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铂修饰氮化铝纳米管对CO的吸附性能研究

原子与分子物理学报 2025年第1期42卷 88-94页

作者：任舒宁何建桥黄海深沈光先吴波贵州师范大学物理与电子科学学院贵阳550025 遵义师范学院物理与电子科学学院遵义563006

本文采用基于密度泛函理论的第一性原理研究了铂修饰的(5,5)氮化铝纳米管的几何结构、电子性质以及与一氧化碳(CO)之间的相互作用.结果表明:铂原子吸附于氮化铝纳米管表面氮原子的顶位时能量最低.铂原子附近可以吸附四个CO分子,平均吸... 详细信息

本文采用基于密度泛函理论的第一性原理研究了铂修饰的(5,5)氮化铝纳米管的几何结构、电子性质以及与一氧化碳(CO)之间的相互作用.结果表明:铂原子吸附于氮化铝纳米管表面氮原子的顶位时能量最低.铂原子附近可以吸附四个CO分子,平均吸附能在1.189-2.940 eV之间,铂原子的修饰有效提高了氮化铝纳米管对CO分子的吸附能力.本研究为实验上开发制备性能更加优良的CO气体传感器提供理论指导.

关键词：氮化铝纳米管第一性原理密度泛函理论

A Robust Self-healing Polyurethane Elastomer Enabled by Tuning the Molecular Mobility and Phase Morphology through Disulfide Bonds

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Chinese Journal of Polymer Science 2021年第10期39卷 1299-1309,I0007页

作者： Hai-Tao wu bi-Qiang Jin Hao Wang Wen-Qiang wu Zhen-Xing Cao Zhao-Yang Yuan Yue huang wei-Hang Li guang-Su huang Lu-Sheng Liao Jin-Rong wu State Key Laboratory of Polymer Materials Engineering College of Polymer Science and EngineerngSichuan UniversityChengdu 610065China guangdong Provincial Key Laboratory of Natural Rubber Processing Agricultural Products Processing Research Institute of Chinese Academy of Tropical Agricultural SciencesZhanjiang 524001China

Elastomers with outstanding strength,toughness and healing efficiency are highly promising for many emerging ***,it is still a challenge to integrate all these beneficial features in one ***,an asymmetric alicyclic structure adjacent to aromatic disulfide was tactfully introduced into the backbone of polyurethane(PU)***,such elastomer(PU-HPS)was fabricated by polycondensing polytetramethylene ether glycol(PTMEG),isophorone diisocyanate(IPDI)and p-hydroxydiphenyl disulfide(HPS)via one-pot *** molecular mobility and phase morphology of PU-HPS can be tuned by adjusting the HPS ***,the dynamic exchange of hydrogen and disulfide bonds in the hard segment domains can also be *** optimized sample manifests outstanding tensile strength(46.4 MPa),high toughness(109.1 MJ/m^(3)),high self-healing efficiency after fracture(90.3%),complete scratch recovery(100%)and good puncture ***,this work provides a facile strategy for developing robust self-healing polymers.

关键词： Self-healing Polyurethane Disulfide bonds Chain mobility Phase morphology

Effects of cellulose nanocrystals on the acid resistance of cementitious composites

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International Journal of Minerals,Metallurgy and Materials 2021年第11期28卷 1745-1758页

作者： Lin-ping wu guang-ping huang Chao-shi Hu wei Victor Liu School of Mining and Petroleum Engineering University of AlbertaEdmontonAlberta T6G 2E3Canada Utility Planning&Design EPCOR Utilities IncEdmontonAB T5M 3B8Canada

Acid mine drainage presents an important threat to cementitious *** study is aimed at investigating the effect of cellulose nanocrystals(CNCs)on the acid resistance of cementitious *** were added to mortar mixtures as additives at cement volume ratios of 0.2vol%,0.4vol%,1.0vol%,and 1.5vol%.After 28 d of standard curing,the samples were immersed in a sulfuric acid with a pH value of 2 for 75 *** unconfined compressive strength(UCS)test,the density,water absorption,void volume test,and thermogravimetric analysis were carried out to investigate the properties of CNC mixtures before sulfuric acid *** was found that the addition of CNC reduced the volume of permeable voids and increased the hydration degree and mechanical strength of the *** in mass and length were monitored during immersion to evaluate the acid resistance of *** mixture with 0.4vol%CNC showed a reduced mass change and length change indicating its improved acid resistance.

关键词： acid resistance acid mine drainage cementitious composites cellulose nanocrystals

Parametric study on single shot peening by dimensional analysis method incorporated with finite element method

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Acta Mechanica Sinica 2012年第3期28卷 825-837页

作者： Xian-Qian wu Xi Wang Yan-Peng wei Hong-wei Song Chen-guang huang Key Laboratory for Hydrodynamics and Ocean Engineering Institute of MechanicsChinese Academy of Sciences100190 BeijingChina

Shot peening is a widely used surface treatment method by generating compressive residual stress near the surface of metallic materials to increase fatigue life and re- sistance to corrosion fatigue, cracking, etc. Compressive re- sidual stress and dent profile are important factors to eval- uate the effectiveness of shot peening process. In this pa- per, the influence of dimensionless parameters on maximum compressive residual stress and maximum depth of the dent were investigated. Firstly, dimensionless relations of pro- cessing parameters that affect the maximum compressive residual stress and the maximum depth of the dent were de- duced by dimensional analysis method. Secondly, the in- fluence of each dimensionless parameter on dimensionless variables was investigated by the finite element method. Fur- thermore, related empirical formulas were given for each di- mensionless parameter based on the simulation results. Fi- nally, comparison was made and good agreement was found between the simulation results and the empirical formula, which shows that a useful approach is provided in this pa- per for analyzing the influence of each individual parameter.

关键词： Keywords Shot peening - Maximum compressive residualstress Maximum depth of the dent Dimensional analysismethod ~ Finite element method

Simultaneous Fe(Ⅲ) reduction and ammonia oxidation process in Anammox sludge

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Journal of Environmental Sciences 2018年第2期30卷 42-50页

作者： Xiang Li Yong huang Heng-wei Liu Chuan wu wei bi Yi Yuan Xin Liu School of Environmental Science and Engineering Suzhou University of Science and Technology School of Chemistry biology and Material Engineering Suzhou University of Science and Technology

In recent years, there have been a number of reports on the phenomenon in which ferric iron（Fe（Ⅲ）） is reduced to ferrous iron [Fe（Ⅱ）] in anaerobic environments, accompanied by simultaneous oxidation of ammonia to NO2-, NO3-, or ***, studies on the relevant reaction characteristics and mechanisms are rare. Recently, in research on the effect of Fe（Ⅲ） on the activity of Anammox sludge, excess ammonia oxidization has also been ***, in the present study, Fe（Ⅲ） was used to serve as the electron acceptor instead of NO2-,and the feasibility and characteristics of Anammox coupled to Fe（Ⅲ） reduction（termed Feammox） were investigated. After 160 days of cultivation, the conversion rate of ammonia in the reactor was above 80%, accompanied by the production of a large amount of NO3-and a small amount of NO2-. The total nitrogen removal rate was up to 71.8%. Furthermore,quantities of Fe（Ⅱ） were detected in the sludge fluorescence in situ hybridization（FISH） and denaturated gradient gel electrophoresis（DGGE） analyses further revealed that in the sludge, some Anammox bacteria were retained, and some microbes were enriched during the acclimatization process. We thus deduced that in Anammox sludge, Fe（Ⅲ） reduction takes place together with ammonia oxidation to NO2-and NO3-along with the Anammox process.

关键词： Anammox sludge Anammox coupled to Fe(Ⅲ) reduction Reaction characteristics biological community analysis

FSI simulation of dynamics of fish passing through a tubular turbine based on the immersed boundary-lattice Boltzmann coupling scheme

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Journal of Hydrodynamics 2022年第1期34卷 135-147页

作者： Ze-hao huang Yong-guang Cheng Jia-yang wu wei Diao Wen-xin Huai State Key Laboratory of Water Resources and Hydropower Engineering Science Wuhan UniversityWuhan430072China Changjiang Institute of Survey PlanningDesign and ResearchWuhan430010China School of River and Ocean Engineering Chongqing Jiaotong UniversityChongqing400016China

The anadromous fish can pass through turbines of run-of-the-river hydropower stations to reach the downstream watershed, but their mortality is significant because of the complex turbine structure, the fast-rotating runner, and the special flow patterns. Numerical simulations of the dynamics of fish passing are a challenging task, because the fish motion in the turbines involves a strong fluid-structure interaction (FSI). In this paper, the 3-D immersed boundary-lattice Boltzmann (IB-LB) coupling scheme is proposed to treat the FSI between the water and the fish. The process of one fish and three fish passing through a tubular turbine is simulated on a graphics processing unit (GPU) platform. The fish motion postures (translation and rotation), the fish body pressure distributions and histories are analyzed, and the results are consistent with the previous studies. This paper presents the IB-LB models, the simulation procedures, the specific treatments, and related results, to demonstrate the effectiveness of the IB-LB coupling scheme in simulating FSI problems and its application prospects in developing fish-friendly turbines.

关键词： Fluid-structure interaction(FSI) immersed boundary method lattice Boltzmann method tubular turbine fish passing dynamics 3-D simulation

Inhomogeneous Natural Network Promoting Strain-induced Crystallization:A Mesoscale Model of Natural Rubber

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Chinese Journal of Polymer Science 2019年第11期37卷 1142-1151页

作者： Han Liu guang-Su huang Lai-Yun wei Jian Zeng Xuan Fu Cheng huang Jin-Rong wu College of Polymer Science and Engineering State Key Laboratory of Polymer Materials Engineering Sichuan University

Although synthetic rubbers show continuously improved mechanical properties,natural rubber (NR) remains irreplaceable in the rubber family due to its superior mechanical properties.A mainstream viewpoint regarding the superiority of NR is that NR possesses a natural network formed by linking the poly(cis-l,4-isoprene) chain terminals to protein and phospholipid aggregates;after vulcanization,the natural network additionally contributes to rubber mechanics by both increasing the network density and promoting the strain-induced crystallization (SIC) ***,the reason why the natural network promotes SIC is still unclear;in particular,only using the increased network density cannot explain our finding that the NR shows smaller onset strain of SIC than Gel (the gel component of NR with higher network density) and even vulcanized ***,we point out that the inhomogeneous chain deformation is the alternative reason why SIC of NR takes place at smaller strain than that of *** specifically,although the natural network is homogenous on the subchain length scale based on the proton double-quantum NMR results,it is essentially inhomogeneous on mesoscale (100 nm),as revealed by the small angle X-ray scattering *** inhomogeneous network also leads to the mesoscale deformation inhomogeneity,as detected by the orientation of stearic acid (SA) probe,thus resulting in the smaller onset strain of SIC of *** on the experimental results,a mesoscale model is proposed to qualitatively describe the crucial roles of inhomogeneous structure and deformation of natural network in NR?s mechanical properties,providing a clue from nature to guide the development of high-performance rubbers with controlled structures at mesoscale.

关键词： Natural Rubber Inhomogeneous natural network Strain-induced crystallization Mesoscale model

Research on Transfer Learning of Vision-based Gesture Recognition

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International Journal of Automation and computing 2021年第3期18卷 422-431页

作者： bi-Xiao wu Chen-guang Yang Jun-Pei Zhong College of Automation Science and Engineering South China University of TechnologyGuangzhou 510640China Shien-Ming wu School of Intelligent Engineering South China University of TechnologyGuangzhou 511442China Foshan Newthinking Intelligent Technology Company Ltd. Foshan 528231China

Gesture recognition has been widely used for human-robot *** present,a problem in gesture recognition is that the researchers did not use the learned knowledge in existing domains to discover and recognize gestures in new *** each new domain,it is required to collect and annotate a large amount of data,and the training of the algorithm does not benefit from prior knowledge,leading to redundant calculation workload and excessive time *** address this problem,the paper proposes a method that could transfer gesture data in different *** use a red-green-blue(RGB)Camera to collect images of the gestures,and use Leap Motion to collect the coordinates of 21 joint points of the human ***,we extract a set of novel feature descriptors from two different distributions of data for the study of transfer *** paper compares the effects of three classification algorithms,i.e.,support vector machine(SVM),broad learning system(BLS)and deep learning(DL).We also compare learning performances with and without using the joint distribution adaptation(JDA)*** experimental results show that the proposed method could effectively solve the transfer problem between RGB Camera and Leap *** addition,we found that when using DL to classify the data,excessive training on the source domain may reduce the accuracy of recognition in the target domain.

关键词： Transfer learning gesture recognition red-green-blue(RGB)Camera Leap Motion joint distribution adaptation(JDA)

Synthesis and Properties of Hydroxytelechelic Polyisobutylenes by End Capping with tert-Butyl-dimethyl-(4-methyl-pent-4-enyloxy)-silane

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Chinese Journal of Polymer Science 2019年第9期37卷 936-942页

作者： Jing Li Kang-Da wu huang Shan Jing-Han Zhang Ming Zhao guang-bi Gong Wen-Li Guo Yi-Bo wu College of Materials Science & Engineering Beijing Institute of Petrochemical Technology Beijing 102617 China Lanzhou Petrochemical Research Center Petrochina Lanzhou 730060 China Beijing Key Laboratory of Specialty Elastomer Composite Materials Beijing Institute of Petrochemical Technology Beijing 102617 China

The low-activity cationic monomer tert-butyl-dimethyl-(4-methyl-pent-4-enyloxy)-silane was synthesized by Grignard reaction and hydroxyl-protection reaction. Living polyisobutylene chains were initially synthesized by controlled cationic polymerization and then capped with tert-butyl-dimethyl-(4-methyl-pent-4-enyloxy)-silane. The hydrolysis of these polyisobutylenes end capped with tert-butyl-dimethyl-(4-methyl-pent-4-enyloxy)-silane gave rise to hydroxytelechelic polyisobutylene. NMR analysis confirmed that the hydrolysis was complete. Results also showed that a low polymerization temperature favored the participation of tert-butyl-dimethyl-(4- methyl-pent-4?enyloxy)-silane in the end-capping reaction. Moreover, polyisobutylene-based polyurethane exhibited greater acid resistance than commercial polyurethane.

关键词： Carbocationic polymerization Polyisobutylene Hydrolysis Polyisobutylene-based polyurethane