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Discrete Boltzmann model with split collision for nonequilibrium reactive flows

Communications in Theoretical Physics 2024年第8期76卷 164-186页

作者： Chuandong Lin Kai h luo h.ilin Lai Sino-French.institute of Nuclear Engineering and Technology Sun Yat-sen UniversityZhuhai 519082China Key Laboratory for Thermal Science and Power Engineering of Ministry of Education Department of Energy and Power EngineeringTsinghua UniversityBeijing 100084China Department of Mechanical Engineering National University of Singapore10 Kent Ridge Crescent119260Singapore Department of Mechanical Engineering University College LondonTorrington PlaceLondon WC1E 7JEUnited Kingdom School of Mathematics and Statistics Key Laboratory of Analytical Mathematics and Applications(Ministry of Education)Fujian Key Laboratory of Analytical Mathematics and Applications(FJKLAMA)Center for Applied Mathematics of Fujian Province(FJNU)Fujian Normal University350117 FuzhouChina

A multi-relaxation-time discrete Boltzmann model(DBM) with split collision is proposed for both subsonic and supersonic compressible reacting flows, where chemical reactions take place among various components. The physical model is based on a unified set of discrete Boltzmann equations that describes the evolution of each chemical species with adjustable acceleration, specific heat ratio, and Prandtl number. On the right-hand side of discrete Boltzmann equations, the collision,force, and reaction terms denote the change rates of distribution functions due to self-and crosscollisions, external forces, and chemical reactions, respectively. The source terms can be calculated in three ways, among which the matrix inversion method possesses the highest physical accuracy and computational efficiency. Through Chapman-Enskog analysis, it is proved that the DBM is consistent with the reactive Navier-Stokes equations, Fick's law and the Stefan-Maxwell diffusion equation in the hydrodynamic limit. Compared with the one-step-relaxation model, the split collision model offers a detailed and precise description of hydrodynamic, thermodynamic, and chemical nonequilibrium effects. Finally, the model is validated by six benchmarks, including multicomponent diffusion, mixture in the force field, Kelvin-helmholtz instability, flame at constant pressure, opposing chemical reaction, and steady detonation.

关键词： discrete Boltzmann method reactive flow detonation nonequilibrium effect

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Catalyst design and structure control for photocatalytic refineries of cellulosic biomass to fuels and chemicals

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Journal of Energy Chemistry 2024年第7期94卷 102-127页

作者： Lulu Sun Nengchao luo State Key Laboratory of Catalysis Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina

Lignocellulosic biomass is the largest renewable hydrocarbon resource on *** cellulose,one of the major components of lignocellulose,powered by solar energy is a promising way of providing lowcarbon-footprint energy chemicals such as h_(2),hCOOh,CO,and transportation ***-of-the-art biorefineries target the full use of biomass feedstocks as they have a maximum collection radius of 75-100 km,requesting efficient and selective photocatalysts that significantly influence the outcome of photocatalytic ***-performed photocatalysts can harvest a broad solar spectrum and are active in breaking the chemical bonds of cellulose,decreasing the capital investments of ***,photocatalysts should control the selectivity of cellulose conversion,originating target products to level down separation *** separation in photocatalysts and interfacial charge transfer between photocatalysts and cellulose affect the activity and selectivity of cellulose refineries to h2 and carbonaceous *** account for the challenges above,this review summarizes photocatalysts for the refineries of cellulose and downstream platform molecules based on the types of products,with the structure features of different types of photocatalysts discussed in relation to the targets of either improving the activity or product *** addition,this review also sheds light on the methods for designing and regulating photocatalyst structures to facilitate photocatalytic refineries of cellulose and platform molecules,meanwhile summarizing proposed future research challenges and opportunities for designing efficient photocatalysts.

关键词： Photocatalysts Biorefineries Cellulose Fuels hydrogen

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Luminescence regulation of Sb^(3+)in 0D hybrid metal halides by hydrogen bond network for optical anti-counterfeiting

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Opto-Electronic Advances 2024年第3期7卷 15-25页

作者： Deh.i Liang Saif M.h.Qaid Xin Yang Shuangyi Zhao Binbin luo Wensi Cai Qingkai Qian Zhigang Zang Key Laboratory of Optoelectronic Technology&Systems(Ministry of Education) Chongqing UniversityChongqing 400044China Department of Physics&Astronomy College of SciencesKing Saud UniversityP.O.Box 2455Riyadh 11451Saudi Arabia Department of Chemistry and Chemical Engineering Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong ProvinceShantou UniversityShantou 515063China Department of Oil Army Logistics Academy of PLAChongqing 401311China

The Sb^(3+) doping strategy has been proven to be an effective way to regulate the band gap and improve the photophysical properties of organic-inorganic hybrid metal halides(OihMhs).however,the emission of Sb^(3+) ions in OihMhs is primarily confined to the low energy region,resulting in yellow or red *** date,there are few reports about green emission of Sb^(3+)-doped ***,we present a novel approach for regulating the luminescence of Sb^(3+) ions in 0D C_(10)h_(2)_(2)N_(6)inCl_(7)·h_(2)O via hydrogen bond network,in which water molecules act as agents for hydrogen ***^(3+)-doped C_(10)h_(2)2N_(6)inCl_(7)·h_(2)O shows a broadband green emission peaking at 540 nm and a high photoluminescence quantum yield(PLQY)of 80%.it is found that the intense green emission stems from the radiative recombination of the self-trapped excitons(STEs).Upon removal of water molecules with heat,C_(10)h_(2)_(2)N_(6)in_(1-x)Sb_(x)Cl_(7) generates yellow emis-sion,attributed to the breaking of the hydrogen bond network and large structural distortions of excited *** water molecules are adsorbed by C_(10)h_(2)_(2)N_(6)in_(1-x)Sb_(x)Cl_(7),it can subsequently emit green *** water-induced reversible emission switching is successfully used for optical security and information *** findings expand the under-standing of how the local coordination structure influences the photophysical mechanism in Sb^(3+)-doped metal halides and provide a novel method to control the STEs emission.

关键词： indium-based halides Sb^(3+)doping hydrogen bonding network optical anti-counterfeiting

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Alcohol solvent effect on the self-assembly behaviors of lignin oligomers

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Green Energy & Environment 2024年第4期9卷 597-603页

作者： Ya Ma Zhicheng Jiang Yafei luo Xingjie Guo Xudong Liu Yiping luo Bi Shi College of Biomass Science and Engineering Sichuan UniversityChengdu610065China National Engineering Research Center of Clean Technology in Leather industry Sichuan UniversityChengdu610065China College of Pharmacy(international Academy of Targeted Therapeutics and innovation) Chongqing University of Arts and SciencesChongqing402160China State Key Laboratory of Utilization of Woody Oil Resource Hunan Academy of ForestryChangsha410004China CAS Key Laboratory of Environmental and Applied Microbiology Environmental Microbiology Key Laboratory of Sichuan ProvinceChengdu Institute of BiologyChinese Academy of SciencesChengdu610041China

The interactions between lignin oligomers and solvents determine the behaviors of lignin oligomers self-assembling into uniform lignin nanoparticles(LNPs).herein,several alcohol solvents,which readily interact with the lignin oligomers,were adopted to study th.ir effects during solvent shifting process for LNPs’*** lignin oligomers with widely distributed molecular weight and abundant guaiacyl units were extracted from wood waste(mainly consists of pine wood),exerting outstanding self-assembly *** and spherical LNPs were generated in h_(2)O-n-propanol cosolvent,whereas irregular LNPs were obtained in h_(2)O-methanol *** unsatisfactory self-assembly performance of the lignin oligomers in h_(2)O-methanol cosolvent could be attributed to two *** one hand,for the initial dissolution state,the distinguishing hansen solubility parameter and polarity between methanol solvent and lignin oligomers resulted in the poor dispersion of the lignin *** the other hand,strong hydrogen bonds between methanol solvent and lignin oligomers during solvent shifting process,hindered the interactions among the lignin oligomers for self-assembly.

关键词： Lignin oligomers Alcohol solvent Self-assembly LNPs Solvent effects

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homoclinic Solutions for a Class of Perturbed Fractional hamiltonian Systems with Subquadratic Conditions

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Acta Mathematica Sinica,English Series 2024年第5期40卷 1177-1196页

作者： Ying luo Fei GUO Yan LiU School of Mathematics Tianjin UniversityTianjin 300354P.R.China Tianjin Key Laboratory of Brain-inspired intelligence Technology Tianjin300354P.R.China

in this paper,we consider the following perturbed fractional hamiltonian systems{tD_(∞)^(α)(_(-∞)D_(t)^(α)u(t))+L(t)u(t)=■_(u)W(t,u(t))+■(u)G(t,u(t)),t∈R,u∈h^(α)(R,R^(N)),whereα∈(1/2,1],L∈C(R,R^(N×N))is symmetric and not necessarily required to be positive definite,W∈C1(R×R^(N,R))is locally subquadratic and locally even near the origin,and perturbed term G∈C1(R×R^(N,R))maybe has no parity in *** the perturbed method improved by the authors,a sequence of nontrivial homo clinic solutions is obtained,which generalizes previous results.

关键词： Perturbed fractional hamiltonian systems subquadratic condition perturbed method homoclinic solutions multiplicity

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Recent advances in transition-metal catalyzed nitrene transfer reactions with carbamates

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Chinese Chemical Letters 2024年第3期35卷 76-86页

作者： Yanshu luo Xinyu Zhang Yuanzhi Xia College of Chemistry and Materials Engineering Wenzhou UniversityWenzhou 325035China

Nitrene transfer reactions are powerful tools in synthetic organic *** recent years,transitionmetal catalyzed nitrene transfer reactions with carbamates as the nitrene precursors have been widely *** species undergoes facile C-h amination,aziridination,and bifunctionalization of alkenes under the catalysis of different transition metals including Rh,Fe,Ru and others,enabling the efficient construction of various nitrogen-containing *** this review,the recent developments in nitrene transfer reactions with carbamates via N-O bond cleavage were introduced based on different types of reaction,and the key mechanistic information and synthetic applications of the methodologies were discussed.

关键词： Transition-metal catalysis Nitrene transfer Carbamate C—h amination Aziridination Bifunctionalization

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Elevational patterns of warming effects on plant community and topsoil properties: focus on subalpine meadows ecosystem

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Journal of Mountain Science 2024年第1期21卷 146-159页

作者： hAO Aihua luo Zhengming ChEN Xiaojiang Department of Geography Xinzhou Normal UniversityXinzhou 034000China Department of Biological Sciences Xinzhou Normal UniversityXinzhou 034000China

Climate warming profoundly affects plant biodiversity, community productivity, and soil properties in alpine and subalpine grassland ecosystems. however, these effects are poorly understood across elevational gradients in subalpine meadow ecosystems. To reveal the elevational patterns of warming effects on plant biodiversity, community structure, productivity, and soil properties, we conducted a warming experiment using open-top chambers from August 2019 to August 2022 at high(2764 m a. s. l.), medium(2631 m a. s. l.), and low(2544 m a. s. l.) elevational gradients on a subalpine meadow slope of Mount Wutai, Northern China. Our results showed that three years of warming significantly increased topsoil temperature but significantly decreased topsoil moisture at all elevations(Phe percentage of increasing temperature and decreasing moisture both gradually raised with elevation lifting. Warming-induced decreasing proportions of soil organic carbon(SOC, by 19.24%), and total nitrogen(TN, by 24.56%) were the greatest at high elevational gradients. Experimental warming did not affect topsoil C: N, p h, NO_(3)^(-)-N, or Nh_(4)^(+)-N at the three elevational gradients. Warming significantly increased species richness(Phannon-Weiner index(Pional gradients but significantly decreased belowground biomass(Ph of 0–10 cm at three elevational gradients. Warming caused significant increases in the aboveground biomass in the three elevational plots. Warming significantly increased the aboveground biomass of graminoids in medium(by 92.47%) and low(by 98.25%) elevational gradients, that of sedges in high(by 72.44%) and medium(by 57.16%) elevational plots, and that of forbs in high(by 75.88%), medium(by 34.38%), and low(by 74.95%) elevational plots. Species richness had significant linear correlations with SOC, TN, and C: N(Pignificant nonlinear responses to soil temperature and soil moisture in the warmed treatm

关键词： Warming effect Plant diversity pattern Community structure change Elevation gradient Alpine meadow ecosystem Mount Wutai

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Characteristics and Genesis of Acid Drainage Contamination from a Rock Tunneling Project Site

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Journal of Earth Science 2024年第1期35卷 190-200页

作者： Yanyun Li Zejiao luo Shihua Qi hubei Key Laboratory of Yangtze River Basin Environmental Aquatic Science School of Environmental StudiesChina University of GeosciencesWuhan 430078China State Key Laboratory of Biogeology and Environmental Geology China University of GeosciencesWuhan 430078China

While acid mine drainage(AMD)issues have become a topic of global concern,few studies have focused on acid drainage problems of non-mining *** conducted field research and a series of laboratory experiments to investigate the characteristics,release processes and formation of acid drainage *** rock samples and adjacent surface water,groundwater,soil and sediment samples were collected at a railway tunnel construction site in central China,and various parameters,such as the p h,mineral ion concentrations,and heavy metal concentrations,were *** on the measured concentrations,surface water and sediments were seriously contaminated by acids,sulfate salts and heavy *** in surface water showed a decreasing tendency as the distance from the spoils increased,while that in sediments showed a greater influence of coprecipitation and adsorption processes of heavy metal *** eluviation experiments of three rock samples indicated that R2(silty fine sandstone)was the most likely major acid drainage *** ferrooxidans was cultured and isolated from contaminated water to study the oxidation conditions during the release *** significant release of acid drainage when air and bacteria were both.in the culture container suggested that oxygen and bacteria were necessary to produce acid drainage from spoils.

关键词： acid mine drainage heavy metals leaching oxidation

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Photoinduced superlubricity on TiO_(2) surfaces

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Friction 2024年第3期12卷 428-438页

作者： Ke hAN Liran MA Yu TiAN Jianbin luo State Key Laboratory of Tribology in Advanced Equipment Tsinghua UniversityBeijing 100084China Received:16 September 2022/Revised:28 October 2022/Accepted:27 December 2022The author(s)2022.

Superlubricity control is of great interest in both.industry and scientific research,and several methods have been proposed to achieve this *** this work,ultraviolet(UV)light was introduced into titanium dioxide(TiO_(2))and silicon nitride(Si_(3)N_(4))tribosystems to accomplish photoinduced *** friction coefficients(COFs)between Si_(3)N_(4) balls and TiO_(2) plates in the mixtures of sulfuric acid(h^(2)SO_(4))solution and glycerol solution were obviously reduced,and the system entered the superlubricity region(COFillumination at a speed of 56 mm/***,the COF was much larger without UV treatment than that with UV *** formation of silica(SiO_(2))layers on the surfaces of Si_(3)N_(4) balls and the elastohydrodynamic effects were determined to be fundamental to the low friction in this experiment,and the enhancement of the combination between the TiO_(2) surface and the hydroxy group of glycerol by UV illumination was the key to the photoinduced superlubricity in this *** findings showed one method for achieving superlubricity by introducing a light field that could be further applied to special working conditions.

关键词： light control friction superlubricity glycerol titanium dioxide(TiO_(2))

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Elucidating the structure-activity relationship of Cu-Ag bimetallic catalysts for electrochemical CO_(2) reduction

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Journal of Energy Chemistry 2024年第6期93卷 345-351,I0009页

作者： Qining huang Lili Wan Qingxuan Ren Jingshan luo institute of Photoelectronic Thin Film Devices and Technology State Key Laboratory of Photovoltaic Materials and CellsKey Laboratory of Photoelectronic Thin Film Devices and Technology of TianjinMinistry of Education Engineering Research Center of Thin Film Photoelectronic TechnologyNankai UniversityTianjin 300350China Frontiers Science Center for New Organic Matter Nankai UniversityTianjin 300071China h.ihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China

Developing bimetallic catalysts is an effective strategy for enhancing the activity and selectivity of electrochemical CO_(2) reduction reactions,where understanding the structure-activity relationship is essential for catalyst ***,we prepared two Cu-Ag bimetallic catalysts with Ag nanoparticles attached to the top or the bottom of Cu *** tested in a flow cell,the Cu-Ag catalyst with Ag nanoparticles on the bottom achieved a faradaic efficiency of 54%for ethylene production,much higher than the catalyst with Ag nanoparticles on the *** catalysts were further studied in the h-cell and zero-gap MEA *** was found that placing the two metals in the intensified reaction zone is crucial to triggering the tandem reaction of bimetallic *** work elucidates the structure-activity relationship of bimetallic catalysts for CO_(2) reduction and demonstrates the importance of considering both catalyst structures and cell characteristics to achieve high activity and selectivity.

关键词： Electrochemical CO_(2)reduction Bimetallic catalyst Cu-Ag Structure-activity relationship

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