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Theoretical Investigation on Structures and Second-order Nonlinear Optical Properties of (Thiophene) Manganese Tricarbonyl Cations

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Chinese Chemical Letters 2002年第1期13卷 45-48页

作者： Ying LIU Yu Hong geng yong Jun LIU DepartmentofChemistry，QufuNormalUniversity Qufu273165

The structures of several recently reported organometallic NLO chromophores, (thio-phene) manganese tricarbonyl cations, were fully optimized at the DFT non-local (GGA) level. The calculated results show that the fragments 2-SC4H3CH=CHC6H4-R in these organometallic chromophores are not planar with dihedral angles of 42.2~59.8 between two aromatic rings, which are different from those of uncoordinated counterparts. Based on the DFT geometry opti-mization, the second-order nonlinear optical polarizabilities were calculated by using RPA method. The calculated results indicate that incorporation of +3Mn(CO) unit with thiophene leads to a sub-stantial increase in the second-order polarizability (b).

关键词： Organometallic chromophore nonlinear optical properties DFT method ZINDO (thio-phene) manganese tricarbonyl cation.

Existence and Nonexistence of Global Positive Solutions for a Weakly Coupled P-Laplacian System

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Acta Mathematicae Applicatae Sinica 2013年第3期29卷 541-554页

作者： Xian-zhong ZENG Zhen-hai LI yong-geng GU School of Mathematics and Computing Science Hunan University of Science and Technology College of Science Guangxi University for Nationalities Department of Mathematics Hunan Normal University

In this paper, we deal with a weakly coupled evolution P-Laplacian system with inhomogeneous terms. We obtain a critical criterion concerning existence and nonexistence of its global positive solutions. Such a criterion is different from that of the weakly coupled evolution P-Laplacian system with homogeneous terms. Further, we demonstrate existence and nonexistence of its global positive solutions.

关键词： the evolution P-Laplacian system inhomogeneous terms blow-up global existence

Accounting greenhouse gas emissions of food consumption between urban and rural residents in China: a whole production perspective

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Frontiers in Energy 2022年第2期16卷 357-374页

作者： Yanfeng XU yong geng Ziyan GAO Shijiang XIAO Chenyi ZHANG Mufan ZHUANG China-UK Low Carbon College Shanghai Jiao Tong UniversityShanghai 200240China School of International and Public Affairs Shanghai Jiao Tong UniversityShanghai 200030China China Institute for Urban Governance Shanghai Jiao Tong UniversityShanghai 200030China School of Environmental Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China School of Management China University of Mining and TechnologyXuzhou 221116China

Food consumption is necessary for human *** a global scale,the greenhouse gas(GHG)emission related to food consumption accounts for 19%–29%of the total GHG *** has the largest population in the world,which is experiencing a rapid *** the background of urbanization and the adjustment of the diet structure of Chinese residents,it is critical to mitigate the overall GHG emission caused by food *** study aims to employ a single-region input-output(SRIO)model and a multi-regional input-output(MRIO)model to measure GHG emission generated from food consumption in China and compare the contributions of different industrial sectors,uncovering the differences between urban and rural residents and among different provinces(autonomous regions/municipalities),as well as identifying the driving forces of GHG emission from food consumption at a national *** results indicate that the total GHG emission generated from food consumption in China tripled from 157 Mt CO_(2)e in 2002 to 452 Mt CO_(2)e in *** fastest growing GHG emission is from the consumption of other processed food and meat *** GHG emissions from both urban and rural residents increased,the gap between them is ***,processing and manufacture of food,manufacture of chemical and transportation,storage and post services sectors are key sectors inducing food consumption related GHG *** a regional perspective,the top five emission provinces(autonomous regions/municipalities)include Shandong,Hubei,Guangdong,Zhejiang,and *** on such results,policy recommendations are proposed to mitigate the overall GHG emission from food consumption.

关键词： greenhouse gas(GHG)emission food consumption industry sectors mitigation measures urban governance

Uncovering CO_(2) emission drivers under regional industrial transfer in China’s Yangtze River Economic Belt: a multi-layer LMDI decomposition analysis

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Frontiers in Energy 2021年第2期15卷 292-307页

作者： Huijuan JIANG yong geng Xu TIAN Xi ZHANG Wei CHEN Ziyan GAO China-UK Low Carbon College Shanghai Jiao Tong UniversityShanghai 200240China School of International and Public Affairs Shanghai Jiao Tong UniversityShanghai 200240China China Institute for Urban Governance Shanghai Jiao Tong UniversityShanghai 200240China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092China School of Environmental Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China School of Geography and Environment Shandong Normal UniversityJinan 250358China

With the relocation of heavy industries moving from downstream region to upstream and midstream regions in the Yangtze River Economic Belt(YREB),it is critical to encourage coordinated low carbon development in different regions within the *** paper uncovers the evolution of CO_(2) emissions in different regions within the YREB for the period of 2000–*** decomposes regional CO_(2) emission changes using the temporal and cross-regional three-layer logarithmic mean Divisia index(LMDI)***,it decomposes industrial CO_(2) emission changes using the temporal two-layer LMDI *** research results show that economic growth is the major driver for regional CO_(2) emission *** mitigation drivers,such as energy intensity and energy structure,lead to a more decreased CO_(2) emission in the downstream region than in the upstream and midstream *** addition,it proposes several policy recommendations based upon the local realities,including improving energy efficiency,optimizing energy structure,promoting advanced technologies and equipment transfers,and coordinating the development in the upstream,midstream and downstream regions within the YREB.

关键词： CO_(2)emission multi-layer LMDI decomposition industrial transfer governance

A new path planning method for bevel-tip flexible needle insertion in 3D space with multiple targets and obstacles

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Control Theory and Technology 2022年第4期20卷 525-535页

作者： Zhen Tan Dan Zhang Hua-geng Liang Qing-guo Wang Wenjian cai Department of Automation Zhejiang University of TechnologyHangzhou 310023ZhejiangChina Urology Union HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430000HubeiChina Beijing Normal University at Zhuhai and also with the BNU-HKBU United International CollegeZhuhai 519087GuangdongChina Department of Electrical and Electronic Engineering Nanyang Technological UniversitySingapore 639798Singapore

In this paper,a new bevel-tip flexible needle path planning method based on the bee-foraging learning particle swarm optimization(BFL-PSO)algorithm and the needle retraction strategy in 3D space is proposed to improve the puncture accuracy and shorten the puncture distance in the case of multiple puncture ***,the movement of the needle after penetrating the human body is analyzed,and the objective function which includes puncture path error,puncture path length,and collision function is ***,the BFL-PSO algorithm and the needle retraction strategy are ***,medical images of the tissue to be punctured are obtained by medical imaging instruments,i.e.,magnetic resonance(MR),and the 3D model of the punctured environment is constructed by 3D Slicer to obtain the environment information on targets and obstacles,and the path of flexible needle is carried out based on the BFL-PSO optimization algorithm and the needle retraction *** simulation results show that,compared with other path planning methods in the related literature,the new path planning method proposed in this paper has higher path planning accuracy,shorter puncture distance,and good adaptability to multi-target path planning problems.

关键词： Path planning Multi-objective optimization Bee-foraging learning Particle swarm

Atomic-scale tuned interface of nickel-rich cathode for enhanced electrochemical performance in lithium-ion batteries

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Journal of Materials Science & Technology 2020年第19期54卷 77-86页

作者： yongqiang Liu Xin Wang Jiyu cai Xiaoxiao Han Dongsheng geng Jianlin Li Xiangbo Meng Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface ScienceSchool of Mathematics and PhysicsSchool of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijing100083China Department of Mechanical Engineering University of ArkansasFayettevilleAR72701United States Energy and Transportation Science Division Oak Ridge National LaboratoryOak RidgeTN37831United States

The Ni-rich layered LiNi_(0.6)Mn_(0.2)Co_(0.2)O_(2)(NMC622)is one promising cathode for lithium-ion batteries(LIBs),but suffers from poor cycling stability under high cutoff *** performance degradation was reflected as capacity fading and voltage drop,having their roots in instable interface of *** at improving interfacial stability,in this study,we deposited nanoscale ZrO_(2) coatings conformally over NMC622 cathodes using atomic layer deposition(ALD).We found that,under a high cutoff voltage(4.5 V),the ALD ZrO_(2) coatings evidently improved the performance of NMC622 cathode,showing better cyclability and higher sustainable *** addition,the ALD coatings dramatically boosted the rate capability of *** these compelling performance results are ascribed to the atomic-scale tunable ZrO_(2) coatings via ALD,which create stable interface and thereby inhibit unfavorable *** the study,we utilize a suite of characterization tools and various analyses to clarify the effects of ALD ZrO_(2) *** study will be helpful for improving the performance of nickel-rich cathodes via interfacial engineering using ALD.

关键词： Atomic layer deposition Lithium ion battery Surface coating

Advanced molecular-fingerprinting analysis of dissolved organic sulfur by electrospray ionization-Fourier transform ion cyclotron resonance mass spectrometry using optimal spray solvent

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Journal of Environmental Sciences 2020年第11期32卷 67-74页

作者： Dong Cao Ziyu Rao Fanglan geng Hongyun Niu Yali Shi Yaqi cai Yuehui Kang State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental ScienceChinese Academy of SciencesBeijing 100085China

Molecular level characterization of dissolved organic sulfur(DOS)by electrospray ionizationFourier transform ion cyclotron resonance mass spectrometry(ESI-FTICR MS)is necessary for further understanding of the role of DOS in the ***,ESI spray solvent,a key parameter for ion production during ESI process,was investigated for its effect on the molecular characterization of DOS by ESI-FTICR MS.100%MeOH as spray solvent was found for the first time to remarkably enhance the ionization efficiency of the majority of CHOS-molecules in NOM,which facilitated a total of 1473 CHOS-molecular formulas with one sulfur atom to be *** number of CHOS-molecular formulas obtained using 100%MeOH as spray solvent increased notably over 740 in comparison with those using 50%MeOH aqueous solution(731)or 50%ACN aqueous solution(653).Moreover,due to the enhancement of ionization efficiency of DOS during ESI processes,the tandem mass spectra of the NOM CHOS-molecules could be easily obtained using 100%MeOH as spray solvent,which were hardly obtained using 50%MeOH aqueous solution as spray *** results of the tandem mass spectra suggested the first discovery of organosulfates or sulfonic acids in Suwannee River NOM sample.A simple method based on 100%MeOH as ESI spray solvent for advanced molecular characterization of DOS by ESI-FTICR MS was proposed and applied,and the results revealed more molecular information of DOS in sea DOM samples.

关键词： Natural organic matter Fourier transform ion cyclotron resonance mass spectrometry Spray solvent Dissolved organic sulfur

Experimental and Modelling Study on Emission of Volatile Nitrogen Derived NO during Pressured Oxy-fuel Combustion under Wet Flue Gas Environment

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Journal of Thermal Science 2023年第5期32卷 1750-1757页

作者： ZAN Haifeng CHEN Xiaoping PAN Suyang geng Pengfei LIU Daoyin MA Jiliang LIANG cai Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education School of Energy&EnvironmentSoutheast UniversityNanjing 210096China

Pressurised oxy-fuel combustion(POFC)is a clean and efficient combustion technology with great *** to the recycling of flue gas,the concentration of steam in the flue gas is higher than that of conventional combustion,which enriches the free radical pool in the flue gas and thus affects the emission of gaseous ***,further research into the effect of high steam concentrations on NO_(x)emission mechanisms in POFC is *** this work,a fixed-bed reactor was used to conduct combustion experiments of volatiles and combined with chemical kinetic models to study the NO release characteristics for different pressures and steam concentrations in an O_(2)/CO_(2)atmosphere at 800℃/900℃*** results of the study indicated that the volatile nitrogen comes from the pyrolysis of part of pyrrole,pyridine,and all quaternary nitrogen in *** increase in temperature promoted the formation of NO during *** pressure affects the main reaction pathway for NO formation,promoting NO consumption by HCCO and C_(2)O groups while enhancing the overall NO *** promoted NO consumption by *** addition,steam increased the amount of H/OH groups during the reaction,which affected both NO formation and ***,from the overall effect,the steam still inhibits the emission of NO.

关键词： pressurized oxy-fuel combustion steam volatile nitrogen NO emission

DYNAMIC MODELING FOR AIRSHIP EQUIPPED WITH BALLONETS AND BALLAST

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Applied Mathematics and Mechanics(English Edition) 2005年第8期26卷 1072-1082页

作者： cai Zi-li（蔡自立） Qu Wei-dong（屈卫东） XI Yu-geng（席裕庚） Institute of Automation Shanghai Jiaotong University Shanghai 200030 P. R. China

Total dynamics of an airship is modeled. The body of an airship is taken as a submerged rigid body with neutral buoyancy, i. e. , buoyancy with value equal to that of gravity, and the coupled dynamics between the body with ballonets and ballast is considered. The total dynamics of the airship is firstly derived by Newton-Euler laws and Kirchhoff＇ s equations. Furthermore, by using Hamiltonian and Lagrangian semidirect product reduction theories, the dynamics is formulated as a Lie-Poisson system, or also an Euler-Poincare system. These two formulations can be exploited for the control design using energy-based methods for Hamiltonian or Lagrangian system.

关键词： airship dynamical modeling Kirchhoff' s equation semi-direct product reduction