检索结果-南通市图书馆

Engineering atomic Rb-N configurations to tune radical pathways for highly selective photocatalytic H2O2 synthesis coupled with biomass valorization

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Journal of Energy Chemistry 2025年第1期100卷 215-225页

作者： Jiaye Li Shuang Pan yihuang Chen Qiong liu College of Chemistry and Materials Engineering Wenzhou University Guangdong Provincial Key Laboratory of Chemical Measurement and Emergency Test Technology (China) Institute of Analysis Guangdong Academy of Sciences (China National Analytical CenterGuangzhou)

Photocatalytic oxygen reduction for hydrogen peroxide （H2O2） synthesis presents a green and costeffective production ***,achieving highly selective H2O2synthesis remains challenging,necessitating precise control over free radical reaction pathways and minimizing undesirable oxidative ***,we report for the visible light-driven simultaneous co-photocatalytic reduction of O2to H2O2and oxidation of biomass using the atomic rubidium-nitride modified carbon nitride（CNRb）.The optimized CNRb catalyst demonstrates a record photoreduction rate of 8.01 mM h-1for H2O2generation and photooxidation rate of 3.75 mM h-1for furfuryl alcohol to furoic acid,achieving a remarkable solar-to-chemical conversion （SCC） efficiency of up to 2.27%.Experimental characterizations and DFT calculation disclosed that the introducing atomic Rb–N configurations allows for the high-selective generation of superoxide radicals while suppressing hydroxyl free radical *** is because the Rb–N serves as the new alternative site to perceive a stronger connection position for O2adsorption and reinforce the capability to extract protons,thereby triggering a high selective redox product *** study holds great potential in precisely regulating reactive radical processes at the atomic level,thereby paving the way for efficient synthesis of H2O2coupled with biomass valorization.

关键词： Free radical reactions

Small modifications of endo-functionalized cavities lead to large changes in molecular interaction in water

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Science China Chemistry 2025年第1期 369-376页

作者： Song-Meng Wang Hao Nian Yan-Fang Wang Li-Shuo Zheng Yu-Tao Zheng yi-Wei Dong Liping Huang Xiaoping Wang Wei Jiang liu-Pan Yang Department of Chemistry Southern University of Science and Technology School of Chemistry and Pharmaceutical Sciences State Key Laboratory for Chemistry and Molecular Engineering of Medicinal ResourcesGuangxi Normal University School of Pharmaceutical Science Hengyang Medical School University of South China

Studying molecular recognition in aqueous environments is crucial for understanding biological processes. Herein, we present a series of N-doped endo-functionalized anthracene-based cavities by introducing inward-directed pyridine units. The subtle modifications can significantly affect the binding properties of these receptors, which is similar to the mutations in biological systems. Combining theoretical calculations and molecular recognition experiments demonstrated that these “mutations” have an impact on the hydrophobicity and charge distribution of the hosts, consequently significantly influencing molecular *** is crucial for understanding the intricate mechanisms of molecular-level interactions in biological receptors.

关键词：

同方期刊数据库

Uncertain Multidisciplinary Design Optimization on Next Generation Subsea Production System by Using Surrogate Model and Interval Method

在线全文

学校读者我要写书评

暂无评论

China Ocean Engineering 2021年第4期35卷 609-621页

作者： WU Jia-hao ZHEN xing-wei liu Gang HUANG yi School of Naval Architecture and Ocean Engineering Dalian University of TechnologyDalian 116024China

The innovative Next Generation Subsea Production System(NextGen SPS)concept is a newly proposed petroleum development solution in ultra-deep water *** definition of NextGen SPS involves several disciplines,which makes the design process *** this paper,the definition of NextGen SPS is modeled as an uncertain multidisciplinary design optimization(MDO)*** deterministic optimization model is formulated,and three concerning disciplines—cost calculation,hydrodynamic analysis and global performance analysis are *** model technique is applied in the latter two *** optimization(CO)architecture is utilized to organize the concerning disciplines.A deterministic CO framework with two disciplinelevel optimizations is proposed *** the uncertainties of design parameters and surrogate models are incorporated by using interval method,and uncertain CO frameworks with triple loop and double loop optimization structure are established *** optimization results illustrate that,although the deterministic MDO result achieves higher reduction in objective function than the uncertain MDO result,the latter is more reliable than the former.

关键词： next generation subsea production system multidisciplinary design optimization uncertain optimization collaborative optimization surrogate model interval method

基于石墨烯电极TCNQ分子结热/电输运性质理论研究

在线全文

学校读者我要写书评

暂无评论

原子与分子物理学报 2025年第3期42卷 135-140页

作者：刘仪伟邱乙峰张蓓新疆大学物理科学与技术学院乌鲁木齐830046

本文采用密度泛函理论和非格林平衡函数,对基于石墨烯电极的7,7,8,8-四氰基苯醌二甲烷(Tetracyanoquinodimethane,TCNQ)分子结热/电输运性质进行系统研究.研究结果表明:随着中心TCNQ分子个数的增加,声子透射系数明显降低,即声子透射行... 详细信息

本文采用密度泛函理论和非格林平衡函数,对基于石墨烯电极的7,7,8,8-四氰基苯醌二甲烷(Tetracyanoquinodimethane,TCNQ)分子结热/电输运性质进行系统研究.研究结果表明:随着中心TCNQ分子个数的增加,声子透射系数明显降低,即声子透射行为受到极大抑制.与此同时,电子透射系数也有一定程度的减小.在热/电参数的协同作用下,伴随分子数量的增加分子结热电转换性能呈上升趋势,1TCNQ热电优值(ZT)为0.016,而2TCNQ则上升了1个数量级,ZT值达到0.11.最后,我们对分子结依赖于分子结构个数的自旋输运性质进行研究,发现TCNQ分子结具有显著的自旋过滤效应,其过滤能力随着TCNQ分子数量的增加而增加.该工作可为实验制备分子热电器件提供理论依据和数据支持.

关键词：锯齿状石墨烯纳米带 TCNQ分子自旋输运性质自旋过滤效应

维普期刊数据库博看期刊

同方期刊数据库

Research on the performance of heavy-haul rail breakage detection using track circuit

在线全文

学校读者我要写书评

暂无评论

Transportation Safety and Environment 2020年第4期2卷 292-304页

作者： yi xing Wei Li Zhiming liu School of Traffic&Transportation Engineering Central South UniversityChangshaChina410075 CRSC Research&Design Institute Group Co. Ltd.BeijingChina100070

Rail breakage is one of the major safety risks in railway *** of the large axle weight,high density and large capacity of the heavy-haul railway,the damage to rail caused by heavy-haul train wheels will be more serious than that caused by ordinary passenger and cargo trains,resulting in a higher frequency of rail *** the Daqin Railway Line as the research object,this paper analyses and discusses rail breakages occurring in interstation tracks and in-station tracks by establishing the ZPW-2000A track circuit calculation model considering the land leakage resistance between the rail line tracks;introduces the defining standards and measurement index of the broken rail coefficient to quantitatively analyse the influence of various influencing factors on the rail breakage inspection performance under the most unfavourable working conditions;and compares the model simulation data,the laboratory model data and the field test results to verify its effectiveness,so as to provide a reference and theoretical basis for the subsequent improvement and solution of the heavy-haul railway rail breakage problem.

关键词： heavy-haul railway track circuit rail breakage real-time detection rail breakage on-line detection

Preparation of Modified Composite Nanofiltration Membrane Synergistically Using Carboxylic Multi- walled Carbon Nanotube and β-cyclodextrin

在线全文

学校读者我要写书评

暂无评论

Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 232-239页

作者： liu Peng MAO Junpeng FANG Yanfeng YU Yunwu CHEN Changxiu TANG Ning WAN Ye GU Yaxin liu Yunxue WANG Lihua School of Materials Science and Engineering Shenyang Jianzhu UniversityShenyang 110168China

A new modified blend ultrafiltration(UF)membrane with good hydrophilicity,high porosity and excellent anti-fouling performance was developed by using carboxylic multi-walled carbon nanotube(CMWCNT)as casting solution ***,a composite nanofiltration(NF)membrane with large water flux and good retention rate was fabricated by using the PVDF/CMWCNT blend UF membrane as the substrate,and polyvinyl alcohol(PVA),β-cyclodextrin(β-CD)and polyethylenimine(PEI)as the coating *** results show that with the appropriate addition of CMWCNT in the casting solution,the surface roughness,porosity and recovery rate of the PVDF/CMWCNT blend UF membrane is obviously *** water flux of blend UF membrane is significantly improved when the CMWCNT content increases from 0 wt%to 0.2 wt%.The water flux of blend UF membrane with 0.2 wt%CMWCNT is 162.7 L/(m^(2)·h),which is 44.3%higher than that of the pure PVDF ***β-CD content is 0.8 wt%,the retention rate of Congo red by PVDF/CMWCNT/β-CD composite NF membrane reaches 98.7%,which is 28.3%higher than that of single PVA/PEI modified *** research will provide a new idea and simple method for developing novel high-performance composite NF membranes.

关键词： CMWCNT cyclodextrin nanofiltration membrane

Phase transformation behavior of titanium during carbothermic reduction of titanomagnetite ironsand

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

International Journal of Minerals,Metallurgy and Materials 2016年第7期23卷 760-768页

作者： yi-ran liu Jian-liang Zhang Zheng-jian liu Xiang-dong xing School of Metallurgical and Ecological Engineering University of Science and Technology Beijing School of Metallurgical Engineering Xi'an University of Architecture and Technology

The reduction of titanomagnetite（TTM） ironsand, which contains 11.41wt% TiO_2 and 55.63wt% total Fe, by graphite was performed using a thermogravimetric analysis system under an argon gas atmosphere at 1423–1623 K. The behavior and effects of titanium in TTM ironsand during the reduction process were investigated by means of thermogravimetric analysis, X-ray diffraction, scanning electron microscopy, and energy-dispersive X-ray spectroscopy. During the reduction procedure, the titanium concentrated in the slag phase, where the phase transformation followed this sequence： Fe O ＋ FeTiO_3 → Fe_2 TiO_4 → FeTiO_3 → FeTi_2O_5 → TiO_2. The calculated results for the reduction kinetics showed that the carbothermic reduction was controlled by the diffusion of ions through the product layer. Furthermore, the apparent activation energy was 170.35 k J·mol^（-1）.

关键词： titanomagnetite carbothermic reduction apparent activation energy phase transformation

A dynamic exploratory hybrid modelling framework for simulating complex and uncertain system

在线全文

学校读者我要写书评

暂无评论

Journal of Safety Science and Resilience 2024年第2期5卷 167-178页

作者： Gangqiao Wang Han xing Yongqiang Chen yi liu Institute of Big Data Inteligent Management and Decision-making College of ManagementShenzhen UniversityShenzhen 518060China School of Safety Science Tsinghua UniversityBejing 100084China Department of Mechanics and Engineering Science College of EngineeringPeking UniversityBejing 100871China

Complex disaster systems involve various components and mechanisms that could interact in complex ways and change over time,leading to significant deep *** to deep uncertainty,decision-makers have severe inadequacy of knowledge and often encounter unpredictable surprises that may emerge in the future,thus making it difficult to specify appropriate models and parameters to describe the system of *** this paper,we propose a dynamic exploratory hybrid modeling framework that fits data,models,and computational ex-periments together to simulate complex systems with deep *** the framework,one needs to develop multiple plausible models from a hybrid modeling perspective and perform enormous computational experi-ments to explore the diversity of future ***-time data is then incorporated into diverse forecasts to dynamically adjust the simulation *** ultimately enables an ongoing modeling and analysis process in which deep uncertainty would be gradually *** approach has been applied to a human-involved car-following system simulation under complex traffic *** results show that the proposed approach can improve the prediction accuracy while enhancing the sensitivity of the simulation system to uncertain changes in the system of interest.

关键词： Disaster modeling and analysis Deepuncertainty Hybrid modeling Adaptivesimulation

Research status and prospects of the fractal analysis of metal material surfaces and interfaces

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 20-38页

作者： Qinjin Dai Xuefeng liu Xin Ma Shaojie Tian Qinghe Cui Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijing 100083China Beijing Laboratory of Metallic Materials and Processing for Modern Transportation University of Science and Technology BeijingBeijing 100083China Laboratory for Advanced Materials Processing of Ministry of Education University of Science and Technology BeijingBeijing 100083China School of Mechanical and Electrical Engineering Xinjiang Institute of EngineeringUrumqi 830023China

As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine *** analysis has been used to characterize the shapes of metal materials at various scales and *** methods make it difficult to quantitatively describe the relationship between the regular characteristics and properties of metal material surfaces and ***,fractal analysis can be used to quantitatively describe the shape characteristics of metal materials and to establish the quantitative relationships between the shape characteristics and various properties of metal *** the perspective of two-dimensional planes and three-dimensional curved surfaces,this paper reviews the current research status of the fractal analysis of metal precipitate interfaces,metal grain boundary interfaces,metal-deposited film surfaces,metal fracture surfaces,metal machined surfaces,and metal wear *** relationship between the fractal dimensions and properties of metal material surfaces and interfaces is *** from three perspectives of fractal analysis,namely,research scope,image acquisition methods,and calculation methods,this paper identifies the direction of research on fractal analysis of metal material surfaces and interfaces that need to be *** is believed that revealing the deep influence mechanism between the fractal dimensions and properties of metal material surfaces and interfaces will be the key research direction of the fractal analysis of metal materials in the future.

关键词： metal material surfaces and interfaces fractal analysis fractal dimension homogeneity