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Molecular dynamics simulations for the growth of CH_4-CO_2 mixed hydrate

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Journal of Energy Chemistry 2014年第6期23卷 747-754页

作者： Lizhi Yi Deqing Liang xuebing zhou Dongliang Li Key Laboratory of Renewable Energy and Gas Hydrate Guangzhou Institute of Energy Conversion Chinese Academy of Sciences Guangzhou Center for Gas Hydrate Research Guangzhou Institute of Energy Conversion Chinese Academy of Sciences University of Chinese Academy of Sciences

Molecular dynamics simulations are performed to study the growth mechanism of CH4-CO2 mixed hydrate in xco2 = 75%, xco2 = 50%, and zco2 = 25% systems at T = 250 K, 255 K and 260 K, respectively. Our simulation results show that the growth rate of CH4-CO2 mixed hydrate increases as the CO2 concentration in the initial solution phase increases and the temperature decreases. Via hydrate formation, the composition of CO2 in hydrate phase is higher than that in initial solution phase and the encaging capacity of CO2 in hydrates increases with the decrease in temperature. By analysis of the cage occupancy ratio of CH4 molecules and CO2 molecules in large cages to small cages, we find that CO2 molecules are preferably encaged into the large cages of the hydrate crystal as compared with CH4 molecules. Interestingly, CH4 molecules and CO2 molecules frequently replace with each other in some particular cage sites adjacent to hydrate/solution interface during the crystal growth process. These two species of guest molecules eventually act to stabilize the newly formed hydrates, with CO2 molecules occupying large cages and CH4 molecules occupying small cages in hydrate.

关键词： molecular dynamics simulations methane-carbon dioxide mixed hydrate growth clathrate

基于新工科和美育教育视域的家具设计与工程专业实践教学模式探索——以西南林业大学为例

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创新创业理论研究与实践 2024年第5期7卷 20-22,41页

作者：苏艳炜毛世华周雪冰沈华杰强明礼西南林业大学云南昆明650224 福建理工大学福建福州350118

家具设计与工程专业属多学科交叉专业,兼具科学与艺术的双重属性,契合国家新工科和美育教育的要求。实践教学是人才培养的重要环节,该文以西南林业大学为例,在“三全育人”的引领下,通过挖掘实践教学中蕴含的思政元素和美育资源,利用实... 详细信息

家具设计与工程专业属多学科交叉专业,兼具科学与艺术的双重属性,契合国家新工科和美育教育的要求。实践教学是人才培养的重要环节,该文以西南林业大学为例,在“三全育人”的引领下,通过挖掘实践教学中蕴含的思政元素和美育资源,利用实践教学的全过程,从建构课程体系、优化教学内容、创新教学模式、开展学科竞赛、搭建实践教学平台等方面探索人才培养的新范式,构建“育德+育美+育人”相结合的实践教学体系,为培养多学科复合型设计创新人才奠定基础,达到培养多元化实践型人才的目标。

关键词：实践教学新工科美育教育家具设计与工程创新人才培养课程体系

Dietary nutrition, intestinal microbiota dysbiosis and post-weaning diarrhea in piglets

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Animal Nutrition 2024年第2期17卷 188-207页

作者： xuebing Han Xiangdong Hu Wei Jin Gang Liu Department of Urology Shengjing Hospital of China Medical University College of Bioscience and Biotechnology Hunan Agricultural University Hunan Provincial Engineering Research Center of Applied Microbial Resources Development for Livestock and Poultry State Key Laboratory of Subtropical Silviculture Zhejiang A&F University

Weaning is a critical transitional point in the life cycle of piglets. Early weaning can lead to post-weaning syndrome, destroy the intestinal barrier function and microbiota homeostasis, cause diarrhea and threaten the health of piglets. The nutritional components of milk and solid foods consumed by newborn animals can affect the diversity and structure of their intestinal microbiota, and regulate post-weaning diarrhea in piglets. Therefore, this paper reviews the effects and mechanisms of different nutrients,including protein, dietary fiber, dietary fatty acids and dietary electrolyte balance, on diarrhea and health of piglets by regulating intestinal function. Protein is an essential nutrient for the growth of piglets;however, excessive intake will cause many harmful effects, such as allergic reactions, intestinal barrier dysfunction and pathogenic growth, eventually aggravating piglet diarrhea. Dietary fiber is a nutrient that alleviates post-weaning diarrhea in piglets, which is related to its promotion of intestinal epithelial integrity, microbial homeostasis and the production of short-chain fatty acids. In addition, dietary fatty acids and dietary electrolyte balance can also facilitate the growth, function and health of piglets by regulating intestinal epithelial function, immune system and microbiota. Thus, a targeted control of dietary components to promote the establishment of a healthy bacterial community is a significant method for preventing nutritional diarrhea in weaned piglets.

关键词： Diarrhea Intestinal barrier Dietary protein Dietary fiber Dietary fatty acid Dietary electrolyte balance

Mn-modified nitrogen-doped Pt-based electrocatalyst for efficient oxygen reduction in aluminum-air batteries

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Nano Research 2024年第8期17卷 7126-7135页

作者： Li Gao Yang Song xuebing Xu Chang Li Chaoquan Hu State Key Laboratory of Mesoscience and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Zhongke Nanjing Institute of Green Manufacturing Industry Nanjing 211135China

In this study,a Mn-modified Pt-based catalyst loaded on nitrogen-doped Ketjen black(Mn-Pt/NKB)is prepared using a simple ethylene glycol reduction *** size of Pt nanoparticles(NPs)is effectively controlled by doping with Mn and *** the smallest average particle size of 1.7 nm,Mn-Pt/NKB demonstrates half-wave potentials of 0.890 and 0.688 V in the alkaline and neutral electrolytes,respectively,which are superior to those of commercial platinum on activated carbon(Pt/C).When applied as an air cathode in aluminum-air battery,it exhibits ultra-high power densities of 190(alkaline)and 26.2 mW·cm^(−2)(neutral).Moreover,the voltage remains stable after 5 h of *** practical application performance of the Mn-Pt/NKB catalyst in an aluminum-air battery is better than that of commercial Pt/***,the oxygen reduction reaction(ORR)mechanism on surfaces with different particle sizes is analyzed using density functional *** cracking is the major pathway on the surface of the small particles with lower energy consumption of 0.5 eV,while water molecule cleavage is the major pathway on the surface of the large particles with higher energy consumption of 0.97 *** lower energy consumption of the oxygen cracking pathway further confirms the ORR mechanism for higher activity on small-sized *** study provides a direction for the rational design of Pt-based catalysts for ORR and sheds light on the commercial development of aluminum-air batteries.

关键词： oxygen reduction reaction precious metal catalysts aluminum-air battery density functional theory(DFT)calculations reaction pathway

Transforming liquid flow fuel cells to controllable reactors for highlyefficient oxidation of 5-hydroxymethylfurfural to 2, 5-furandicarboxylic acid at low temperature

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Journal of Energy Chemistry 2024年第3期90卷 621-631,I0014页

作者： Ye Qiang Xi Liu Denghao Ouyang Zhao Jiang xuebing Zhao Key Laboratory of Industrial Biocatalysis Ministry of EducationTsinghua UniversityBeijing 100084China Institute of Applied Chemistry Department of Chemical EngineeringTsinghua UniversityBeijing 100084China School of Chemical Engineering and Technology Xi'an Jiaotong UniversityXi'an 710049ShaanxiChina

Highly-efficient oxidation of 5-hydroxymethylfurtural(HMF) to 2,5-furandicarboxylic acid(FDCA) at low temperature with air as the oxidant is still ***,inspired by the respirato ry electron transport chain(ETC) of living cells mediated by electron carriers,we constructed artificial ETCs and transformed liquid flow fuel cells(LFFCs) to flexible reactors for efficient oxidation of HMF to produce FDCA under mild *** LFFC reactor employed an electrodeposition modified nickel foam as an anode to promote HMF oxidation and(VO_(2))_(2)SO_(4) as a cathode electron carrier to facilitate the electron transfer to *** reaction rate could be easily controlled by selecting the anode catalyst,adjusting the external loading and changing the cathodic electron carrier or oxidants.A maximal power density of 44.9 mW cm^(-2) at room temperature was achieved,while for FDCA production,short-circuit condition was preferred to achieve quick transfer of *** a single batch operation with 0.1 M initial HMF,FDCA yield reached 97.1%.By fed-batch operation,FDCA concentration reached 144.5 g L^(-1) with a total yield of 96%.Ni^(2+)/Ni^(3+) redox couple was the active species mediating the electron transfer,while both experimental and DFT calculation results indicated that HMFCA pathway was the preferred reaction mechanism.

关键词： 5-Hydroxymethylfurfural 2 5-Furandicarboxylic acid Electrodeposition Electron transport chain Liquid flow fuel cell

Electrochemical reduction of carbon dioxide to produce formic acid coupled with oxidative conversion of biomass

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Journal of Energy Chemistry 2024年第5期92卷 705-729页

作者： Xi Liu Yifan Wang Zhiwei Dai Daihong Gao xuebing Zhao Key Laboratory of Industrial Biocatalysis Ministry of EducationTsinghua UniversityBeijing 100084China Institute of Applied Chemistry Department of Chemical EngineeringTsinghua UniversityBeijing 100084China

Electrochemical reduction of CO_(2)(CO_(2)RR)has become a research hot spot in recent years in the context of carbon *** is one of the most promising products obtained by electrochemical reduction of CO_(2) due to its high energy value as estimated by market price per energy unit and wide application in chemical *** is the most abundant renewable resource in the natural *** biomass oxidative conversion with CO_(2)RR driven by renewable electricity would well achieve carbon *** this work,we comprehensively reviewed the current research progress on CO_(2)RR to produce HCOOH and coupled system for conversion of biomass and its derivatives to produce value-added ***-and Bi-based electrocatalysts are discussed for CO_(2)RR with regards to the structure of the catalyst and reaction ***-oxidation reactions of biomass derived sugars,alcohols,furan aldehydes and even polymeric components of lignocellulose were reviewed as alternatives to replace oxygen evolution reaction(OER)in the conventional electrolysis *** was recommended that to further improve the efficiency of the coupled system,future work should be focused on the development of more efficient and stable catalysts,careful design of the electrolytic cells for improving the mass transfer and development of environment-friendly processes for recovering the formed formate and biomass oxidation products.

关键词： Electrochemical reduction of CO_(2) Formic acid Oxidative conversion of biomass Lignocellulose Coupled system

Generation,bonding and reactivity of transient zinc-substituted silylenes

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Science China Chemistry 2024年第4期67卷 1256-1262页

作者： Cheng Xu Thayalan Rajeshkumar Laurent Maron xuebing Leng Yaofeng Chen State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryUniversity of Chinese Academy of SciencesChinese Academy of SciencesShanghai 200032China Spin-X Institute School of Chemistry and Chemical EngineeringState Key Laboratory of Luminescent Materials and DevicesGuangdong-Hong Kong-Macao Joint Laboratory of Optoelectronic and Magnetic Functional MaterialsSouth China University of TechnologyGuangzhou 510641China LPCNO CNRS&INSAUniversitéPaul SabatierToulous 31077France

The metal-substituted silylenes are of high interest,as the theoretical studies indicated that the silylenes with electropositive substituents have a small ΔE_(S-T)(singlet-triplet energy gap)or even the ground-state ***,such compounds are highly unstable,and only two transient alkali metal-substituted silylenes M(^(t)Bu_(3)Si)Si:(M=Li,K)were generated by photoextrusion of the alkali metal-substituted silacyclopropenes and merely studied by spectroscopic method(EPR)at low temperature(14 to 50 K).Herein,we report the generation of transient zinc-substituted silylenes from zinc silacyclopropanyl complexes under very mild and convenient *** generated transient zinc-substituted silylenes are highly reactive and undergo intermolecular cycloaddition with alkenes for the synthesis of zinc-substituted Si-heterocyclic *** there is no substrate,the zinc-substituted silylenes attack the C-C bonds of the β-diketiminato ligands and break the C-C *** studies further highlight the silylene nature of the zinc-substituted silylene and a very small ΔE_(S-T)(4.4 kcal/mol).

关键词： zinc complex silylene C-C bond cleavage cycloaddition DFT calculations

Influence of toxic substances on dynamical behavior of a delayed diffusive predator-prey model

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International Journal of Biomathematics 2024年第2期17卷 177-200页

作者： Honglan Zhu xuebing Zhang Hao Zhang Business School Huaiyin Institute of Technology Huai'an 223003P.R.China College of Mathematics and Statistics Nanjing University of Information Science and Technology Nanjing210044 P.R.China Jiangsu Key Laboratory of Trafic and Transportation Security Huaiyin Institute of Technology Huaian 223003P.R.China

In this paper,we propose and investigate a delayed diffusive predator-prey model affected by toxic *** first study the boundedness and persistence property of the *** analyzing the associated characteristic equation,we obtain the conditions for the existence of steady state bifurcation,Hopf bifurcation and Turing ***,we also study the Hopf bifurcation induced by the ***,our theoretical results are verified by numerical *** numerical observation results are in good agreement with the theoretically predicted *** and numerical simulations indicate that toxic substances have a great impact on the dynamics of the system.

关键词： Toxicant delay diffusion bifurcation spatial pattern

Constrained docking control for shipborne UAV SideArm recovery

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Chinese Journal of Aeronautics 2024年第5期37卷 39-59页

作者： Zikang SU Zhuolin XING xuebing LI Chuntao LI Xinwei WANG Honglun WANG College of Automation Engineering Nanjing University of Aeronautics and AstronauticsNanjing 211106China School of Engineering and Materials Science Queen Mary University of LondonLondon E14NSUK School of Automation Science and Electrical Engineering Beihang UniversityBeijing 100191China

In this work,we sought to investigate constrained docking control during shipborne SideArm recovery of an Unmanned Aerial Vehicle(UAV)under preassigned safe docking constraints,rough ocean environments,and different initial *** aim was to solve the UAV tracking-lag problem that manifests when attempting to dock with a rapidly moving SideArm and to improve the accuracy and rapidity of ***,together with the formulations of the shipborne SideArm system and environmental airflows,the affine nonlinear dynamics of the hook was established to reduce tracking ***,echo state network approximators with good approximation capacity and low computational consumption were designed to accurately approximate the UAV’s unknown nonlinear *** feedforward compensation provided by these approximators,a nonlinear-mapping-based constrained docking control law was developed for shipborne SideArm recovery of *** approach to controlling the docking trajectory and the forward docking speed of the UAV can achieve rapid and exact docking with a moving SideArm,without violating the preassigned safe docking-constraint *** under different docking scenarios were used to validate the effectiveness and advantages of the proposed docking-control algorithm.

关键词： SideArm recovery Unmanned aerial vehicle Docking control Nonlinear mapping Echo state network