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Particuology 2024年第8期91卷 260-267页

作者： Tom Lang Jens Bartsch Laboratory of Solids process Engineering Department of Biochemical and Chemical EngineeringTU Dortmund University44227DortmundGermany

In comparison to the established twin-screw machines,the application of a planetary roller granulator for continuous operation of melt granulation is a promising alternative based on the unique process *** initial study focused on the material transport during processing as a key driver for the overall ***,the impact of direct process parameters on the residence time distribution was the main *** investigations are complemented in this study by considering the free processing volume,which is defined by the number of planetary spindles applied within a *** impact on the processing conditions is evaluated with respect to the process setting in terms of feed rate and rotation *** results highlight the potential of altering the underlying transport function in planetary roller melt granulation(PRMG)via the investigated direct process and equipment *** impact of the feed rate is lower in comparison,while a higher rotation speed as well as a higher free processing volume promote material ***,a normalization of the determined residence time distribution(RTD)model data was feasible with respect to the process settings and the number of applied planetary spindles in the processing *** demonstrates the key role of the free processing volume in the fundamental mechanisms of material transport and mixing during PRMG.

关键词： Continuous manufacturing Melt granulation Planetaryroller granulator Quality-by-Design Residence time Material mixing

Automatic Requirement Dependency Extraction Based on Integrated Active Learning Strategies

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Machine Intelligence Research 2024年第5期21卷 993-1010页

作者： Hui Guan Guorong Cai Hang Xu department of Computer Science and Technology Shenyang University of Chemical TechnologyShenyang110142China Key Laboratory of Industrial Intelligence Technology on chemical process Shenyang110142China

Since requirement dependency extraction is a cognitively challenging and error-prone task,this paper proposes an automatic requirement dependency extraction method based on integrated active learning *** this paper,the coefficient of variation method was used to determine the corresponding weight of the impact factors from three different angles:uncertainty probability,text similarity difference degree and active learning variant prediction divergence *** combining the three factors with the proposed calculation formula to measure the information value of dependency pairs,the top K dependency pairs with the highest comprehensive evaluation value are selected as the optimal *** the optimal samples are continuously added into the initial training set,the performance of the active learning model using different dependency features for requirement dependency extraction is rapidly ***,compared with other active learning strategies,a higher evaluation measure of requirement dependency extraction can be achieved by using the same number of ***,the proposed method using the PV-DM dependency feature improves the weight-F1 by 2.71%,the weight-recall by 2.45%,and the weight-precision by 2.64%in comparison with other strategies,saving approximately 46%of the labelled data compared with the machine learning approach.

关键词： Requirement dependency dependency extraction dependency features integrated active learning strategies coefficient of variation

Recent Advances in Catalytic Carbonylation Reactions in Alternative Reaction Media

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Chinese Journal of Chemistry 2024年第4期42卷 406-429页

作者： Csaba Árvai László T.Mika department of chemical and Environmental process Engineering Faculty of Chemical Technology and BiotechnologyBudapest University of Technology and EconomicsMűegyetem rkp.3H-1111 BudapestHungary

Since the discovery of the hydroformylation(oxo-synthesis or Roelen reaction)and the Reppe-reaction,the transition metal-catalyzed carbonylation reactions,providing versatile,facile,and even atom-economic methods for the selective incorporation of C=O functionality to various skeletons,have gained tremendous importance in synthetic organic chemistry from laboratories to industrial *** carbonylation of carbon-carbon multiple bonds,aromatic halides,triflates,etc.,in the presence of various nucleophiles has led the way to produce aldehydes,carboxylic acids,esters,amides,etc.,in the fine chemical ***,these protocols usually proceed in conventional,fossil-based,and usually toxic reaction ***,several attempts have been directed to developing efficient carbonylation methods in alternative,less harmful,non-fossil-based and even in renewable reaction *** this review,we overview the recent applications of alternative solvents such as water,biomass-based alcohols,γ-valerolactone(GVL),2-methyltetrahydrofuran(2-MeTHF),ionic liquids(ILs),deep eutectic solvents(DES),alkyl levulinates,limonene,α-pinene,and dimethyl carbonate as well as fluorous media to improve efficiency,safety and environmentally benign nature of carbonylation protocols.

关键词： Carbonylation Catalysis Solvents Green chemistry Carbon monoxide Transition metals Homogeneous catalysis Palladium

Cobalt-nitrogen co-doped porous carbon sphere as highly efficient catalyst for liquid-phase cyclohexane oxidation with molecular oxygen and the active sites investigation

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Frontiers of chemical Science and Engineering 2024年第3期18卷 101-112页

作者： Lei Chen Yuan Sun Jinshan Chi Wei Xiong Pingle Liu Fang Hao College of chemical Engineering National&Local United Engineering Research Centre for Chemical Process Simulation and IntensificationXiangtan UniversityXiangtan411105China

The selective oxidation of cyclohexane to cyclohexanone and cyclohexanol(KA oil)is a challenging issue in the chemical *** present the industrial conversion of cyclohexane to cyclohexanone and cyclohexanol is normally controlled at less than 5%***,the development of highly active and stable catalysts for the aerobic oxidation of cyclohexane is necessary to overcome this low-efficiency ***,we have developed a cobalt-nitrogen co-doped porous sphere catalyst,Co-NC-x(x is the Zn/Co molar ratio,where x=0,0.5,1,2,and 4)by pyrolyzing resorcinol-formaldehyde resin *** achieved 88.28%cyclohexanone and cyclohexanol selectivity and a cyclohexane conversion of 8.88%under *** results showed that the introduction of zinc effectively alleviated the aggregation of Co nanoparticles and optimized the structural properties of the *** addition,Co0 and pyridinic-N are proposed to be the possible active species,and their proportion efficiently increased in the presence of Zn^(2+)*** this study,we developed a novel strategy to design highly active catalysts for cyclohexane oxidation.

关键词： KA oil production cyclohexane selective oxidation cobalt-nitrogen co-doped porous carbon spheres metal-organic framework

Event-triggered sliding mode control of linear repetitive processes and its application in metal rolling process

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Science China(Information Sciences) 2024年第3期67卷 167-181页

作者： Xinyu LV Yugang NIU James LAM Key Laboratory of Smart Manufacturing in Energy chemical process (East China University of Science and Technology) Ministry of Education department of Mechanical Engineering The University of Hong Kong

This paper investigates the design problem of a sliding mode controller for linear repetitive processes(LRPs) with a finite pass length on each pass. Under limited communication resources, an eventtriggered mechanism is implemented from the sensors to the controller, whose triggered sequence is consistent with the evolution direction of LRPs. To periodically orchestrate communication between the controller and actuator, a round-robin scheduling mechanism is established based on the pass length. A sliding function involving the state and pass profile is constructed, and the sliding mode controller is designed using triggered states and pass profile signals. Feasible controller gains are attained to ensure the stability of the resultant closed-loop system. Finally, the proposed strategy is implemented for a multi-roll metal rolling process.

关键词： event-triggered mechanism linear repetitive processes metal rolling process round-robin scheduling sliding mode control

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Synthesis of spherical nano-ZSM-5 zeolite with intergranular mesoporous for alkylation of ethylbenzene with ethanol to produce m-diethylbenzene

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Chinese Journal of chemical Engineering 2024年第3期67卷 298-309页

作者： Siyue Wang Jinhong Li Qingxin Xu Shengjie Song Yu'ni Jiang Lidong Chen Xin Shi Weiguo Cheng Faculty of Chemistry and chemical Engineering Liaoning Normal UniversityDalian 110629China Beijing Key Laboratory of Ionic Liquids Clean process Key Laboratory of Green Process and EngineeringInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China

Catalytic synthesis of m-diethylbenzene(m-DEB)through alkylation of ethylbenzene(EB)may be a promising alternative route in comparison with traditional rectification of mixed DEB,for which the top priority is to develop efficient and stable heterogeneous ***,the spherical nano-ZSM-5 zeolite with abundant intergranular mesoporous is synthesized by the seed-mediated growth method for alkylation of EB with ethanol to produce *** results show that the spherical nano-ZSM-5 zeolite exhibits better stability and higher alkylation activity at a lower temperature than those of commercial micropore *** then,the spherical nano-ZSM-5 is further modified by La_(2)O_(3) through acid treatment followed by immersion *** acid treatment causes nano-ZSM-5 to exhibit the increased pore size but decreased the acid sites,and subsequent La_(2)O_(3) loading reintroduces the weak acid *** a result,the HNO_(3)-La_(2)O_(3)-modified catalyst exhibits a slight increase in EB conversion and DEB yield in comparison with unmodified one,and meanwhile,it still maintains high m-DEB *** catalyst after acid treatment achieves higher catalytic stability besides maintaining the high alkylation activity of EB with *** present study on the spherical nano-HZSM-5 zeolite and its modification catalyst with excellent alkylation ability provides new insights into the production of mDEB.

关键词： Zeolite Modification Alkylation reaction m-diethylbenzene Catalyst Fixed-bed

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Intelligent gold nanocluster for effective treatment of malignant tumor via tumor-specific photothermal–chemodynamic therapy with AIE guidance

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National Science Review 2024年第5期11卷 326-342页

作者： Feng Liu Tianfeng Yang Xiaowei Chang Li Chen Cheng Cheng Xiuhong Peng Haihu Liu Yanmin Zhang Xin Chen School of Energy and Power Engineering Xi'an Jiaotong University department of chemical Engineering Shaanxi Key Laboratory of Energy Chemical Process IntensificationInstitute of Polymer Science in Chemical Engineering School of Chemical Engineering and Technology Xi'an Jiaotong University School of Pharmacy Health Science Center Xi'an Jiaotong University

Precise and efficient therapy of malignant tumors is always a challenge. Herein, gold nanoclusters co-modified by aggregation-induced-emission（AIE） molecules, copper ion chelator（acylthiourea） and tumor-targeting agent（folic acid） were fabricated to perform AIE-guided and tumor-specific synergistic therapy with great spatio-temporal controllability for the targeted elimination and metastasis inhibition of malignant tumors. During therapy, the functional gold nanoclusters（Au NTF） would rapidly accumulate in the tumor tissue due to the enhanced permeability and retention effect as well as folic acid-mediated tumor targeting, which was followed by endocytosis by tumor cells. After that, the overexpressed copper ions in the tumor cells would trigger the aggregation of these intracellular Au NTF via a chelation process that not only generated the photothermal agent in situ to perform the tumor-specific photothermal therapy damaging the primary tumor, but also led to the copper deficiency of tumor cells to inhibit its ***, the copper ions were reduced to cuprous ions along with the chelation, which further catalysed the excess H2O2in the tumor cells to produce cytotoxic reactive oxygen species, resulting in additional chemodynamic therapy for enhanced antitumor efficiency. The aggregation of Au NTF also activated the AIE molecules to present fluorescence, which not only imaged the therapeutic area for real-time monitoring of this tumor-specific synergistic therapy, but also allowed us to perform near-infrared radiation at the correct time point and location to achieve optimal photothermal therapy. Both in vitro and in vivo results revealed the strong tumor elimination, effective metastasis inhibition and high survival rate of tumor-bearing mice after treatment using the Au NTF nanoclusters, indicating that this AIE-guided and tumor-specific synergistic strategy could offer a promising approach for tumor therapy.

关键词： AIE-guided precise tumor treatment copper-dependent photothermal therapy copper-triggered chemodynamic therapy primary tumor elimination copper-plunder-induced metastasis inhibition

Nickel-based cerium zirconate inorganic complex structures for CO_(2)valorisation via dry reforming of methane

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Journal of Environmental Sciences 2024年第6期140卷 12-23页

作者： Juan Luis Martín-Espejo Loukia-Pantzechroula Merkouri Jesús Gándara-Loe José Antonio Odriozola Tomas Ramirez Reina Laura Pastor-Pérez department of Inorganic Chemistry and Material Sciences Institute of Seville University of Seville-CSICSeville 41092Spain department of chemical and process Engineering University of SurreyGuildford GU27XHUnited Kingdom

The increasing anthropogenic emissions of greenhouse gases(GHG)is encouraging extensive research in CO_(2)*** reforming of methane(DRM)depicts a viable strategy to convert both CO_(2)and CH4into syngas,a worthwhile chemical *** the different active phases for DRM,the use of nickel as catalyst is economically favourable,but typically deactivates due to sintering and carbon *** stabilisation of Ni at different loadings in cerium zirconate inorganic complex structures is investigated in this work as strategy to develop robust Ni-based DRM *** and TPR-H2analyses confirmed the existence of different phases according to the Ni loading in these ***,superficial Ni is observed as well as the existence of a CeNiO_(3)perovskite *** catalytic activity was tested,proving that 10 wt.%Ni loading is the optimum which maximises *** catalyst was also tested in long-term stability experiments at 600and 800℃in order to study the potential deactivation issues at two different *** 600℃,carbon formation is the main cause of catalytic deactivation,whereas a robust stability is shown at 800℃,observing no sintering of the active phase evidencing the success of this strategy rendering a new family of economically appealing CO_(2)and biogas mixtures upgrading catalysts.

关键词： CO_(2)conversion Dry reforming of methane Nickel catalysts Pyrochlore Cerium zirconate

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Zincophilic Ti_(3)C_(2)Cl_(2)MXene and anti-corrosive Cu NPs for synergistically regulated deposition of dendrite-free Zn metal anode

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Journal of Materials Science & Technology 2024年第2期169卷 137-147页

作者： Yunfei Shen Yi Liu Kaisheng Sun Tiantian Gu Gang Wang Yue Yang Jianxiang Pang Yang Zheng Xiaodong Yang Long Chen Key Laboratory for Green process of chemical Engineering of Xinjiang Bingtuan School of Chemistry and Chemical EngineeringShihezi UniversityShihezi 832003China Institute for Chemistry Chemnitz University of TechnologyChemnitz 09107Germany CAS Key Laboratory of Functional Materials and Devices for Special environments Xinjiang Key Laboratory of Electronic Information Materials and DevicesCenter of Materials Science and Optoelectronics EngineeringXinjiang Technical Institute of Physics and Chemistry of CASUrumqi 830011China Key Laboratory of Ecophysics and department of Physics College of ScienceShihezi UniversityShihezi 832003China

Dendrites growth,chemical corrosion,and hydrogen evolution reaction(HER)on zinc anodes are the main barriers for the development of aqueous zinc-ion batteries(AZIBs).Constructing interfacial protec-tive layer is an effective way to alleviate the side reactions on the ***,Cu/Ti_(3)C_(2)Cl_(2)MXene(CMX)with high zincophilic and hydrophobic property is prepared by the lewis molten salts etching method,and the CMX interface protection layer is constructed by a simple spin *** CMX coat-ing layer can provide abundant nucleation sites and uniformize the charge distribution through the zin-cophilic Ti_(3)C_(2)Cl_(2)MXene matrix,leading to homogenous Zn *** addition,the hydrophobic coat-ing contained anti-corrosive Cu nanoparticles can prevent the Zn anode from the electrolyte,beneficial for suppressing the chemical corrosion and ***,the stable and reversible Zn plating/stripping is achieved for the Zn anode coated by the CMX,which exhibits the lifespan of over 1400 h at 0.5 mA cm^(−2),and even can steadily run for 700 h with 65 mV at 10 mA cm^(−2).Furthermore,CMX@Zn shows a high coulombic efficiency of over 100%for 3800 cycles,which indicates that the CMX@Zn electrode has excellent stability and reversibility of Zn stripping/*** full batteries assembled with ZnCoMnO/C(ZCM)cathodes also exhibits higher capacity(450.6 mAh g^(−1)at 0.1 A g^(−1))and cycle stability(capacity retention of 70%after 1500 cycles).This work enhanced the lifespan of AZIBs and broaden the research of multifunctional coating layer to other secondary batteries based on metal anodes.

关键词： Zinc anode Spin coating Zincophilic MXene Anti-corrosive Cu NPs Multifunctional coating

Iron-based layered double hydroxide packed with metal-organic frameworks for enhanced overall water-splitting electrocatalysis

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Tungsten 2024年第4期6卷 859-868页

作者： Long Chen Yun Luo Zhi-Peng Yu Yi-Kun Cheng Yang Zheng Li He Jia-Hao Xiong Wen-Wen Kong Key Laboratory for Green process of chemical Engineering of Xinjiang Bingtuan School of Chemistry and Chemical Engineering Shihezi University Institute of Scientific Research Luzhou North Chemistry Industry Co.Ltd International Iberian Nanotechnology Laboratory (INL) CAS Key Laboratory of Functional Materials and Devices for Special environments Xinjiang Key Laboratory of Electronic Information Materials and Devices Center of Materials Science and Optoelectronics Engineering Xinjiang Technical Institute of Physics and Chemistry of CAS

Designing hybrid materials with numerous catalytic active sites,high specific surface area,and interfacial interactions is an effective strategy to improve electrocatalytic *** this work,iron-based metal organic frameworks（Fe-MOFs）@（Co,Ni）Fe-layered double hydroxide（LDH） is successfully constructed using the similar "MOF growing on LDH" strategy for oxygen evolution reaction and hydrogen evolution reaction in the alkaline *** synthesized hybrid materials in this particular way show excellent electrochemical overall water-splitting performance with the cell voltage of 1.62 V at10 mA·cm-2in the alkaline environment due to the optimized adsorption/desorption properties of metal ions on oxygencontaining species and interfacial effects of hybrid ***-MOFs@（Co,Ni）Fe-LDH also exhibits excellent hydrogen and oxygen production efficiency of 370 and 175 μL·min-1,*** work draws on an effective approach to the fabrication of MOF@LDH structures and provides new insights into overall water-splitting in alkaline conditions.

关键词： Electrocatalysis Interfacial interactions Layered double hydroxide Metal–organic frameworks (MOFs) Water splitting