effective epoxidation process for renewable sources and developing bio-resin materials for future packaging applications.
Article
Energy & Fuels
N. Asikin-Mijan, G. AbdulKareem-Alsultan, M. S. Mastuli, A. Salmiaton, Mohamad Azuwa Mohamed, H. V. Lee, Y. H. Taufiq-Yap
Summary: Bifunctional Co-W catalysts were prepared for the catalytic deoxygenation-cracking of tung oil to produce jet fuel fractions. The CoW/SA catalyst showed the highest activity and outperformed the monometallic Co and W catalysts. It was found that excessively high metal dosages led to over cracking, while lower metal dosages effectively controlled over cracking. The resulting TO-jet fuel had excellent physicochemical properties and combustion characteristics.
Article
Energy & Fuels
Shanhui Zhao, Wanjun Xu, Haiming Gu, Xiaolong Bi, Linghai Chen, Yunliang Zhang
Summary: This study investigated the interaction mechanisms between specific sites on char surface and tar compounds at the molecular level using density functional theory and experiments. The results show that heterogeneous adsorption can effectively enhance the decomposition of benzene and reduce the decomposition temperature, while potassium has a negative effect on tar cracking.
Article
Green & Sustainable Science & Technology
Hongcai Su, Mi Yan, Shurong Wang
Summary: Supercritical water gasification (SCWG) is an efficient technology for converting wet biowaste into energy, with transition metal-based catalysts playing an important role in promoting hydrogen production rate. Researchers have focused on improving the catalytic performance and recyclability of these catalysts for their applications in SCWG of biowaste.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2022)
Article
Energy & Fuels
Xiaonan Zhu, Shurong Wang, Lei Wang
Summary: This study analyzes the greenhouse gas (GHG) intensities of six types of power generation in China using a life cycle assessment approach. The results show that these intensities are closely related to the power grid mix in each region.
ENERGY SCIENCE & ENGINEERING
(2022)
Article
Engineering, Environmental
Yajie Fu, Cederick Cyril Amoo, Haochen Qi, Heyang Liu, Lingjun Zhu, Peng Lu, Ruiqin Yang, Chuang Xing, Shurong Wang, Jian Sun
Summary: This study presents the characteristics of catalysts derived from FeNa-EDTA that enhance olefin selectivity in CO2 hydrogenation. The catalysts are facilely prepared and exhibit high dispersing of 'Na' and Fe species, leading to enhanced formation of iron carbides. Carboxylates and nitrogen functional groups on the catalyst surfaces facilitate the adsorption of CO2 gas and boost olefin formation. The catalysts achieve high olefin selectivity and low CO selectivity, making them environmentally benign.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Energy & Fuels
Kaifeng Lu, Yifan Wang, Caidi Jin, Robert Liao, Weihong Tan, Jun Ye, Lingjun Zhu, Shurong Wang
Summary: This study introduces a novel approach on developing efficient and recyclable catalyst for biorefining. By loading tungstophosphoric acid on a titania support, a catalyst with advantages in acidity flexibility and catalytic stability was obtained for the dehydration of xylose to furfural. Through optimization of reaction conditions, high conversion and yield were achieved, and the catalyst remained effective after multiple recycling. The reaction kinetics revealed the factors affecting the furfural yield.
Article
Chemistry, Physical
Yangkai Sun, Dan Xu, Shurong Wang
Summary: This study presents a multiple heteroatom-doped three-dimensional interconnected carbon material obtained from the self-assembly of biomass derivatives with the assistance of boric acid, demonstrating high specific surface area and good specific capacitance in 6 M KOH electrolyte. It shows excellent performance in both fast charge/discharge and long-term cycling stability in PVA/KOH gel electrolyte.
Article
Energy & Fuels
Xing Zhang, Jingfeng Wu, Lingjun Zhu, Shurong Wang
Summary: A novel strategy was proposed to produce diesel-like liquid fuel from lignin-derived bio-oil and plant/animal oil through hydrodeoxygenation-in situ esterification. The utilization of both aromatic units and -OCH3 groups of lignin was achieved. Model compounds, guaiacol and lauric acid, successfully produced cyclohexyl laurate and methyl laurate, satisfying the biodiesel standard. The yield of esters reached 112.5 mol % with nearly complete conversion of guaiacol. The presence of an additional -OCH3 group hindered the formation of cyclohexanol while increasing the yield of methanol. Lignin-derived dimers were also efficiently converted into diesel-like liquid fuel rich in esters and cycloalkanes.
Article
Engineering, Environmental
Shaoqiu Ding, Xinhong Han, Lingjun Zhu, Hanyu Hu, Liwu Fan, Shurong Wang
Summary: Low-temperature carbonized aerogels derived from biomass materials are proposed as an effective solution for absorbing oils from contaminated water, showing high absorption capacities and separation efficiencies even in harsh environments.
Article
Chemistry, Multidisciplinary
Hongcai Su, Yanjun Hu, Hongyu Feng, Lingjun Zhu, Shurong Wang
Summary: The widespread use of plastic has caused significant pollution challenges worldwide. Polyethylene terephthalate (PET) waste, as the most common polyester plastic, can be effectively converted into H2 fuel and terephthalic acid through a novel and simple one-pot strategy. A high H2 yield and carbon conversion efficiency were achieved using a Ru-5ZnO/ mesoporous carbon (MEC) catalyst at a low temperature of 250 degrees C. This sustainable solution has been successfully applied to different types of PET waste and shows great potential for practical applications.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Energy & Fuels
Kaifeng Lu, Yifan Wang, Lingjun Zhu, Bo Xing, Shurong Wang
Summary: This study demonstrated the potential of using heteropoly acid as a catalyst in a green solvent system composed of gamma-valerolactone and water for the production of levulinic acid from biomass-derived saccharides. Silicotungstic acid had the highest catalytic activity and could achieve a levulinic acid yield of 87.7% from glucose conversion under optimal conditions.
Review
Energy & Fuels
Bo Xing, Yanjun Hu, Dan Xu, Bingshuo Li, Yanlong Li, Wenjie Guan, Rundong Li, Shurong Wang
Summary: This paper reviews recent advances in the copyrolysis of biomass and organic solid waste (OSW) and highlights the potential of this process for the reutilization of waste materials and the production of alternative energy sources. The study discusses the mechanisms, thermal-chemical processes, and effects on product characteristics, as well as the challenges and future perspectives of copyrolysis.
Article
Chemistry, Multidisciplinary
Hongcai Su, Dan Xu, Tian Li, Lingjun Zhu, Shurong Wang
Summary: This study presents a new strategy for converting polypropylene waste into H-2 fuel in a mild and clean manner. By oxidizing the waste into small-molecule organic acids and then catalytically reforming the oxidation products, a high yield and purity of H-2 fuel can be obtained. This strategy not only has the advantages of high efficiency and purity, but also maintains the relative stability and cleanliness of the system.
Article
Energy & Fuels
Chengzhi Zhang, Jingfeng Wu, Canhao Hua, Lingjun Zhu, Kunzan Qiu, Shurong Wang
Summary: This study prepared catalysts using Nb2O5 supports with three different crystal structures (pseudohexagonal-TT, orthorhombic-T, and monoclinic-H) and loaded bimetal Ni and Co for the hydrodeoxygenation (HDO) of lignin-derived phenolics. The research found that the structural properties and acidity of the supports and catalysts deteriorated with increasing calcination temperatures. Additionally, the interaction strength between the supports and active metals and the catalyst reduction times were related to the oxygen vacancy content. The best catalyst exhibited complete conversion of reactant and high cycloalkane selectivity.
Article
Chemistry, Analytical
Zihang Zhang, Dan Xu, Zijian He, Shurong Wang
Summary: This study investigated the co-pyrolysis characteristics, kinetics, gas and liquid products of cellulose and PET mixtures using a two-stage reactor and deep learning approach. The results accurately predicted the thermal decomposition process and synergistic effects using temperature, catalyst, mixing ratio, and heating rate variables. The co-pyrolysis of cellulose and PET led to a reduction in carbohydrates, furans, alcohols, ketones, and phenols, while increasing the content of acids. The introduction of ZSM-11 resulted in an increase in aromatics and a decrease in acids content. This work provides valuable guidance for effective disposal of municipal solid waste and the application of deep learning methods.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2023)
Article
Chemistry, Physical
Yangkai Sun, Dan Xu, Zijian He, Zihang Zhang, Liwu Fan, Shurong Wang
Summary: This study proposes a method for the directional preparation of hierarchical porous carbon materials using carbon aerogels assisted by mantis shrimp shells. The resulting carbon materials exhibit a porous structure with a reasonable pore size distribution, high specific surface area, and N/O doping, leading to excellent electrochemical properties. The hierarchical porous structure prepared with the assistance of mantis shrimp shells promotes the rapid diffusion of ions, enabling the achievement of high energy densities in supercapacitors.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Engineering, Environmental
Xing Zhang, Jingfeng Wu, Tian Li, Chengzhi Zhang, Lingjun Zhu, Shurong Wang
Summary: This study investigates the hydrodeoxygenation (HDO) of lignin-derived bio-oil and develops a highly stable catalyst and solvent system to enhance yield and stability. The optimized catalyst shows high activity under optimal conditions and retains its stability in repeated use. High yields are also obtained in the HDO of other complex lignin-derived compounds. This research highlights the importance of this catalyst system in biofuel production.
CHEMICAL ENGINEERING JOURNAL
(2022)
