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Progress and challenge of functional single-atom catalysts for the catalytic oxidation of volatile organic compounds

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Chinese Chemical Letters 2024年第9期35卷 83-91页

作者： Zeyu Jiang Yadi Wang Changwei Chen Chi He Department of Environmental Science and Engineering Xi’an Jiaotong UniversityXi’an 710049China State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power EngineeringXi’an Jiaotong UniversityXi’an 710049China National Engineering Laboratory for VOCs Pollution Control Material&Technology University of Chinese Academy of SciencesBeijing 101408China

The catalytic oxidation of volatile organic compounds(VOCs)is of considerable significance for the sustainable development of the chemical industry;thus,considerable efforts have been devoted to the exploration of efficient catalysts for use in this *** this regard,the development and utilization of single-atom catalysts(SACs)in VOCs decomposition is a rapidly expanding research *** can be employed as potential catalysts for oxidizing VOC molecules due to their optimal utilization efficiency,unique atomic bonding structures,and unsaturated *** has been achieved,while the challenges surrounding precise regulation of the microstructures of SACs for improving their low-temperature efficiency,stability,and product selectivity under practical conditions are ***,elucidating structure-performance relationships and establishing intrinsic modulating mechanisms are urgently required for guiding researchers on how to synthesize effective and stable functional SACs ***,recent advances in the design and synthesis of functional SACs for application in the catalytic oxidation of VOCs are *** experimental and theoretical studies revealing higher efficiency,stability,and selectivity of as-prepared functional SACs are being ***,the future perspectives in terms of promising catalysts with multi-sized composite active sites and the illustration of intrinsic mechanism are *** rapid intelligent screening of applicable SACs and their industrial applications are also discussed.

关键词： Single-atom catalysts VOCs catalytic oxidation Hydrocarbon activation Oxygen species transformation Surface chemistry Intrinsic mechanism

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Alloy nanocrystals:Synthesis paradigms and implications

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Chinese Journal of Structural Chemistry 2023年第11期42卷 1-5页

作者： Zhaojun Liu Zerui Mu Chuanbo Gao State Key Laboratory of Multiphase Flow in Power Engineering Frontier Institute of Science and TechnologyXi'an Jiaotong UniversityXi'an710054China

*** Noble metal nanocrystals serve as exceptional catalysts across a wide spectrum of industrial processes[1].Moreover,there exists a substantial demand for noble metal catalysts in emerging clean-energy applications,such as water-splitting hydrogen production and fuel *** non-noble transition metals or main-group metals into noble metal nanocrystals can reduce the weight of noble metals in the catalysts,thus remarkably lowering the ***,alloy nanocrystals offer intriguing catalytic properties that surpass those of their monometallic counterparts,thanks to the charge transfer between the constituent components and the expansion or shrinkage of the lattice size[2].

关键词： alloy metals noble

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MIXED DISCONTINUOUS GALERKIN METHOD FOR QUASI-NEWTONIAN STOKES flowS

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Journal of Computational Mathematics 2024年第3期42卷 885-910页

作者： Yanxia Qian Fei Wang Wenjing Yan School of Mathematics and Statistics Xi'an Jiaotong UniversityXi'an 710049China School of Mathematics and Statistics&State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an 710049China

In this paper,we introduce and analyze an augmented mixed discontinuous Galerkin(MDG)method for a class of quasi-Newtonian Stokes *** the mixed formulation,the unknowns are strain rate,stress and velocity,which are approximated by a discontinuous piecewise polynomial triplet ■for k≥***,the discontinuous piecewise polynomial function spaces for the field of strain rate and the stress field are designed to be *** addition,the pressure is easily recovered through simple *** the benefit of the analysis,we enrich the MDG scheme with the constitutive equation relating the stress and the strain rate,so that the well-posedness of the augmented formulation is obtained by a nonlinear functional *** k≥0,we get the optimal convergence order for the stress in broken ■(div)-norm and velocity in L^(2)-***,the error estimates of the strain rate and the stress in-norm,and the pressure in L^(2)-norm are optimal under certain ***,several numerical examples are given to show the performance of the augmented MDG method and verify the theoretical *** evidence is provided to show that the orders of convergence are sharp.

关键词： Quasi-Newtonian fows Mixed discontinuous Galerkin method Symmetric strain rate Symmetric stress Optimal convergence orders

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Study on iterative algorithm of full plate cross-flow and counter-flow printed circuit heat exchanger for fluoride-salt-cooled high-temperature advanced reactor

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International Journal of Advanced Nuclear Reactor Design and Technology 2023年第2期5卷 86-96页

作者： Li, Xinze Zhang, Dalin Li, Xinyu Tian, Wenxi Qiu, Suizheng Su, G.H. State Key Laboratory of Multiphase Flow in Power Engineering Shaanxi Key Laboratory of Advanced Nuclear Energy and Technology School of Nuclear Science and Technology Xi'an Jiaotong University Xi'an710049 China

In the concept of Fluoride-Salt-cooled high-Temperature Advanced Reactor (FuSTAR), the Printed Circuit Heat Exchanger (PCHE) is mainly considered in its supercritical carbon dioxide (S–CO2) Brayton cycle secondary loop. The design of the PCHE is based on the property of working fluid provided by the Brayton cycle system design. Therefore, a fast and iterative PCHE design method is required. In this study, a mathematical model based on Picard's iterative method is proposed. The model can solve full plate temperature field with complex boundary conditions and initial values including cross-flow and counter-flow PCHE in parallel. Based on FuSTAR Brayton cycle design conditions, three sizes of cross-flow and counter-flow PCHEs are simulated respectively by the mathematical model. Compared with Computational Fluid Dynamics (CFD) models, a one and three-dimensional coupling model and a three-dimensional model, the mathematical model reduced the computing time from 1 to 10 h to 1–10 s, and the maximum temperature mean deviation is 18.6% for the smallest size case because of the edge effect and local disturbance, but 8.4% for other size. Taking secondary loop recuperator design as example, the computing speed and accuracy of the mathematical model can meet the design requirements of FuSTAR PCHE. © 2023 Xi'an Jiaotong University

关键词： Carbon dioxide

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Experimental study on the thermochemical reduction of supercritical CO2by guaiacol 8

Experimental study on the thermochemical reduction of superc...

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8th International Conference on Smart and Sustainable Technologies, SpliTech 2023

作者： Wei, Yimeng Kuanibieke, Jiadela Jin, Hui Xi'an Jiaotong University State Key Laboratory of Multiphase Flow in Power Engineering China

ISBN: (纸本)9789532901283

The continuous growth of CO2 emissions is one of the global problems facing humanity, and how to convert and exploit the stock of CO2 has become an urgent issue. Biomass as an activity of CO2 thermal reduction medium has become the focus of human attention in general. Supercritical CO2 (SCCO2) has the advantages of near-liquid density and high solubility, which can further strengthen the reduction process (T≥31.26, P≥72.9 atm). This paper described a SCCO2 reduction method of guaiacol on an intermittent Kettle Reactor to investigate the effects of reaction temperature (400-700), residence time (5-20 min) and reactant concentration (4 wt%-16wt%) on the three-phase products. The experimental results indicated that the carbon gasification efficiency (CE) and hydrogen gasification efficiency (HE) were 43.7% and 56.7%, respectively, when the carbon dioxide consumption reached 16.15 mol/kg. As the temperature increased, the consumption of carbon dioxide increased and the concentration of reactants increased with opposite results. © 2023 University of Split, FESB.

关键词： Carbon dioxide

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Extra contribution to the crystal stability of insensitive explosive TATB: The cooperativity of intermolecular interactions

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Defence Technology（防务技术） 2023年第7期25卷 88-98页

作者： Zhi-xiang Zhang Yi-tao Si Tao Yu Wei-peng Lai Yi-ding Ma Mao-chang Liu Ying-zhe Liu Bo-zhou Wang State Key Laboratory of Fluorine&Nitrogen Chemicals Xi'an Modern Chemistry Research InstituteXi'an710065PR China International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'an710049PR China

An in-depth analysis on the cooperativity of intermolecular interactions including hydrogen bonding andπ-π stacking in 1,3,5-triamino-2,4,6-trinitrobenzene(TATB) crystal was studied. Two quantities, cooperativity rate and energy, were defined to evaluate the nature and strength of cooperativity in a series of clusters diverging from 1D to 3D prototypes. The origin and mechanism of the cooperative effect were settled to demonstrate that the nature of cooperativity is determined by whether the non-covalent interactions compete or promote with each other, which is manifested by the changing trend of electron transfer. There exists obvious cooperative effect in intra-layer and inter-layer structures as they own the equivalent non-covalent interactions, while anti-cooperative effect is also observed if two interactions correlate with each other. On the whole, in the process of crystal formation, the apparent cooperativity is the check and balance of the two effects, which is capable to support a global interaction among all of molecules and contribute to the stabilization of system. Based on the results, one may get a new insight to understand the relationship between non-covalent interactions and low impact sensitivity.

关键词： Cooperativity Non-covalent interaction Low-sensitivity Explosives Charge transfer

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Multi-objective optimization research of open and closed air brayton cycle

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International Journal of Advanced Nuclear Reactor Design and Technology 2024年第1期6卷 21-31页

作者： Song, Meihui Qian, Yiran Leng, Yuyang Liu, Tao Yu, Lianyun Chen, Weixiong State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Shaanxi Xi'an710049 China Reactor Engineering Technology Research Institute China Institute of Atomic Energy Beijing102413 China

Air Brayton cycle obtains the significant advantages of high efficiency, compact structure, easy medium requirement and so on, which is one of the most suitable choices for the mobile nuclear power conversion system. In this paper, system-component combined design method is used to establish the open and closed air Brayton cycle of diverse configurations. Based on performance and compactness targets, the multi-objective optimization is carried out to find the optimal design by nondominated sorting genetic algorithm II and entropy weight method. According to the analysis, the closed intercooling reheating recuperating cycle is the configuration with the best comprehensive performance, with cycle efficiency of 33.58 %, power density of 175.39 kW m−3 and power mass ratio of 68.60 kW t−1. The open simple recuperating cycle is the configuration with the smallest volume and mass, with cycle efficiency of 20.01 %, system volume of 6.56 m3 and system mass of 19.98 t. The closed intercooling recuperating cycle is the most balanced configuration, with cycle efficiency of 31.33 %, volume of 9.06 m3 and system mass of 24.97 t. Based on the optimal results, off-design performance analysis of different environmental conditions is also carried out for the configurations above. © 2024 Xi'an Jiaotong University

关键词： Brayton cycle

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BiOI晶体缺陷工程提升光催化CO2到C2产物转化性能（英文）

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Science China Materials 2025年第5期68卷 1561-1569页

作者：黄富霞刘一菲王峰刘亚郭烈锦 International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong University

BiOI材料在光催化CO2还原领域展现出巨大潜力,但其较弱的CO2的活化能力与较差的载流子分离效率严重制约了光催化转化效率.本研究通过构建富含丰富晶体缺陷的BiOI基光催化剂有效地提高了其光催化性能.结合X射线衍射、拉曼、和高分辨透射... 详细信息

BiOI材料在光催化CO2还原领域展现出巨大潜力,但其较弱的CO2的活化能力与较差的载流子分离效率严重制约了光催化转化效率.本研究通过构建富含丰富晶体缺陷的BiOI基光催化剂有效地提高了其光催化性能.结合X射线衍射、拉曼、和高分辨透射电子显微镜表征,证实了BiOI-LD和BiOI-TC催化剂中分别存在晶格畸变和孪晶结构缺陷.紫外-可见光谱、微孔与化学吸附分析,以及光致发光光谱表征结果表明,晶体缺陷的引入显著增强了光催化剂的光吸收能力、CO2吸附能力、载流子传输效率及寿命.电子顺磁共振光谱进一步证实BiOI-TC中超氧自由基的生成量显著提升,表明晶体缺陷构筑有效增强了催化剂表面反应活性.因此, BiOI-TC催化剂实现了6.2μmol g-1h-1的CH3CH2OH生成速率,且选择性达到100%.通过原位FTIR研究识别了生成CH3CH2OH的关键中间体（*CO、*COCO、*CHO和*CH2）,并揭示BiOI-LD中C2H6的生成与*CH3中间体的形成密切相关.

关键词： photocatalysis CO2 reduction BiOI crystal defects CH3CH2OH C2H6

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Numerical and experimental study of the effects of wind turbine operation on sand-dust transport characteristics

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Science China(Physics,Mechanics & Astronomy) 2024年第4期67卷 97-113页

作者： Gaosheng Ma Hong Han Ye Li Deshun Li Yan Wang Ning Fu Quan Zheng Rennian Li School of Energy and Power Engineering Lanzhou University of TechnologyLanzhou 730050China Gansu Provincial Technology Center for Wind Turbines Lanzhou 730050China Key Laboratory of Fluid Machinery and Systems Lanzhou 730050China Multiple Function Towing Tank Laboratory State Key Laboratory of Ocean EngineeringSchool of Naval ArchitectureOcean and Civil EngineeringShanghai Jiao Tong UniversityShanghai 200240China

Given factors such as reduced land availability for onshore wind farms,wind resource enrichment levels,and costs,there is a growing trend of establishing wind farms in deserts,the Gobi,and other arid ***,the relationship between sanddust weather environments and wind turbine operations has garnered significant *** investigate the impact of wind turbine wakes on sand-dust transportation,this study employs large eddy simulation to model flow fields,coupled with an actuator line model for simulating rotating blades and a multiphase particle in cell model for simulating sand *** research focuses on a horizontal axis wind turbine model and examines the motion and spatiotemporal distribution characteristics of four typical sizes of sand particles in the turbine *** findings reveal that sand particles of varying sizes exhibit a spiral settling pattern after traversing the rotating plane of wind turbine blades,influenced by blade shedding vortex and *** particles tend to cluster in the peripheries of the vortex cores of low vorticity in the wind turbine *** rotation of wind turbines generates a wake vortex structure that causes a significant clustering of sand particles at the tip *** the wake distance increases,the particles that cluster at the turbine's tip gradually spread outward to approximately twice the rotor diameter and then begin to mix with the incoming flow *** turbines have a noticeable impact on sand-dust transportation,hindering their movement to a significant *** average sand-blocking rate exhibits a trend of initially increasing and then decreasing as the wake distance *** its peak,the sand-blocking rate reaches an impressive 67.55%.The presence of wind turbines induces the advanced settling of sand particles,resulting in a“triangular”distribution of the deposition within the ground projection area of the wake.

关键词： wind turbine particle transportation actuator line model dry deposition particle clustering

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Thermal physical applications of carbon dioxide:Recent progress,challenges and perspective

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Resources Chemicals and Materials 2023年第4期2卷 288-311页

作者： Pei Duan Kun Jiang Jinwen Shi Hui Jin State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityShaanxi710049PR China

Carbon dioxide(CO_(2))is one of the main factors contributing to the greenhouse *** dependence on fossil fuels has led to increasing levels of carbon dioxide in the atmosphere every *** it is far from enough to solve the climate problem by reducing the consumption of fossil fuels to cut down carbon dioxide *** recent years,a series of researches on Carbon Capture,Utilization and Storage(CCUS)have been carried out in various countries around the ***_(2) is a nontoxic,tasteless and stable gas at normal ***,when it reaches supercritical state after rising temperature and pressure,it has the characteristics of low viscosity,high diffusivity and high density,and is widely used in green,pollution-free and efficient development *** of these unique properties,supercritical carbon dioxide(sCO_(2))has attracted more and more attention from ***_(2) has been widely used in many aspects by virtue of its high solubility and easy *** from previous reviews which only introduced the application of sCO_(2) property,this paper introduces the current research status of the application of the thermodynamic property of carbon dioxide in extraction,dyeing,pharmaceutical,power generation,heat transfer and exploitation of unconventional oil and gas,and mainly analyzes each application in detail from the aspects of working mechanism and improving working ***,the research direction and problems needed to be solved for the application of CO_(2) thermal physics are proposed,which pave the way for other new applications.

关键词： Utilization of CO_(2) Supercritical state Thermal physical applications Extraction Heat transfer Oil and gas exploitation

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