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Kinetic and mechanism of the reaction between Cl and several mono-methyl branched alkanes

Journal of Environmental Sciences 2024年第1期135卷 474-482页

作者： Yan Chen Weigang Wang Junling li li Zhou Bo Shi Cici Fan Ke Wang Hao Zhang hong li Maofa ge State Key Laboratory for Structural Chemistry of Unstable and Stable Species Beijing National Laboratory for Molecular Sciences(BNLMS)CAS Research/Education Center for Excellence in Molecular SciencesInstitute of ChemistryChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Environmental Criteria and Risk Assessment Chinese Research Academy of Environmental SciencesBeijing 100012China National Engineering Research Center for Flue Gas Desulfurization Department of Environmental Science and EngineeringSichuan UniversityChengdu 610065China College of Chemistry and Materials Science Hebei Normal UniversityShijiazhuang 050024China

Branched alkanes are ubiquitous in the troposphere and play an important role in the chemical processes.In this work,the rate constants and products for the reaction of Cl atoms with 3-methylhexane and 2-methylheptane were measured at room temperature(298±0.2K)and atmospheric pressure using a conventional relative rate method.The rate constants of 3-methylhexane and 2-methylheptane in units of cm~3/(mol·sec)are(3.09±0.31)×10^(-10)and(3.67±0.40)×10^(-10),respectively.Furthermore,the corresponding atmospheric lifetime of the studied branched alkanes with Cl was 6.92-89.90 hours and 5.82-75.69 hours,respectively.The estimated atmospheric lifetimes indicated that the reaction with Cl atoms could be the most important atmospheric degradation pathway for 3-methylhexane and2-methylheptane.Primary gas-phase products of the reactions were identified and quantified,and particle-phase products were also obtained.The atmosphere oxidation mechanism of Cl atoms with 3-methylhexane and 2-methylheptane is proposed.The SOA yields of 3-methylhexane and 2-methylheptane from the reaction of Cl atoms were determined to be7.96%±0.89%and 13.35%±1.50%respectively.Overall,the results reveal that the primary loss process of branched alkanes is the reaction with Cl atoms,which impacts its degradation on a regional scale.

关键词： 3-Methylhexane 2-Methylheptane Chlorine atoms Kinetics Mechanism

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A Non-Parametric Scheme for Identifying Data Characteristic Based on Curve Similarity Matching

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IEEE/CAA Journal of Automatica Sinica 2024年第6期11卷 1424-1437页

作者： Quanbo ge Yang Cheng hong li Ziyi Ye Yi Zhu Gang Yao School of Automation Nanjing University of Information Science&TechnologyJiangsu Provincial University Key Laboratory of Big Data Analysis and Intelligent SystemsNanjing University of Information Science&Technologyand the Jiangsu Collaborative Innovation Center of Atmospheric Environment and Equipment Technology(CICAEET)Nanjing University of Information Science&TechnologyNanjing 210044China School of Department of Logistics Engineering Shanghai Maritime UniversityShanghai 201306China China Classification Society Nantong Office Nantong 226006China Chinese Flight Test Establishment Xi’an 710089China School of Mathematics Tsinghua UniversityBeijing 100084China School of Automation Nanjing University of Information Science&TechnologyNanjing 210044China Department of Logistics Engineering Shanghai Maritime UniversityShanghai 201306China IEEE

For accurately identifying the distribution charac-teristic of Gaussian-like noises in unmanned aerial vehicle(UAV)state estimation,this paper proposes a non-parametric scheme based on curve similarity matching.In the framework of the pro-posed scheme,a Parzen window(kernel density estimation,KDE)method on sliding window technology is applied for roughly esti-mating the sample probability density,a precise data probability density function(PDF)model is constructed with the least square method on K-fold cross validation,and the testing result based on evaluation method is obtained based on some data characteristic analyses of curve shape,abruptness and symmetry.Some com-parison simulations with classical methods and UAV flight exper-iment shows that the proposed scheme has higher recognition accuracy than classical methods for some kinds of Gaussian-like data,which provides better reference for the design of Kalman filter(KF)in complex water environment.

关键词： Curve similarity matching Gaussian-like noise non-parametric scheme parzen window.

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Multiplicity of solutions for the semilinear subelliptic Dirichlet problem

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Science China Mathematics 2024年第3期67卷 475-504页

作者： Hua Chen hong-ge Chen Jin-Ning li Xin liao School of Mathematics and Statistics Wuhan UniversityWuhan 430072China Wuhan Institute of Physics and Mathematics Innovation Academy for Precision Measurement Science and TechnologyChinese Academy of SciencesWuhan 430071China

In this paper,we study the semilinear subelliptic equation{−△Xu=f(x,u)+g(x,u)inΩ,u=0 on∂Ω,where△X=−∑m i=1 Xi∗Xi is the self-adjoint Hormander operator associated with the vector fields X=(X_(1),X_(2),...,X_(m))satisfying the Hormander's condition,f(x,u)∈C(Ω×R),g(x,u)is a Carathéodory function onΩ×R,andΩis an open bounded domain in R~n with smooth boundary.Combining the perturbation from the symmetry method with the approaches involving the eigenvalue estimate and the Morse index in estimating the minimax values,we obtain two kinds of existence results for multiple weak solutions to the problem above.Furthermore,we discuss the difference between the eigenvalue estimate approach and the Morse index approach in degenerate situations.Compared with the classical elliptic cases,both approaches here have their own strengths in the degenerate cases.This new phenomenon implies that the results in general degenerate cases would be quite different from the situations in classical elliptic cases.

关键词： degenerate elliptic equations Hormander operators perturbation method Morse index

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Constructing high coordination number of Ir-O-Ru bonds in IrRuO_(x)nanomeshes for highly stable acidic oxygen evolution reaction

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Nano Research 2024年第6期17卷 5073-5079页

作者： ge Yu Ruilong li Yida Zhang Xingen lin Gongming Wang Xun hong Center of Advanced Nanocatalysis(CAN) Department of Applied ChemistryUniversity of Science and Technology of ChinaHefei 230026China National Synchrotron Radiation Laboratory(NSRL) University of Science and Technology of ChinaHefei 230029China

IrRu bimetallic oxides are recognized as the promising acidic oxygen evolution reaction(OER)catalysts,but breaking the trade-off between their activity and stability is an unresolved question.Meanwhile,addressing the issues of mass transport obstruction of IrRu bimetallic oxides under high current remains a challenge for the development of proton exchange membrane water electrolysis(PEM-WE).Herein,we prepared an IrRuO_(x)nanomeshes(IrRuO_(x)NMs)with high coordination number(CN)of Ir-O-Ru bonds in a mixed molten salt with high solubility of the Ir/Ru precursor.X-ray absorption spectroscopy analysis revealed that the IrRuO_(x)NMs possess high coordination number of Ir-O-Ru bonds(CNIr-O-Ru=5.6)with a distance of 3.18Å.Moreover,the nanomesh structures of IrRuO_(x)NMs provided hierarchical channels to accelerate the transport of oxygen and water,thus further improving the electrochemical activity.Consequently,the IrRuO_(x)NMs as OER catalysts can simultaneously achieve high activity and stability with low overpotential of 196 mV to reach 10 mA·cm^(−2)and slightly increase by 70 mV over 650 h test.Differential electrochemical mass spectrometry tests suggest that the preferred OER mechanism for IrRuO_(x)NMs is the adsorbent evolution mechanism,which is beneficial for the robust structural stability.

关键词： oxygen evolution reaction IrRuO_(x) Ir-O-Ru bonds two-dimensional(2D)nanomesh proton exchange membrane device mass transport

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Optimized the vanadium electrolyte with sulfate-phosphoric mixed acids to enhance the stable operation at high-temperature

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Frontiers of Chemical Science and Engineering 2024年第2期18卷 13-26页

作者： ling ge Tao liu Yimin Zhang hong liu School of Resource and Environmental Engineering Wuhan University of Science and TechnologyWuhan 430081China State Environmental Protection Key Laboratory of Mineral Metallurgical Resources Utilization and Pollution Control Wuhan University of Science and TechnologyWuhan 430081China Hubei Collaborative Innovation Center for High Efficient Utilization of Vanadium Resources Wuhan University of Science and TechnologyWuhan 430081China Hubei Provincial Engineering Technology Research Center of High Efficient Cleaning Utilization for Shale Vanadium Resource Wuhan University of Science and TechnologyWuhan 430081China School of Resource and Environmental Engineering Wuhan University of TechnologyWuhan 430070China

Herein, the influence of the concentration design and comprehensive performance of the sulfate-phosphoric mixed acid system electrolyte is investigated to realize an electrolyte that maintains high energy density and stable operation at high temperatures. Static stability tests have shown that VOPO4 precipitation occurs only with vanadium(V) electrolyte. The concentration of vanadium ion of 2.0–2.2 mol·L^(–1), phosphoric acid of 0.10–0.15 mol·L^(–1), and sulfuric acid of 2.5–3.0 mol·L^(–1) are suitable for a vanadium redox flow battery in the temperature range from –20 to 50 ℃. The equations for predicting the viscosity and conductivity of electrolytes are obtained by the response surface method. The optimized electrolyte overcomes precipitation generation. It has 2.8 times higher energy density than the non-phosphate electrolyte, and a coulomb efficiency of 94.0% at 50 ℃. The sulfate-phosphoric mixed acid system electrolyte promotes the electrode reaction process, increases the current density, and reduces the resistance. This work systematically optimizes the concentrations of composition of positive and negative vanadium electrolytes with mixed sulfate-phosphoric acid. It provides a basis for the different valence states and comprehensive properties of sulfate-phosphoric mixed acid system vanadium electrolytes under extreme environments, guiding engineering applications.

关键词： all vanadium redox flow battery mixed-acid vanadium electrolyte concentration optimization response surface methodology high-temperature stability

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MULTIRATE TIME ITERATIVE SCHEME WITH MULTIPHYSICS FINITE ELEMENT METHOD FOR A NONliNEAR POROELASTICITY

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Journal of Computational Mathematics 2024年第2期42卷 597-616页

作者： Zhihao ge Hairun li Tingting li School of Mathematics and Statistics Henan UniversityKaifengHenan 475004China

In this paper,a multirate time iterative scheme with multiphysics finite element method is proposed and analyzed for the nonlinear poroelasticity model.The original problem is reformulated into a generalized nonlinear Stokes problem coupled with a diffusion problem of a pseudo pressure field by a new multiphysics approach.A multiphysics finite element method is adopted for the spatial discretization,and the generalized nonlinear Stokes problem is solved in a coarse time step and the diffusion problem is solved in a finer time step.The proposed algorithm is a decoupled algorithm,which is easily implemented in computation and reduces greatly computation cost.The stability analysis and the convergence analysis for the multirate iterative scheme with multiphysics finite element method are given.Some numerical tests are shown to demonstrate and validate the analysis results.

关键词： Nonlinear poroelasticity model Multiphysics finite element method Multirate iterative scheme

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Comparison of tailpipe carbonyls and volatile organic compounds emissions from in-use gasoline/CNG bi-fuel vehicles

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Journal of Environmental Sciences 2024年第1期135卷 619-629页

作者： Jiachen li Yunshan ge Xin Wang Mengzhu Zhang Haohao Wang School of Mechanical Engineering Beijing Institute of TechnologyBeijing 100081China

Ground-level ozone contamination has been globally an urban air quality issue,particularly for China,which has recently made significant progress in purifying its sky.Unregulated exhaust emissions from motor vehicles,predominantly carbonyls and volatile organic compounds(VOCs),are among the leading contributors to ozone formation.In this chassislevel study,the unregulated emissions from five China-5 certified gasoline/CNG bi-fuel taxis,along with their ozone forming potential(OFP),were evaluated.It is found that carbonyls and VOCs were mainly emitted during the starting phase no matter the engine was cold or hot.Compared to gasoline,CNG fueling reduced VOCs emissions on a large scale,especially in the starting phase,but had elevated carbonyls.On a fleet average,CNG fueling derived 15%and 46%less OFP than gasoline in cold-and hot-start tests,respectively.VOCs contributed to over 90%of the total OFP of the exhaust.In terms of alleviating ground-level ozone contamination,CNG is a feasible alternative to gasoline on light-duty vehicles.

关键词： CNG Gasoline Carbonyls VOCs OFP

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Alloy as advanced catalysts for electrocatalysis:From materials design to applications

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Chinese Chemical Letters 2024年第6期35卷 104-122页

作者： Pingfan Zhang Shihuan hong Ning Song Zhonghui Han Fei ge Gang Dai hongjun Dong Chunmei li Advanced Chemical Engineering Laboratory of Green Materials and Energy of Jiangsu Province Institute of Green Chemistry and Chemical TechnologySchool of Chemistry and Chemical EngineeringJiangsu UniversityZhenjiang 212013China Daqo Group Co.Ltd. Zhenjiang 212221China Key Laboratory of Groundwater Resources and Environment Ministry of EducationJilin Provincial Key Laboratory of Water Resource and EnvironmentCollege of New Energy and EnvironmentJilin UniversityChangchun 130021China

With the deep integration of electrochemical research with energy,environment,catalysis,and other fields,more and more new electrochemical catalytic reactions have entered our research field.Alloy catalysts have recently emerged as a new type of nanomaterial due to the rapid development of kinetic controlled synthesis technology.These materials offer several advantages over monometallic catalysts,including larger element combinations,complex geometries,bifunctional sites,and reduced use of precious metals.This paper provides a review of alloy electrocatalysts that are designed and prepared specifically for electrocatalytic applications.The use of alloy materials in electrocatalyst design is also discussed,highlighting their widespread application in this field.First,various synthesis methods and synthesis mechanisms are systematically summarized.Following that,by correlating the properties of materials with the structure,relevant strategies toward advanced alloy electrocatalysts including composition regulation,size,morphology,surface engineering,defect engineering,interface engineering and strain engineering are classified.In addition,the important electrocatalytic applications and mechanisms of alloy electrocatalysts are described and summarized.Finally,the current challenges and prospects regarding the development of alloy nanomaterials are proposed.This review serves as a springboard from a fundamental understanding of alloy structural dynamics to design and various applications of electrocatalysts,particularly in energy and environmental sustainability.

关键词： Alloy Nanomaterial Electrocatalyst Materials design Electrocatalysis

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STABLE RECOVERY OF SPARSELY CORRUPTED SIGNALS THROUGH JUSTICE PURSUIT DE-NOISING

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Journal of Computational Mathematics 2024年第1期42卷 271-288页

作者： Ningning li Wengu Chen Huanmin ge Institute of Applied Physics and Computational Mathematics Beijing 100088China Beijing Sport University Beijing 100084China

This paper considers a corrupted compressed sensing problem and is devoted to recover signals that are approximately sparse in some general dictionary but corrupted by a combination of interference having a sparse representation in a second general dictionary and measurement noise.We provide new restricted isometry property(RIP)analysis to achieve stable recovery of sparsely corrupted signals through Justice Pursuit De-Noising(JPDN)with an additional parameter.Our main tool is to adapt a crucial sparse decomposition technique to the analysis of the Justice Pursuit method.The proposed RIP condition improves the existing representative results.Numerical simulations are provided to verify the reliability of the JPDN model.

关键词： Justice Pursuit De-Noising Restricted isometry property Corrupted compressed sensing Signal recovery

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An Analytical Method for Delineating Feasible Region for PV Integration Capacities in Net-zero Distribution Systems Considering Battery Energy Storage System Flexibility

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Journal of Modern Power Systems and Clean Energy 2024年第2期12卷 475-487页

作者： Shida Zhang Shaoyun ge hong liu Guocheng Hou Chengshan Wang School of Electrical and Information Engineering Tianjin UniversityTianjin 300072China

To provide guidance for photovoltaic(PV)system integration in net-zero distribution systems(DSs),this paper proposes an analytical method for delineating the feasible region for PV integration capacities(PVICs),where the impact of battery energy storage system(BESS)flexibility is considered.First,we introduce distributionally robust chance constraints on network security and energy/carbon net-zero requirements,which form the upper and lower bounds of the feasible region.Then,the formulation and solution of the feasible region is proposed.The resulting analytical expression is a set of linear inequalities,illustrating that the feasible region is a polyhedron in a high-dimensional space.A procedure is designed to verify and adjust the feasible region,ensuring that it satisfies network loss constraints under alternating current(AC)power flow.Case studies on the 4-bus system,the IEEE 33-bus system,and the IEEE 123-bus system verify the effectiveness of the proposed method.It is demonstrated that the proposed method fully captures the spatio-temporal coupling relationship among PVs,loads,and BESSs,while also quantifying the impact of this relationship on the boundaries of the feasible region.

关键词： Net-zero distribution system photovoltaic(PV)integration capacity feasible region battery energy storage system(BESS).

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