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Advanced oxidation via the synergy of C-defective/C-O band modified ultrathin porous g-C3N4 and PMS for efficient photothermal degradation of bisphenol pollutants and lignin derivatives

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Green Energy & Environment 2024年第7期9卷 1159-1170页

作者： Liquan Jing Meng Xie Yuanguo Xu Chun Tong Xia Du Heng Zhao Na Zhong Huaming Li Jinguang Hu School of Chemistry and chemical engineering Jiangsu University department of chemical and Petroleum engineering University of Calgary School of Pharmacy Jiangsu University School of Material Science & chemical engineering Harbin University of Science and Technology institute for Energy research Jiangsu University

This work uses thermal polymerization of urea nitrate, oxyacetic acid and urea as the raw material to prepare ultra-thin porous carbon nitride with carbon defects and C-O band（OA-UN-CN）. Density functional theory（DFT） calculations showed OA-UN-CN had narrower band gap,faster electron transport and a new internal construction electric field. Additionally, the prepared OA-UN-CN significantly enhanced photocatalytic activation of peroxymonosulfate（PMS） due to enhanced light absorption performance and faster electron overflow. As the result, the OA-UN-CN/PMS could entirely degrade bisphenol A（BPA） within 30 min, where the photodegradation rate was 81.8 and 7.9 times higher than that of g-C3N4and OA-UN-CN, respectively. Beyond, the OA-UN-CN/PMS could likewise degrade other bisphenol pollutants and sodium lignosulfonate efficiently. We suggested possible photocatalytic degradation pathways accordingly and explored the toxicity of its degradation products. This work provides a new idea on the development of advanced photocatalytic oxidation processes for the treatment of bisphenol pollutants and lignin derivatives, via a metal-free photothermal-catalyst.

关键词： Photothermal-catalytic G-C 3 N 4 Peroxymonosulfate Bisphenol Sodium lignosulfonate

Surface morphologies of Mg-Gd alloy particle during its reactions with O_(2) and Teflon

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Defence Technology（防务技术） 2024年第3期33卷 209-221页

作者： Yifan Li Hongtao Yang Aifeng Jiang Dongming Song Yanchun Li department of chemical engineering Nanjing University of Science and TechnologyNanjing 210097China Xi'an Modern Chemistry research institute Xi'an 710065China Southwest Technology and engineering research institute Chongqing 400039China

Mg-Gd alloy particle has exhibited its unique combustion properties as the fuel of Mg/Teflon/Viton(MTV).Mg-Gd alloy/Teflon/Viton(MGTV)could burn at lower ambient pressure than *** further investigate the reaction of MGTV in air,it was investigated via thermo gravity-differential scanning calorimetry(TG-DSC).Meanwhile,the morphologies and element distributions on the alloy surface during the reaction of MGTV in air were investigated via scanning electronic microscope-mapping-electronic differential ***,a similar experimental protocol on the Mg-Gd alloy particle during oxidation was also *** results showed that owning to a protective oxide shell,the onset oxidation temperature of Mg-Gd alloy is higher than ***,the onset oxidation temperature of the exceeded Mg-Gd alloy in MGTV is significantly lower than that of the exceeded Mg in *** was due to the existence of GdOF,which could significantly lower the oxidation temperature of the exceeded ***,a possible reaction mechanism was *** fascinating oxidation properties of Mg-Gd alloy suggested its promising applications in energetic materials.

关键词： Mg-Gd alloy Energetic materials Morphology EDS GdOF

Molecular insights into oil detachment from hydrophobic quartz surfaces in clay-hosted nanopores during steam-surfactant co-injection

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Petroleum Science 2024年第4期21卷 2457-2468页

作者： Ben-Jie-Ming Liu Xuan-Tong Lei Mohammadali Ahmadi Zhangxin Chen department of chemical and Petroleum engineering University of Calgary Eastern institute of Technology

Thermal recovery techniques for producing oil sands have substantial environmental impacts. Surfactants can efficiently improve thermal bitumen recovery and reduce the required amount of steam. Such a technique requires solid knowledge about the interaction mechanism between surfactants, bitumen,water, and rock at the nanoscale level. In particular, oil sands ores have extremely complex mineralogy as they contain many clay minerals(montmorillonite, illite, kaolinite). In this study, molecular dynamics simulation is carried out to elucidate the unclear mechanisms of clay minerals contributing to the bitumen recovery under a steam-anionic surfactant co-injection process. We found that the clay content significantly influenced an oil detachment process from hydrophobic quartz surfaces. Results reveal that the presence of montmorillonite, illite, and the siloxane surface of kaolinite in nanopores can enhance the oil detachment process from the hydrophobic surfaces because surfactant molecules have a stronger tendency to interact with bitumen and quartz. Conversely, the gibbsite surfaces of kaolinite curb the oil detachment process. Through interaction energy analysis, the siloxane surfaces of kaolinite result in the most straightforward oil detachment process. In addition, we found that the clay type presented in nanopores affected the wettability of the quartz surfaces. The quartz surfaces associated with the gibbsite surfaces of kaolinite show the strongest hydrophilicity. By comparing previous experimental findings with the results of molecular dynamics(MD) simulations, we observed consistent wetting characteristics. This alignment serves to validate the reliability of the simulation outcomes. The outcome of this paper makes up for the lack of knowledge of a surfactant-assisted bitumen recovery process and provides insights for further in-situ bitumen production engineering designs.

关键词： Clay minerals Bitumen Contact angle Interaction energy Surfactant Molecular dynamics

Multifunctional applications of gadolinium-doped cerium oxide(Ce1-xGdxO2-?) ceramics:A review

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Journal of Rare Earths 2024年第10期42卷 1817-1834页

作者： Subhadip Das Rakesh Bhaskar Kannan Badri Narayanan department of Ceramic engineering National Institute of Technology Rourkela School of chemical engineering Yeungnam University

Cerium oxide（CeO2）,or ceria,and its doped derivatives have been extensively studied for several decades and are well-known oxides valued for their unique structural properties and wide range of *** materials play a crucial role in sustainable development within *** modification through de fect e ngineering of the highly stable cubic fluorite phase enhances the versatility of this doped ceria to a new *** the numerous dopants of the CeO2matrix,ceria doped with gadolinium（Gd）,known as Ce1-xGdxO2-?（CGO）,is gaining popularity due to its *** introduction of defect-induced vacancies in the oxygen sublattice（V_o） and a change in the average valence of cerium(Ce3+/Ce4+) are primarily responsible for the improved performance compared to pristine *** materials are currently undergoing intensive research for potential use as electrolytes in intermediate-temperature solid oxide fuel cells（IT-SOFCs） and dense oxygen-permeable membranes（OPMs）.Additionally,they are being commercially utilized for power generation and oxygen *** materials are also attracting significant attention in various fields such as optics,photocatalysis,electrostriction,spintronics,gas sensing,electrocatalysis,and biomedical *** review paper aims to compile the latest contributions to CGO materials and comprehensively cover their various application *** crystal structure,defect equilibrium in Gd3+-doped CeO2,the origin of multifunctionality,and the prospects of these materials are also exclusively discussed.

关键词： Biomedicine Gadolinium-doped CeO2 Gas sensors Photo/electrocatalysts Rare earths Spintronics

Heterogeneous crystallization of Chlorzoxazone for modulating the physicochemical properties of crystals Author links open overlay panel

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Particuology 2024年第8期91卷 249-259页

作者： Dhayananth Natarajan Kalaichelvi Ponnusamy Radhakrishnan Thota Karunakaran department of chemical engineering National Institute of TechnologyTiruchirappalli620015TamilnaduIndia

The polymer on modulating the crystal's habit is an evolving research in pharmaceutical *** study demonstrates the crystal habit modification of chlorzoxazone(CHZ)by heterogeneous crystallization(HC)in the binary solvent acetonitrile-ethanol(A-E(1:1))in the presence of polyvinylpyrrolidine(PVP)at concentrations of 0.50,0.75,and 1.00 wt%.The A-E(1:1)and PVP in HC experiments influenced to change the shape of crystals from needle to plate shape and reduced the crystal size producing a lower aspect ratio(in the range of 1.5-2.3).In the presence of PVP,the CHZ size distribution is 65-78μm which tends to enhance the powder flow-ability of CHZ crystals and as the PVP concentration increases,the nucleation rate *** solubility of size-reduced CHZ crystals at different pH is found to be improved by 1.2-1.4 ***,HC is deemed effective in modifying the physicochemical attributes of CHZ.

关键词： Chlorzoxazone Polyvinylpyrrolidine Heterogeneous crystallization Crystal habit modification Aspect ratio

An application of a genetic algorithm in co-optimization of geological CO_(2)storage based on artificial neural networks

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Clean Energy 2024年第1期8卷 111-125页

作者： Pouya Vaziri Behnam Sedaee institute of Petroleum engineering Chemical Engineering DepartmentCollege of EngineeringUniversity of TehranTehranIran

Global warming,driven by human-induced disruptions to the natural carbon dioxide(CO_(2))cycle,is a pressing *** mitigate this,carbon capture and storage has emerged as a key strategy that enables the continued use of fossil fuels while transitioning to cleaner energy *** saline aquifers are of particular interest due to their substantial CO_(2)storage potential,often located near fossil fuel *** this study,a deep saline aquifer model with a saline water production well was constructed to develop the optimization *** to the time-consuming nature of each realization of the numerical simulation,we introduce a sur-rogate aquifer model derived from extracted *** novelty of our work lies in the pioneering of simultaneous optimization using machine learning within an integrated *** previous studies,which typically focused on single-parameter optimiza-tion,our research addresses this gap by performing multi-objective optimization for CO_(2)storage and breakthrough time in deep sa-line aquifers using a data-driven *** methodology encompasses preprocessing and feature selection,identifying eight pivotal *** metrics include root mean square error(RMSE),mean absolute percentage error(MAPE)and R^(2).In predicting CO_(2)storage values,RMSE,MAPE and R^(2)in test data were 2.07%,1.52%and 0.99,respectively,while in blind data,they were 2.5%,2.05%and *** the CO_(2)breakthrough time,RMSE,MAPE and R^(2)in the test data were 2.1%,1.77%and 0.93,while in the blind data they were 2.8%,2.23%and 0.92,*** addressing the substantial computational demands and time-consuming nature of coup-ling a numerical simulator with an optimization algorithm,we have adopted a strategy in which the trained artificial neural network is seamlessly integrated with a multi-objective genetic *** this framework,we conducted 5000 comprehensive experi-ments to rigorously validate the development of the Pareto f

关键词： carbon capture and storage deep saline aquifer artificial neural network multi-objective optimization genetic algorithm breakthrough time geological storage

Boosting the catalytic activity toward oxygen reduction via a heterostructure of porous iron oxide-decorated 2D NiO/NG nanosheets

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Journal of Energy Chemistry 2024年第6期93卷 669-681,I0016页

作者： Kakali Maiti Matthew T.Curnan Hyung Jun Kim Kyeounghak Kim Jeong Woo Han department of chemical engineering Pohang University of Science and Technology(POSTECH)PohangGyeongbuk 37673Republic of Korea department of Materials Science and engineering Research Institute of Advanced MaterialsSeoul National UniversitySeoul 08826Republic of Korea department of chemical engineering Clean-Energy Research InstituteHanyang UniversitySeoul 04763Republic of Korea CSIR-institute of Minerals and Materials Technology RRL CampusAcharya ViharBhubaneswarOdisha 751013India

As a noble metal substitute,two-dimensional(2D)hierarchical nano-frame structures have attracted great interest as candidate catalysts due to their remarkable advantages-high intrinsic activity,high electron mobility,and straightforward surface ***,they may replace Pt-based catalysts in oxygen reduction reaction(ORR)***,a simple method is developed to design hierarchical nano-frame structures assembled via 2D NiO and N-doped graphene(NG)*** procedure can yield nanostructures that satisfy the criteria correlated with improved electrocatalytic performance,such as large surface area,numerous undercoordinated atoms,and high defect ***,porous NG nanosheet architectures,featuring NiO nanosheets densely coordinated with accessible holey Fe_(2)O_(3) moieties,can enhance mesoporosity and balance *** improvements can facilitate charge transport and expose formerly inaccessible reaction sites,maximizing active site density *** functional theory(DFT)calculations reveal favored O_(2) adsorption and dissociation on Fe_(2)O_(3) hybrid structures when supported by 2D NiO and NG nanomaterials,given 2D materials donated charge to Fe_(2)O_(3) active *** systematic studies reveal that synergistic contributions are responsible for enriching the catalytic activity of Fe_(2)O_(3)@NiO/NG in alkaline media-encompassing internal voids and pores,unique hierarchical support structures,and concentrated N-dopant and bimetallic atomic ***,this work expands the toolbox for designing and synthesizing highly efficient 2D/2D shelled functional nanomaterials with transition metals,endeavoring to benefit energy conversion and related ORR applications.

关键词： N-doped graphene Holey Fe_(2)O_(3)nanocrystals NiO nanosheets High catalytic performance ORR

Towards high-performance and robust anion exchange membranes(AEMs)for water electrolysis:Super-acid-catalyzed synthesis of AEMs

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Journal of Energy Chemistry 2024年第6期93卷 478-510,I0012页

作者： Geun Woong Ryoo Sun Hwa Park Ki Chang Kwon Jong Hun Kang Ho Won Jang Min Sang Kwon department of Materials Science and engineering Research Institute of Advanced Materials(RIAM)Seoul National UniversitySeoul 08826Republic of Korea Interdisciplinary Materials Measurement institute Korea Research Institute of Standards and Science(KRISS)Daejeon 34113Republic of Korea department of chemical and Biological engineering and Institute of Chemical ProcessSeoul National UniversitySeoul 08826Republic of Korea department of Applied Measurement Science University of Science and TechnologyDaejeon 34113Republic of Korea

The increasing demand for hydrogen energy to address environmental issues and achieve carbon neutrality has elevated interest in green hydrogen production,which does not rely on fossil *** various hydrogen production technologies,anion exchange membrane water electrolyzer(AEMWE)has emerged as a next-generation technology known for its high hydrogen production efficiency and its ability to use non-metal ***,this technology faces significant challenges,particularly in terms of the membrane durability and low ionic *** address these challenges,research efforts have focused on developing membranes with a new backbone structure and anion exchange groups to enhance durability and ionic ***,the super-acid-catalyzed condensation(SACC)synthesis method stands out due to its user convenience,the ability to create high molecular weight(MW)polymers,and the use of oxygen-tolerant organic *** the synthesis of anion exchange membranes(AEMs)using the SACC method began in 2015,and despite growing interest in this synthesis approach,there remains a scarcity of review papers focusing on AEMs synthesized using the SACC *** review covers the basics of SACC synthesis,presents various polymers synthesized using this method,and summarizes the development of these polymers,particularly their building blocks including aryl,ketone,and anion exchange *** systematically describe the effects of changes in the molecular structure of each polymer component,conducted by various research groups,on the mechanical properties,conductivity,and operational stability of the *** review will provide insights into the development of AEMs with superior performance and operational stability suitable for water electrolysis applications.

关键词： Green hydrogen production Water electrolysis Anion exchange membrane water electrolyzer(AEMWE) Anion exchange membranes(AEMs) Super-acid-catalyzed condensation(SACC)

Stable operation of highly loaded pure Si-Fe anode under ambient pressure via carboxy silane-directed robust solid electrolyte interphase

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Journal of Energy Chemistry 2024年第7期94卷 568-576页

作者： Guntae Lim Dong Guk Kang Hyeon Gyu Lee Yen Hai Thi Tran Kihun An Junghyun Choi Kwang Chul Roh Do Youb Kim Seung-Wan Song department of chemical engineering&Applied Chemistry Chungnam National University Daejeon 34134Republic of Korea Energy Storage Materials Center Korea Institute of Ceramic Engineering&TechnologyJinju 52851Republic of Korea Advanced Energy Materials research Center Korea Research Institute of Chemical TechnologyDaejeon 34114Republic of Korea

Incorporation of higher content Si anode material beyond 5 wt% to Li-ion batteries(LIBs)is challenging,owing to large volume change,swelling,and solid electrolyte interphase(SEI)instability ***,a strategy of diacetoxydimethylsilane(DAMS)additive-directed SEI stabilization is proposed for a stable operation of Si-0.33FeSi_(2)(named as Si-Fe)anode without graphite,which provides siloxane inorganics and organics enrichment that compensate insufficient passivation of fluoroethylene carbonate(FEC)additive and reduce a dependence on *** stable cycling performance of highly loaded(3.5 mA h cm^(-2))pure Si-Fe anode is achieved with 2 wt%DAMS combined with 9 wt%FEC additives under ambient pressure,yielding high capacity 1270 mA h g^(-1)at 0.5 C and significantly improved capacity retention of 81% after 100 cycles,whereas short circuit and rapid capacity fade occur with FEC only ***-directed robust SEI layer dramatically suppresses swelling and particles crossover through separator,and therefore prevents short circuit,demonstrating a possible operation of pure Si or Sidominant anodes in the next-generation high-energy-density and safe LIBs.

关键词： High-energy Li-ion battery Pure Si-Fe anode without graphite Silane additive SEI layer Suppressed swelling