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The Effect of In situ Melt Pre-shear Induced Oriented Precursors on the Crystallization of Poly(1-butene)/Polypropylene Blends

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Chinese Journal of Polymer Science 2024年第12期42卷 2011-2020,I0012页

作者： Wen-Kang Wei Jing-Jing Zhao Chen-Guang Liu Dong Wang Ai-Hua He Shandong Provincial Key Laboratory of Olefin Catalysis and Polymerization Key Laboratory of Rubber-Plastics(Ministry of Education)School of Polymer Science and EngineeringQingdao University of Science and TechnologyQingdao266042China State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing100029China

Melt pre-shear induced crystallization of polymer blends holds great significance in industrial processing and product *** this work,two typical PB/PP blends(50/50,90/10),possessing commercial value and academic hotspot,were employed to investigate the effect of melt pre-shear on the crystallization of isotactic poly(1-butene)(PB)and polypropylene(PP)by applying shearing slightly above the melting temperature of PP with subsequent non-isothermal crystallization to simulate actual processing *** was discovered that in PB/PP(90/10)blend,in situ melt pre-shear generated oriented PP precursors induced the formation of PP-FIC(Flow-induced crystallization)which acted as row crystal nucleus significantly promoting PB crystallization into spherulite with higher melting temperatures(T_(m)),crystallinity(X_(c)),and thicker lamellar thickness(d_(c)).While in PB/PP(50/50)blend,the melt pre-shear generated PP-shish precursors induced the formation of PP shish-kebab that exerted a confining effect on the crystal growth of PB,resulting in truncated spherulite formation with higher T_(m) and thicker d_(c) but lower X_(c).This research provides insight into the mechanism underlying oriented crystal structure formation,crystal properties,and phase morphology of PB/PP blends under melt pre-shear fields,which have significant theoretical and practical implications for their industrial processing and preparation of high-performance products.

关键词： Meltpre-shear PB/PPblends Precursors Crystallization

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Toward the rational design for low-temperature hydrogenation of silicon tetrachloride:Mechanism and data-driven interpretable descriptor

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Chinese Journal of chemical engineering 2025年第3期79卷 172-184页

作者： Zhe Ding Li Guo Fang Bai Chao Hua Ping Lu Jinyi Chen Key Laboratory of Green Process and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China Hubei Three Gorges Laboratory Yichang 443000China State Key Laboratory of Petroleum Molecular&Process Engineering Beijing 100190China

Low-temperature hydrogenation of silicon tetrachloride(STC)is an essential step in polysilicon *** addition of CuCl to silicon powder is currently a commonly used catalytic method and the silicon powder acts as both a reactant and a ***,the reaction mechanism and the structure-activity relationship of this process have not been fully *** this work,a comprehensive study of the reaction mechanism in the presence of Si and Cu_(3)Si was carried out using density functional theory(DFT)combined with experiments,*** results indicated that the ratedetermining step(RDS)in the presence of Si is the phase transition of Si atom,meanwhile,the RDS in the presence of Cu_(3)Si is the TCS-generation *** activation barrier of the latter is smaller,highlighting that the interaction of Si with the bulk phase is the pivotal factor influencing the catalytic *** feasibility of transition metal doping to facilitate this step was further *** Si disengage energy(E_(d))was used as a quantitative parameter to assess the catalytic activity of the catalysts,and the optimal descriptor was determined through interpretable machine *** was demonstrated that d-band center and electron transfer play a crucial role in regulating the level of *** work reveals the mechanism and structure-activity relationship for the low-temperature hydrogenation reaction of STC,and provides a basis for the rational design of catalysts.

关键词： Silicon tetrachloride Hydrogenation Reaction mechanism Interpretable machine learning Catalyst Structure-activity relationship

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Polymeric assembled nanoparticles through kinetic stabilization by confined impingement jets dilution mixer for fluorescence switching imaging

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Chinese Journal of chemical engineering 2023年第4期56卷 89-96页

作者： Jingran Liu Yue Wu Jie Tang Tao Wang Feng Ni Qiumin Wu Xijiao Yang Ayyaz Ahmad Naveed Ramzan Yisheng Xu State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai 200237China Shanghai Shyndec Pharmaceutical Co. LtdShanghai 200040China Department of Chemical Engineering Muhammad Nawaz Sharif University of Engineering and TechnologyMultanPakistan Faculty of Chemical Metallurgicaland Polymer EngineeringUniversity of Engineering&TechnologyLahorePakistan

Traditional fluorescence switching molecules achieving the state change between on and off states commonly based on UV irradiation. However, it is worth noting that UV irradiation is harmful to both the cancer cells and the normal cells. To achieve fluorescence switching under visible wavelength and avoid complicate molecular design, a fluorophore of 2,4,5,6-tetrakis(carbazol-9-yl)-1,3-dicyanobenzene(4Cz IPN) and a quencher of diarylethene(DAE) were physically incorporated within the biocompatible block copolymer poly(lactic-co-glycolic acid)-b-poly(ethylene glycol)(PLGA-b-PEG) to form 4Cz IPNDAE nanoparticles(NPs) through flash nanoprecipitation(FNP). By using the FNP method, the NPs were prepared within milliseconds in a confined impingement jets dilution(CIJ-D) mixer. Quenching and recovery of fluorescence could achieve in the presence of DAE under 475 nm and 560 nm *** structure and fluorescent properties of the nanoparticles can be tuned by external conditions for their efficient fluorescence resonance energy transfer(FRET) in a kinetic stabilization process. This NPs formation process was further optimized by varying the dilution ratio, Reynolds number(Re) and polymer concentration to modulate the mixing and particle nucleation and growth process. The size and fluorescence switching properties of the NPs were systematically investigated in solution and in cellular uptake experiments. This work is anticipated to provide a simple and highly effective engineering strategy for the modulation of fluorescence switching nanoparticles and beneficial to its engineering application.

关键词： Preparation Kinetic stabilization Flash nanoprecipitation Nanoparticles Fluorescence switch

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Deciphering Mechanisms of CO2-Selective Recognition over Acetylene within Porous Materials

Chem and Bio Engineering

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Chem and Bio engineering 2024年第5期1卷 366-380页

作者： Zhang, Zhaoqiang Zhao, Dan Department of Chemical and Biomolecular Engineering National University of Singapore Singapore117585 Singapore State Key Laboratory of Coordination Chemistry School of Chemistry and Chemical Engineering Nanjing University Nanjing210023 China

Reverse adsorption of carbon dioxide (CO2) from acetylene (C2H2) presents both significant importance and formidable challenges, particularly in the context of carbon capture, energy efficiency, and environmental sustainability. In this Review, we delve into the burgeoning field of reverse CO2/C2H2 adsorption and separation, underscoring the absence of a cohesive materials design strategy and a comprehensive understanding of the CO2-selective capture mechanisms from C2H2, in contrast to the quite mature methodologies available for C2H2-selective adsorption. Focusing on porous materials, the latest advancements in CO2-selective recognition mechanisms are highlighted. The review establishes that the efficacy of CO2 recognition from C2H2 relies intricately on a myriad of factors, including pore architecture, framework flexibility, functional group interactions, and dynamic responsive behaviors under operating conditions. It is noted that achieving selectivity extends beyond physical sieving, necessitating meticulous adjustments in pore chemistry to exploit the subtle differences between CO2 and C2H2. This comprehensive overview seeks to enhance the understanding of CO2-selective recognition mechanisms, integrating essential insights crucial for the advancement of future materials. It also lays the groundwork for innovative porous materials in CO2/C2H2 separation, addressing the pressing demand for more efficient molecular recognition within gas separation technologies. © 2024 The Authors. Co-published by Zhejiang University and American chemical Society.

关键词： Carbon capture and utilization

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A strategy to improve the robustness of bound states in the continuum

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Nano Research 2025年第2期18卷 826-832页

作者： Peiwen Ren Zhuo Huang Renxian Gao Xiaoxiang Dong Guoya Sun Jian-Feng Li Zhilin Yang College of Physical Science and Technology State Key Laboratory of Physical Chemistry of Solid SurfacesCollege of Chemistry and Chemical EngineeringCollege of EnergyXiamen UniversityXiamen 361005China

Bound states in the continuum(BICs)supported by dielectric metasurfaces have significantly propelled the progress in optical technologies,notably for manipulating potent light-matter ***,achieving a robust quasi-BIC mode with high Q factor by adjusting geometric parameters remains a challenge,primarily the Q factors strongly depend on the asymmetricparameters andthestringentfabrication ***,we propose a novel strategy to enhance the robustness of the Q factor through the continuous excitation of the magnetic dipole mode with low energy *** a specialized multi-cell structure,the nanoarrays can continuously excite the magnetic dipoles contributed by different structural components over a broad range of geometrical parameters,exhibiting exceptional robustness and high quality *** work provides a theoretical scheme that offers new directions for obtaining robust high Q resonances and developing potential applications for high-performance optical devices.

关键词： bound states in the continuum(BICs) all-dielectric nanostructures magnetic dipole electric dipole robust high Q factor

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Achieving high-energy-density crown-like polymeric nitrogen cr-N via chelate CeN8

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Science China Chemistry 2025年第6期68卷 2433-2440页

作者： Yuanyuan Wang Hongpeng Zhang Shuang Liu Huimin Zhang Peng Wang Wencai Yi Zhen Yao Nan Li Xiaobing Liu Bingbing Liu State Key Laboratory of Superhard Materials College of Physics Jilin University Laboratory of High Pressure Physics and Material Science School of Physics and Physical Engineering Qufu Normal University State Key Laboratory of Explosion Science and Technology School of Mechatronical Engineering Beijing Institute of Technology

Polymeric nitrogen materials are the crown of high energy density materials due to their environmental friendliness. Here, we proposed a general strategy to achieve crown-like polymeric nitrogen（cr-N） by combining high-pressure and chemical exfoliation methods. Using the first-principle structure search, we demonstrated that the cerium（Ce） atoms can effectively open the N≡N bond of N2at a moderate pressure of 25.7 GPa, and then the layered chelate P1-CeN8with the crown-like N18ring is formed via the ligand effect of metallic Ce. Interestingly, when released to ambient conditions, P1-CeN8can still maintain good stability due to robust N–N bonds; meanwhile, the interaction strength between the Ce atoms and N18ring decreases. As a result,Ce atoms can be selectively removed by alkaline anions, and the dynamic progresses are presented, which is similar to the synthesis of MXenes via the alkali intercalation exfoliation method, and then crown-like polymeric nitrogen cr-N is formed. The cr-N is proved to be dynamically, mechanically, and thermally stable at ambient conditions. Moreover, the excellent gravimetric energy density, detonation pressure, and detonation velocity of cr-N make it a significant high-energy density material. This work opens a new general avenue to realize polymeric nitrogen via high-pressure and chemical exfoliation methods.

关键词： first-principles calculations chemical exfoliation polymeric nitrogen high energy density

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Metal-Organic Framework Nanozyme Enabling Dual-Functional Photo-lnduced Charge Transfer and Biomimetic Precipitation for Advanced Organic Photoelectrochemical Transistor Bioanalysis

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Chinese Journal of Chemistry 2024年第17期42卷 1999-2004页

作者： Ke-Xin Xu Cheng Yuan Hao Lou Feng-Zao Chen Ling Zhang Guangxu Chen De-Man Han Wei-Wei Zhao state Key Laboratory of Analytical Chemistry for Life Science School of Chemistry and Chemical EngineeringNanjing UniversityNanjingJiangsu210023China School of Pharmaceutical and Chemical Engineering Taizhou UniversityTaizhouJjiangsu 318000China School of Environment and Energy State Key Laboratory of Luminescent Materials and DevicesGuangdong Provincial Key Laboratory of Atmospheric Environment and Pollution ControlSouth China University of TechnologyGuangzhouGuangdong 510006China

We report herein the first observation of MoF nanozyme enabling dual-functional photo-induced charge transfer and biomimetic precipitation for advanced organic photoelectrochemical transistor(OPECT)***,Fe/Co-MIL-88,serving simultaneously as the semiconductor and nanozyme,was explored as a dual-functional gating module in *** light llumination,it could accelerate the charge transfer of the photogate to produce enhanced photo-induced ***,its catalytic property could efficiently produce biomimetic precipitation to block the nanopores in Fe/Co-MIL-88 and thus alter the device characteristics.

关键词： Metal-organic frameworks Nanozymes Organic transistor Photoelectrochemical Biosensing Electrodes

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Synthesis and ultraviolet/aggregation-induced emission investigation of novel tetraphenylvinyl hydrazone derivatives: efficient multimodal chemosensors for fluoride ion

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Frontiers of chemical Science and engineering 2023年第12期17卷 2061-2073页

作者： Wenting Yin Linqi Shi Mengjiao Liang Yaodong Huang Junjiao Yang Key Laboratory of Systems Bioengineering(Ministry of Education) School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300350China Analysis and Test Center of Beijing University of Chemical Technology Beijing University of Chemical TechnologyBeijing 100029China

Herein,three novel tetraphenylethylene hydrazone chemosensors TC12,SC16,and TC16 are prepared for the selective detection of F−.Two NH and one C=N units are incorporated into the sensors for better colorimetric responses,whereas the tetraphenyl unit is in charge of the aggregation-induced emission *** them,compounds SC16 and TC16 form stable gels with some organic *** the tetrahydrofuran/H2O solutions of the three compounds exhibit aggregation-induced emission effect,whereby the fluorescence emission increases by varying degrees with the volume of poor solvent ***,good aggregation-induced emission effects are observed in the self-assembly of SC16 and *** a sample chemosensor,TC12 in tetrahydrofuran responds to F−selectively with high sensitivity,with the colorimetric and fluorometric detection limits of 8.25×10^(−7) mol·L^(-1) and 2.69×10^(−7) mol·L^(-1),*** reversible gel-sol-gel phase transition and color changes indicate that both SC16-dimethyl sulfoxide and TC16-ethyl acetate gels specifically respond to F-with good *** detection results are well supported by ultraviolet-visible spectroscopy,fluorescent spectroscopy,and 1H nuclear magnetic *** importantly,the driving forces of gelation are visually clarified through the single crystal X-ray analysis of compound TOMe.

关键词： organogelator tetraphenylvinyldrazone single crystal aggregation-induced emission effect ion sensing

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Pt-Ni core-shell structure with Pt-skin and electronic effect on catalytic performance

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Chinese Journal of chemical engineering 2023年第11期63卷 260-267页

作者： Chong Yao Dandan Ma Jie Luo Yixin Chen Min Tian Haoxuan Xie Chunshan Lu Feng Feng Xiaoliang Xu Qingtao Wang Qunfeng Zhang Xiaonian Li State Key Laboratory Breeding Base of Green Chemistry Synthesis Technology College of Chemical EngineeringZhejiang University of TechnologyHangzhou 310014China

In order to improve the catalytic performance of the nitrobenzene hydrogenation rearrangement to prepare p-aminophenol,a bimetallic Pt-Ni/C(PNC)catalyst was *** advantage of the synergistic effect of Ni and Pt to enhance product selectivity and catalytic performance stability,the electrons in Ni are moved to Pt by the electron effect,which affects the catalyst’s ability to activate H_(2)as well as the amount of hydrogen ***,due to the strong Pt(5d)-Ni(3d)coupling effect,Ni can effectively maintain Pt stability in the acidic system and reduce Pt *** stability of the PNC can be found to be greatly enhanced compared to the Pt/C(PC)catalyst,and p-aminophenol selectivity is greatly enhanced,showing excellent catalytic performance.

关键词： Nitrobenzene p-Aminophenol Pt-Ni/C bimetallic catalyst Electronic effect Pt(5d)-Ni(3d)coupling

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Highly electrically conductive MOF/conducting polymer nanocomposites toward tunable electromagnetic wave absorption

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材料科学技术（英文版） 2025年第2期205卷 258-269页

作者： Xin Wu Peiyuan Kang Yinghan Zhang Haocheng Guo Shuoying Yang Qi Zheng Lianjun Wang Wan Jiang State Key Laboratory for Modification of Chemical Fibers and Polymer Materials & College of Materials Science and Engineering Donghua UniversityShanghai 201620China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials & College of Materials Science and Engineering Donghua UniversityShanghai 201620China Engineering Research Center of Advanced Glasses Manufacturing Technology Ministry of EducationDonghua UniversityShanghai 201620China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials & College of Materials Science and Engineering Donghua UniversityShanghai 201620China Institute of Functional Materials Donghua UniversityShanghai 201620China

Metal-organic frameworks(MOFs)have attracted significant interest as self-templates and precursors for the synthesis of carbon-based composites aimed at electromagnetic wave(EMW)***,the utilization of high-temperature treatments has introduced uncertainties regarding the compositions and microstructures of resulting ***,complete carbonization has led to diminished yields of the produced carbon composites,significantly limiting their practical ***,the exploration of pristine MOF-based EMW absorbers presents an intriguing yet challenging endeavor,primarily due to inherently low electrical *** this study,we showcase the utilization of struc-turally robust Zr-MOFs as scaffolds to build highly conductive Zr-MOF/PPy composites via an inner-outer dual-modification approach,which involves the production of conducting polypyrrole(PPy)both within the confined nanoporous channels and the external surface of Zr-MOFs via post-synthetic *** interconnection of confined PPy and surface-lined PPy together leads to a consecutive and extensive conducting network to the maximum *** therefore entails outstanding conductivity up to～14.3 S cm-1 in Zr-MOF/PPy composites,which is approximately 1-2 orders of magnitude higher than that for conductive MOF nanocomposites constructed from either inner or outer *** from the strong and tunable conduction loss,as well as the induced dielectric polarization originated from the porous structures and MOF-polymer interfaces,Zr-MOF/PPy exhibits excellent microwave attenuation capabilities and a tunable absorption frequency ***,with only 15 wt.％loading,the mini-mum reflection loss(RLmin)can reach up to-67.4 dB,accompanied by an effective absorption bandwidth(EAB)extending to 6.74 ***,the microwave absorption characteristics can be tailored from the C-band to the Ku-band by adjusting the loading of *** work provide

关键词： Conductive mof nanocomposites Electromagnetic wave absorption MOF/conducting polymer Electrical conductivity Zr-MOF/PPy

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