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chinese Journal of Polymer Science 2024年第8期42卷 1085-1092页

作者： Hong-Yu Ji Hong-Liang Mu Chun-Feng Tang Yu-Xing zhang Yue chi Zhong-Bao Jian Key Laboratory of Advanced Structural Materials Ministry of EducationSchool of Materials Science and EngineeringChangchun University of TechnologyChangchun 130012China State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China

Olefin polymerization is one of the most im portant chemical reactions in *** work presents a strategy that emphasizes the synergistic meta/poro-steric hindrance of N-aryl groups and electronic effects in newly synthesized neutral salicylaldiminato nickel *** nickel(Ⅱ)catalysts exhibit exceptional thermostability,ranging from 30℃to 130℃,demonstrating enhanced catalytic activities and broadly regulated polyethylene molecular weights(3-341 kg·mol^(-1))and controlled polymer branch density(2-102 brs/1000C).The preferred catalyst Ni3 with concerted steric and electronic effects enables the production of solid-state semi-crystalline polyethylene materials at temperatures below 90℃.Notably,Ni3 exhibits an impressive tolerance of 110℃and can withstand even the challenging polymerization temperature of 130℃,leading to the production of polyethylene wax and ***,functionalized polyethylene is produced.

关键词： Polyolefin Salicylaldiminato ligand Nickel catalyst Oil Wax

Revealing the correlation between adsorption energy and activation energy to predict the catalytic activity of metal oxides for HMX using DFT

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Defence Technology（防务技术） 2024年第1期31卷 262-270页

作者： Xiurong Yang chi zhang Wujing Jin Zhaoqi Guo Hongxu Gao Shiyao Niu Fengqi Zhao Bo Liu Haixia Ma Xi'an Key Laboratory of Special Energy Materials School of Chemical EngineeringNorthwest UniversityXi'an710069China Science and Technology on Combustion and Explosion Laboratory Xi'an Modern Chemistry Research InstituteXi'an710065China Rocket Force University of Engineering Xi'an 710025China

Traditional selection of combustion catalysis is time-consuming and *** calculation is expected to resolve this *** adsorption energy of HMX and O atoms on 13 metal oxides was calculated using DMol3,since HMX and O are key substances in decomposition *** the relationship between the adsorption energy of HMX,O on metal oxides(TiO_(2),Al_(2)O_(3),PbO,CuO,Fe_(2)O_(3),Co_(3)O_(4),Bi_(2)O_(3),NiO)and experimental T30 values(time required for the decomposition depth of HMX to reach 30%)was depicted as volcano ***,the T30 values of other metal oxides was predicted based on their adsorption energy on volcano plot and validated by previous experimental ***,the adsorption energy of HMX on ZrO_(2)and MnO_(2)was predicted based on the linear relationship between surface energy and adsorption energy,and T30 values were estimated based on volcano *** apparent activation energy data of HMX/MgO,HMX/SnO_(2),HMX/ZrO_(2),and HMX/MnO_(2)obtained from DSC experiments are basically consistent with our predicted T30 values,indicating that it is feasible to predict the catalytic activity based on the adsorption calculation,and it is expected that these simple structural properties can predict adsorption energy to reduce the large quantities of computation and experiment cost.

关键词： Density functional theory HMX Metal oxides Adsorption energy Activation energy

Numerical study of particle behaviours and heat transfer in a complex rotary kiln

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Particuology 2024年第9期92卷 81-94页

作者： Qingshan Jian Hailin Gu Kaige Wang Shuai Wang Mingxiu Zhan Jinqing Wang Longjie Ji Zuohe chi Guangxue zhang The Institute for Energy Engineering China Jiliang UniversityHangzhou310000China Qingshanhu Energy Research Center Zhejiang UniversityHangzhou311305China State Key Laboratory of Clean Energy Utilization Zhejiang UniversityHangzhou310027China Beijing Construction Engineering Group Environmental Remediation Co. LtdBeijing100015China

Rotary kiln is widely used for thermal disposal of solid waste due to its effectiveness and high efficiency in recent *** further improve the processing efficiency,a newly designed rotary kiln with three-section structure is proposed,and the behaviours of particle motion and heat transfer are ***,a lab-scale rotary kiln is manufactured,and experiments are carried *** by experimental data,a CFD-DEM numerical model is developed to analyze the particle motion and heat transfer characteristics with the effects of inlet flue gas temperature,feeding rate and rotating *** results show that the outlet temperature increases linearly with the flue gas temperature,while it is negatively correlated with the feeding rate and rotating *** addition,the volumetric heat transfer coefficient in this complex rotary kiln is analyzed,the overall heat transfer coefficient is between 200 and 700 W/(m^(3)K).

关键词： Rotary kiln Lifter Particlemotion Heat transfer CFD-DEM

Amine-functionalized metal organic framework@graphene oxide as filler in PAEK-containing carboxyl group membrane for ultrafiltration with ultra-high permeability and strong fouling resistance

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chinese Journal of Chemical Engineering 2024年第6期70卷 93-103页

作者： Zhaoli Wang Wenjing Li Yi zhang Yanyin Cheng Junjian Yu Tianming Dong Xiaoyu chi Di Liu Zhe Wang School of Chemistry and Life Science Changchun University of TechnologyChangchun 130012China Advanced Institute of Materials Science Changchun University of TechnologyChangchun 130012China Key Laboratory of Advanced Functional Polymer Membrane Materials of Jilin Province Changchun 130012China

Achieving high fouling resistance and permeability using membrane separation technology in water treatment processes remains a *** this work,a novel mixed-matrix membrane(MMM)(poly(arylene ether ketone)[PAEK]-containing carboxyl groups[PAEK-COOH]/UiO-66-NH_(2)@graphene oxide[GO])with superb fouling resistance and high permeability was prepared by the nonsolvent-induced phase separation method,by in-situ growth of UiO-66-NH_(2) on the GO layer,and by preparing hydrophilic *** the basis of the structure and performance analysis of the MMM,the maximum water flux reached 591.25 L·m^(-2)·h^(-1) for PAEK-COOH/UiO-66-NH_(2)@GO,whereas the retention rate for bovine serum albumin increased from 85.40%to 94.87%.As the loading gradually increased,the hydrophilicity of the MMMs increased,significantly enhancing their fouling *** strongest anti-fouling ability observed was 94.74%,which was 2.02 times greater than that of the pure *** the same time,the MMMs contained internal amide and hydrogen bonds during the preparation process,forming a cross-linked structure,which further enhanced the mechanical strength and chemical *** summary,the MMMs with high retention rate,strong permeability,and anti-fouling ability were successfully prepared.

关键词： Poly(arylene ether ketone)-containing Carboxyl groups(PAEK-COOH) UiO-66-NH_(2)@graphene oxide Hydrophilic modification Ultra-high selectivity Strong anti-fouling

Optoelectronic tuning of plasmon resonances via optically modulated hot electrons

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National Science Review 2024年第5期11卷 134-141页

作者： Jiacheng Yao Cheng Wang chi zhang Song Ma Li Zhou Ti Wang Ququan Wang Hongxing Xu Tao Ding Key Laboratory of Artificial Micro Nano Structure of Ministry of Education School of Physics and Technology Wuhan University Department of Physics Southern University of Science and Technology

Fast optical modulation of nanoplasmonics is fundamental for on-chip integration of all-optical *** various strategies have been proposed for dynamic modulation of surface plasmons, critical issues of device compatibility and extremely low efficiency in the visible spectrum hamper the application of optoplasmonic nanochips. Here we establish an optoplasmonic system based on Au@Cu2–xS hybrid core–shell nanoparticles. The optical excitation of hot electrons and their charge transfer to the semiconductor coating(Cu2–xS) lead to lowered electron density of Au, which results in the red shift of the localized surface plasmon resonance. The hot electrons can also transport through the Cu2–xS layer to the metal substrate, which increases the conductance of the nanogap. As such, the coupled gap plasmon blue-shifts with a magnitude of up to ～15 nm, depending on the excitation power and the thickness of the coatings, which agrees with numerical simulations. All of this optoelectronic tuning process is highly reversible, controllable and fast with a modulated laser beam, which is highly compatible and sufficiently useful for on-chip integration of nanophotonic devices.

关键词： hot carriers plasmon switching optoplasmonics circuit modelNPoM

Analysis of mechanical strengths of extreme line casing joint considering geometric, material, and contact nonlinearities

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Petroleum Science 2024年第3期21卷 1992-2004页

作者： Ji-Yun zhang chi Peng Jian-Hong Fu Quan Cao Yu Su Jian-Yun Pang Zi-Qiang Yu Petroleum Engineering School Southwest Petroleum UniversityChengdu610500SichuanChina Engineering Technology Research Institute of CNPC Southwest Oil and Gas Field Company Chengdu610017SichuanChina

To address the challenges associated with difficult casing running,limited annular space,and poor cementing quality in the completion of ultra-deep wells,the extreme line casing offers an effective solution over conventional ***,due to its smaller size,the joint strength of extreme line casing is reduced,which may cause failure when running in the *** address this issue,this study focuses on the CST-ZTΦ139.7 mm×7.72 mm extreme line casing and employs the elastic-plastic mechanics to establish a comprehensive analysis of the casing joint,taking into account the influence of geometric and material nonlinearities.A finite element model is developed to analyze the forces and deformations of the extreme line casing joint under axial tension and external collapse *** model investigates the stress distribution of each thread tooth subjected to various tensile forces and external ***,the tensile strength and crushing strength of the extreme line casing joint are determined through both analytical and experimental *** findings reveal that,under axial tensile load,the bearing surface of each thread tooth experiences uneven stress,with relatively high equivalent stress at the root of each thread *** end thread teeth are valuable spots for *** is observed that the critical fracture axial load of thread decreases linearly with the increase of thread tooth *** external pressure,the circumferential stress is highest at the small end of the external thread,leading to yield *** tensile strength of the joint obtained from the finite element model exhibits a relative error of less than 7%compared to the analytical and experimental values,proving the reliability of the finite element *** tensile strength of the joint is 3091.9 k ***,in terms of anti-collapse capability,the joints demonstrate higher resistance to collapse compared to the casing body,which is consistent with the test resul

关键词： Extreme line casing Elastic-plastic mechanics Finite element analysis Tensile strength Collapse strength

Investigations of methane adsorption characteristics on marine-continental transitional shales and gas storage capacity models considering pore evolution

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Petroleum Science 2024年第4期21卷 2273-2286页

作者： Chen-Gang Lu xian-Ming Xiao Zhen-Qian Xue zhang-Xin Chen Yin-Tao Dong Yue Feng Gang Li School of Energy Resources China University of Geosciences (Beijing) School of Civil and Environmental Engineering Nanyang Technological University Chemical and Petroleum Engineering University of Calgary Eastern Institute of Technology (tentative) CNOOC Research Institute

Methane adsorption is a critical assessment of the gas storage capacity(GSC) of shales with geological conditions. Although the related research of marine shales has been well-illustrated, the methane adsorption of marine-continental transitional(MCT) shales is still ambiguous. In this study, a method of combining experimental data with analytical models was used to investigate the methane adsorption characteristics and GSC of MCT shales collected from the Qinshui Basin, china. The Ono-Kondo model was used to fit the adsorption data to obtain the adsorption parameters. Subsequently, the geological model of GSC based on pore evolution was constructed using a representative shale sample with a total organic carbon(TOC) content of 1.71%, and the effects of reservoir pressure coefficient and water saturation on GSC were explored. In experimental results, compared to the composition of the MCT shale, the pore structure dominates the methane adsorption, and meanwhile, the maturity mainly governs the pore structure. Besides, maturity in the middle-eastern region of the Qinshui Basin shows a strong positive correlation with burial depth. The two parameters, micropore pore volume and non-micropore surface area, induce a good fit for the adsorption capacity data of the shale. In simulation results, the depth,pressure coefficient, and water saturation of the shale all affect the GSC. It demonstrates a promising shale gas potential of the MCT shale in a deeper block, especially with low water saturation. Specifically,the economic feasibility of shale gas could be a major consideration for the shale with a depth of 60% in the Yushe-Wuxiang area. This study provides a valuable reference for the reservoir evaluation and favorable block search of MCT shale gas.

关键词： High-pressure methane adsorption Marine-continental transitional shale gas Ono-Kondo model Adsorption thermodynamics Gas storage capacity model

Metal-organic nanosheet assembly ions sieving membrane for precise lithium ion and anion/solvent separation toward robust lithium metal battery

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Science china Chemistry 2024年第10期67卷 3320-3327页

作者： Jian-Qiang Shen Tian-Tian Zhao Ying-Li Song Lingjuan zhang Ya-Nan Gao Xiao-Nan Cui Peng Zhao xian-Ming zhang Key Laboratory of Magnetic Molecules&Magnetic Information Materials Ministry of EducationSchool of Chemistry&Material ScienceShanxi Normal UniversityTaiyuan 030031China College of Chemistry and Chemical Engineering Taiyuan University of TechnologyTaiyuan 030024China

Metal-organic nanosheets(MONs)as a novel material with tunable pore structures and low mass transfer resistance,have emerged as molecular sieves for the separation of gases and *** theory,they can also serve as ion sieves for lithium metal batteries(LMBs),realizing the high-energy and dendritic free ***,there are rarely relevant reports,because it is difficult to simultaneously balance efficient ion sieving ability,high ion passing rate and high electrochemical ***,we synthesized a stable ultrathin MON[Zn_(2)(Bim)_(4)]([Zn_(2)(Bim)_(4)]Nanosheet,HBim=benzimidazolate),which can achieve both efficient lithium ion sieving ability,high lithium ion passing rate and high electrochemical stability at the same *** separator assembled by this MON exhibits high Li^(+)transfer number of 0.81 due to the accurate lithium ion and anion/solvent *** battery containing such separator shows high lithium ionic conductivity of 0.74 m S cm^(-1)and low activation energy of 0.099 eV,which can be attributed to the nanometer level thickness and the ion sieving *** is more,we realized the application of MONs-based ion sieves in LMBs with intercalation cathodes for the first *** the LiFePO_(4)|Li battery with as-assembled separator demonstrates improved Coulombic efficiency(>99%)and significantly extended cycling life(>1600 cycles)with 80%capacity retention.

关键词： lithium sieving membrane metal-organic nanosheets lithium metal battery lithium ion and anion separation lithium ion and solvent separation

Analysis of debris flow control effect and hazard assessment in Xinqiao Gully,Wenchuan M_(s)8.0 earthquake area based on numerical simulation

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china Geology 2024年第2期7卷 248-263页

作者： Chang Yang Yong-bo Tie xian-zheng zhang Yan-feng zhang Zhi-jie Ning Zong-liang Li chinese Academy of Geological Sciences Beijing 100037China Chengdu Center of china Geological Survey China Geological SurveyChengdu 610081China Technology innovation center for risk prevention and mitigation of geohazard Ministry of Natural ResourcesChengdu 611734China Observation and Research Station of Chengdu Geological Hazards Ministry of Natural ResourcesChengdu 610000China

Xinqiao Gully is located in the area of the 2008 Wenchuan M_(s)8.0 earthquake in Sichuan province,*** on the investigation of the 2023"6-26"Xinqiao Gully debris flow event,this study assessed the effectiveness of the debris flow control project and evaluated the debris flow *** field investigation and numerical simulation methods,the indicators of flow intensity reduction rate and storage capacity fullness were proposed to quantify the effectiveness of the engineering measures in the debris flow *** simulation results show that the debris flow control project reduced the flow intensity by41.05%to 64.61%.The storage capacity of the dam decreases gradually from upstream to the mouth of the gully,thus effectively intercepting and controlling the debris *** evaluating the debris flow of different recurrence intervals,further measures are recommended for managing debris flow events.

关键词： Landslide Debris flow Hazard assessment Numerical simulation OpenLISEM Prevention and control project Wenchuan M_(s)8.0 earthquake Xinqiao Gully Sichuan province Geological hazards survey engineering

Dietary polyphenols reduced the allergenicity ofβ-lactoglobulin via non-covalent interactions:a study on the structure-allergenicity relationship

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Food Science and Human Wellness 2024年第5期13卷 2617-2628页

作者： chi zhang Qiaozhi zhang Huatao Li Zhouzhou Cheng Shiyu Fan Hujun Xie Zhongshan Gao Yan zhang Linglin Fu School of Food Science and Biotechnology Zhejiang Gongshang UniversityHangzhou 310018China Allergy Research Center Zhejiang UniversityHangzhou 310018China Hebei Food Inspection and Research Institute Hebei Food Safety Key LaboratoryKey Laboratory of Special Food Supervision Technology for State Market RegulationHebei Engineering Research Center for Special Food Safety and HealthShijiazhuang 050227China

Studies showed that complexation of polyphenols with milk allergens reduced their immunogenic ***,the relationship between structures of polyphenols and their hypoallergenic effects on milk allergens in association with physiological and conformational changes of the complexes remain *** this study,polyphenols from eight botanical sources were extracted to prepare non-covalent complexes withβ-lactoglobulin(β-LG),a major allergen in *** dominant phenolic compounds bound toβ-LG with a diminished allergenicity were identified to investigate their respective role on the structural and allergenic properties ofβ-*** from Vaccinium fruits and black soybeans were found to have great inhibitory effects on the IgE-and IgG-binding abilities ofβ-*** the fourteen structure-related phenolic compounds,flavonoids and tannins with larger MWs and multi-hydroxyl substituents,notably rutin,EGCG,and ellagitannins were more potent to elicit changes on the conformational structures ofβ-LG to decrease the allergenicity of complexedβ-*** analysis further demonstrated that a destabilized secondary structure and protein depolymerization caused by polyphenol-binding were closely related to the allergenicity property of formed *** study provides insights into the understanding of structure-allergenicity relationship ofβ-LG-polyphenol interactions and would benefit the development of polyphenol-fortified matrices with hypoallergenic potential.

关键词： Cow’s milk allergy β-Lactoglobulin Protein-polyphenol interaction Allergenicity Conformational structure