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Design and analysis of recurrent neural network models with non-linear activation functions for solving time-varying quadratic programming problems 被引量:11
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作者 Xiaoyan Zhang Liangming Chen +3 位作者 Shuai Li Predrag Stanimirovic Jiliang Zhang Long Jin 《CAAI Transactions on Intelligence Technology》 EI 2021年第4期394-404,共11页
A special recurrent neural network(RNN),that is the zeroing neural network(ZNN),is adopted to find solutions to time-varying quadratic programming(TVQP)problems with equality and inequality constraints.Howevet,there a... A special recurrent neural network(RNN),that is the zeroing neural network(ZNN),is adopted to find solutions to time-varying quadratic programming(TVQP)problems with equality and inequality constraints.Howevet,there are some weaknesses in activation functions of traditional ZNN models,including convex restriction and redundant formulation.With the aid of different activation functions,modified ZNN models are obtained to overcome the drawbacks for solving TVQP problems.Theoretical and experimental research indicate that the proposed models are better and more effective at solving such TVQP problems. 展开更多
关键词 activation PROGRAMMING QUADRATIC
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Thermal pretreatment of willow branches impacts yield and pore development of activated carbon in subsequent activation with ZnCl_(2) via modifying cellulose structure
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作者 Linghui Kong Chao Li +7 位作者 Runxing Sun Shu Zhang Yi Wang Jun Xiang Song Hu Dong Wang Chuanjun Leng Xun Hu 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第5期227-237,共11页
Development of pore structures of activated carbon(AC)from activation of biomass with ZnCl_(2) relies on content and structure of cellulose/hemicellulose in the feedstock.Thermal pretreatment of biomass could induce d... Development of pore structures of activated carbon(AC)from activation of biomass with ZnCl_(2) relies on content and structure of cellulose/hemicellulose in the feedstock.Thermal pretreatment of biomass could induce dehydration and/or aromatization to change the structure of cellulose/hemicellulose.This might interfere with evolution of structures of AC,which was investigated herein via thermal pretreatment of willow branch(WB)from 200 to 360℃and the subsequent activation with ZnCl_(2) at 550℃.The results showed that thermal pretreatment at 360℃(WB-360)could lead to substantial pyrolysis to form biochar,with a yield of 31.9%,accompanying with nearly complete destruction of cellulose crystals and remarkably enhanced aromatic degree.However,cellulose residual in WB-360 could still be activated to form AC-360 with specific surface area of 1837.9 m~2·g^(-1),which was lower than that in AC from activation of untreated WB(AC-blank,2077.8 m~2·g^(-1)).Nonetheless,the AC-200 from activation of WB-200 had more developed pores(2113.9 m~2·g^(-1))and superior capability for adsorption of phenol,due to increased permeability of ZnCl_(2) to the largely intact cellulose structure in WB-200.The thermal pretreatment did increase diameters of micropores of AC but reduced the overall yield of AC(26.8%for AC-blank versus 18.0%for AC-360),resulting from accelerated cracking but reduced intensity of condensation.In-situ infrared characterization of the activation showed that ZnCl_(2) mainly catalyzed dehydration,dehydrogenation,condensation,and aromatization but not cracking,suppressing the formation of derivatives of cellulose and lignin in bio-oil.The thermal pretreatment formed phenolic-OH and C=O with higher chemical innerness,which changed the reaction network in activation,shifting morphology of fibrous structures in AC-blank to“melting surface”in AC-200 or AC-280. 展开更多
关键词 Thermal pretreatment activation with ZnCl_(2) Willow branch activated carbon Biochar
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Acid mine drainage activation mechanism on lime-depressed pyrite flotation from copper sulfide ore
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作者 Jia-qiao YUAN Zhan DING +3 位作者 Yun-xiao BI Jie LI Shu-ming WEN Shao-jun BAI 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2024年第9期2987-3001,共15页
The lime-depressed pyrite from Cu differential flotation tailings with acid mine drainage(AMD)as a natural activator was recovered.The effect of AMD on lime-depressed pyrite flotation was investigated by a series of l... The lime-depressed pyrite from Cu differential flotation tailings with acid mine drainage(AMD)as a natural activator was recovered.The effect of AMD on lime-depressed pyrite flotation was investigated by a series of laboratory flotation tests and surface analytical techniques.Flotation test results indicated that AMD could effectively activate the pyrite flotation with a sodium butyl xanthate(SBX)collector,and a high-quality sulfur concentrate was obtained.Pulp ion concentration analysis results indicated that AMD facilitated desorption of Ca^(2+)and adsorption of Cu^(2+)on the depressed-pyrite surface.Adsorption measurements and contact angle analysis results confirmed that adding AMD improved the adsorption amount of SBX collector on the pyrite surface and increased the contact angle by 31°.Results of Raman spectroscopy and X-ray photoelectron spectroscopy analysis indicated that AMD treatment promoted the formation of hydrophobic species(S^(0) hydrophobic entity and copper sulfides)and the removal of hydrophilic calcium and iron species on the pyrite surface,which reinforced the adsorption of collector.The findings of the present research provide important theoretical basis and technical support for a cleaner production of copper sulfide ores. 展开更多
关键词 copper sulfur ore acid mine drainage lime-depressed pyrite FLOTATION natural activator activation mechanism
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Zonal activation of molecular carbon dioxide and hydrogen over dual sites Ni-Co-MgO catalyst for CO_(2) methanation:Synergistic catalysis of Ni and Co species
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作者 Zonglin Li Jianjun Chen +8 位作者 Yu Xie Junjie Wen Huiling Weng Mingxue Wang Jingyi Zhang Jinyan Cao Guocai Tian Qiulin Zhang Ping Ning 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期213-225,共13页
An in-depth mechanism in zonal activation of CO_(2)and H2molecular over dual-active sites has not been revealed yet.Here,Ni-Co-MgO was rationally constructed to elucidate the CO_(2)methanation mechanism.The abundant s... An in-depth mechanism in zonal activation of CO_(2)and H2molecular over dual-active sites has not been revealed yet.Here,Ni-Co-MgO was rationally constructed to elucidate the CO_(2)methanation mechanism.The abundant surface nickel and cobalt components as active sites led to strong Ni-Co interaction with charge transfer from nickel to cobalt.Notably,electron-enriched Coδ-species participated in efficient chemisorption and activation of CO_(2)to generate monodentate carbonate.Simultaneously,plentiful available Ni0sites facilitated H2dissociation,thus CO_(2)and H2were smoothly activated at zones of Coδ-species and Ni0,respectively.Detailed in situ DRIFTS,quasi situ XPS,TPSR,and DFT calculations substantiated a new formate evolution mechanism via monodentate carbonate instead of traditional bidentate carbonate based on synergistic catalysis of Coδ-species and Ni0.The zonal activation of CO_(2)and H2by tuning electron behaviors of double-center catalysts can boost heterogeneous catalytic hydrogenation performance. 展开更多
关键词 Zonal activation CO_(2) methanation Dual active sites Synergistic effect
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Using microglia-derived extracellular vesicles to capture diversity of microglial activation phenotypes following neurological injury
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作者 Austyn D.Roseborough Nikita Ollen-Bittle Shawn NWhitehead 《Neural Regeneration Research》 SCIE CAS CSCD 2024年第8期1633-1634,共2页
Microglia are one of the three glial cell populations in the central nervous system(CNS),along with astrocytes and oligodendrocytes.While microglia are unique among brain cells due to their hematologic origin and perf... Microglia are one of the three glial cell populations in the central nervous system(CNS),along with astrocytes and oligodendrocytes.While microglia are unique among brain cells due to their hematologic origin and perform immune functions similar to peripheral macrophages,they are not simply macrophages of the CNS. 展开更多
关键词 NEUROLOGICAL cytes activation
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Strategies to achieve effective nitrogen activation
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作者 Bin Chang Huabin Zhang +1 位作者 Shuhui Sun Gaixia Zhang 《Carbon Energy》 SCIE EI CAS CSCD 2024年第5期137-163,共27页
Ammonia serves as a crucial chemical raw material and hydrogen energy carrier.Aqueous electrocatalytic nitrogen reduction reaction(NRR),powered by renewable energy,has attracted tremendous interest during the past few... Ammonia serves as a crucial chemical raw material and hydrogen energy carrier.Aqueous electrocatalytic nitrogen reduction reaction(NRR),powered by renewable energy,has attracted tremendous interest during the past few years.Although some achievements have been revealed in aqueous NRR,significant challenges have also been identified.The activity and selectivity are fundamentally limited by nitrogen activation and competitive hydrogen evolution.This review focuses on the hurdles of nitrogen activation and delves into complementary strategies,including materials design and system optimization(reactor,electrolyte,and mediator).Then,it introduces advanced interdisciplinary technologies that have recently emerged for nitrogen activation using high-energy physics such as plasma and triboelectrification.With a better understanding of the corresponding reaction mechanisms in the coming years,these technologies have the potential to be extended in further applications.This review provides further insight into the reaction mechanisms of selectivity and stability of different reaction systems.We then recommend a rigorous and detailed protocol for investigating NRR performance and also highlight several potential research directions in this exciting field,coupling with advanced interdisciplinary applications,in situ/operando characterizations,and theoretical calculations. 展开更多
关键词 activation via mediators catalyst optimization electrochemical nitrogen fixation high-energy activation of nitrogen NITROGEN
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Experimental study on the activation of coal gasification fly ash from industrial CFB gasifiers
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作者 Qiyao Yang Xiaobin Qi +1 位作者 Qinggang Lyu Zhiping Zhu 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第1期8-18,共11页
Coal gasification fly ash(CGFA)is an industrial solid waste from the coal circulating fluidized bed(CFB)gasification process,and it needs to be effectively disposed to achieve sustainable development of the environmen... Coal gasification fly ash(CGFA)is an industrial solid waste from the coal circulating fluidized bed(CFB)gasification process,and it needs to be effectively disposed to achieve sustainable development of the environment.To realize the application of CGFA as a precursor of porous carbon materials,the physicochemical properties of three kinds of CGFA from industrial CFB gasifiers are analyzed.Then,the activation potential of CGFA is acquired via steam activation experiments in a tube furnace reactor.Finally,the fluidization activation technology of CGFA is practiced in a bench-scale CFB test rig,and its advantages are highlighted.The results show that CGFA is characterized by a high carbon content in the range of 54.06%–74.09%,an ultrafine particle size(d50:16.3–26.1 μm),and a relatively developed pore structure(specific surface area SSA:139.29–551.97 m^(2)·g^(-1)).The proportion of micropores in CGFA increases gradually with the coal rank.Steam activation experiments show that the pore development of CGFA mainly includes three stages:initial pore development,dynamic equilibrium between micropores and mesopores and pore collapse.The SSA of lignite fly ash(LFA),subbituminous fly ash(SBFA)and anthracite fly ash(AFA)is maximally increased by 105%,13%and 72%after steam activation;the order of the largest carbon reaction rate and decomposition ratio of steam among the three kinds of CGFA is SBFA>LFA>AFA.As the ratio of oxygen to carbon during the fluidization activation of LFA is from 0.09 to 0.19,the carbon conversion ratio increases from 14.4%to 26.8%and the cold gas efficiency increases from 6.8%to 10.2%.The SSA of LFA increases by up to 53.9%during the fluidization activation process,which is mainly due to the mesoporous development.Relative to steam activation in a tube furnace reactor,fluidization activation takes an extremely short time(seconds)to achieve the same activation effect.It is expected to further improve the activation effect of LFA by regulating the carbon conversion ratio range of 27%–35%to create pores in the initial development stage. 展开更多
关键词 Circulating fluidized bed Coal gasification fly ash Steam activation Pore structure evolution Fluidization activation
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The impact of maternal immune activation on the morphology and electrophysiological properties of postnatally-born neurons in the offspring
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作者 Emilio J.Galván Angelica Zepeda 《Neural Regeneration Research》 SCIE CAS CSCD 2024年第2期399-400,共2页
Pregnancy comes with a combination of physical changes and physiological immunosuppression that increases the susceptibility of women to pathogens and in turn,rises the prevalence of infectious diseases.
关键词 PREVALENCE activation impact
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Tuning beneficial calcineurin phosphatase activation to counterα-synuclein toxicity in a yeast model of Parkinson’s disease
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作者 Srishti Chawla Mikael Molin Thomas Nystrom 《Neural Regeneration Research》 SCIE CAS 2025年第1期199-200,共2页
Calcineurin(CN)is a calcium-and calmodulindependent serine/threonine that has been studied in many model organisms including yeast,filamentous fungi,plants,and mammals.Its biological functions range from ion homeostas... Calcineurin(CN)is a calcium-and calmodulindependent serine/threonine that has been studied in many model organisms including yeast,filamentous fungi,plants,and mammals.Its biological functions range from ion homeostasis and virulence in lower eukaryotes to T-cell activation in humans by human nuclear factors of activated T-cells.CN is a heterodimeric protein consisting of a catalytic subunit,calcineurin A(Cna1p),which contains an active site with a dinuclear metal center,and a regulatory Ca^(2+) binding subunit called calcineurin B(Cnb1p)required to activate Cna1p.The calcineurin B subunit has been highly conserved through evolution:For example,the mammalian calcineurin B shows 54%identity with calcineurin B from Saccharomyces cerevisiae. 展开更多
关键词 activation DINUCLEAR CONSERVED
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Properties of Activated Carbons from Sugarcane Leaves and Rice Straw Derived Charcoals by Activation at Low Temperature via KMnO_(4)Pre-Oxidation-Hydrolysis
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作者 Sumrit Mopoung Narissara Namkaew and Sasiwan Srikasaem 《Journal of Renewable Materials》 EI CAS 2024年第8期1433-1454,共22页
Activated carbon preparation from sugarcane leaves and rice straw by carbonization(250℃–400℃)and activation at 500℃were studied.The effects of pre-oxidation,hydrolysis of derived charcoals by boiled KMnO4 aqueous ... Activated carbon preparation from sugarcane leaves and rice straw by carbonization(250℃–400℃)and activation at 500℃were studied.The effects of pre-oxidation,hydrolysis of derived charcoals by boiled KMnO4 aqueous solution were evaluated.The derived charcoals products were pretreated using oxidation-hydrolysis with 1–5 wt.%KMnO4 at 100℃and then activated at 500℃.The derived charcoal and activated carbon products were characterized by FTIR,XRD,SEM-EDS and BET.Iodine number and methylene blue number of derived products were also used for the analysis of the products.It was found that fabricated charcoal materials made at 350℃–400℃possess good characteristics with low content of surface functional groups and high carbon content.After pre-oxidation-hydrolysis and activation at 500℃,the resulting derived activated carbon materials from charcoals with 400℃carbonization temperature have high content of oxygen containing surface functional groups such as Mn-O,Si-O,Si-O-Si,C-O,or O-H.In addition,MnO_(2) accumulated on the surface of the derived activated carbon products.The surface area and pore volume of the activated carbon products have also increased with increasing of KMnO_(4) concentration from 1 to 3 wt.%and then decreased with 5 wt.%used during activation.Therefore,activated carbon products made by pre-oxidation-hydrolysis with 3 wt.%KMnO_(4) were used for Fe(Ⅲ)adsorption experiments.It was found that Fe(Ⅲ)adsorption on the activated carbon materials can be fitted with both the Freundlich and the Langmuir models.The calculated maximum Fe(Ⅲ)adsorption capacities of sugarcane leaves derived activated carbon and rice straw derived activated carbon products were 50.00 and 39.37 mg/g,respectively.It was shown that the effect of pre-oxidation-hydrolysis by KMnO_(4) and activation at 500℃are beneficial for activated carbon preparation with environmentally friendly and low-cost simplified operation. 展开更多
关键词 activated carbon potassium permanganate pre-oxidation-hydrolysis low carbonization temperature low activation temperature
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Brain-wide activation involved in 15 mA transcranial alternating current stimulation in patients with first-episode major depressive disorder
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作者 Jie Wang Wenfeng Zhao +8 位作者 Huang Wang Haixia Leng Qing Xue Mao Peng Baoquan Min Xiukun Jin Liucen Tan Keming Gao Hongxing Wang 《General Psychiatry》 CSCD 2024年第2期265-273,共9页
Background Although 15 mA transcranial alternating current stimulation(tACS)has a therapeutic effect on depression,the activations of brain structures in humans accounting for this tACS configuration remain largely un... Background Although 15 mA transcranial alternating current stimulation(tACS)has a therapeutic effect on depression,the activations of brain structures in humans accounting for this tACS configuration remain largely unknown.Aims To investigate which intracranial brain structures are engaged in the tACS at 77.5 Hz and 15 mA,delivered via the forehead and the mastoid electrodes in the human brain.Methods Actual human head models were built using the magnetic resonance imagings of eight outpatient volunteers with drug-naïve,first-episode major depressive disorder and then used to perform the electric field distributions with SimNIBS software.Results The electric field distributions of the sagittal,coronal and axial planes showed that the bilateral frontal lobes,bilateral temporal lobes,hippocampus,cingulate,hypothalamus,thalamus,amygdala,cerebellum and brainstem were visibly stimulated by the 15 mA tACS procedure.Conclusions Brain-wide activation,including the cortex,subcortical structures,cerebellum and brainstem,is involved in the 15 mA tACS intervention for first-episode major depressive disorder.Our results indicate that the simultaneous involvement of multiple brain regions is a possible mechanism for its effectiveness in reducing depressive symptoms. 展开更多
关键词 STIMULATION INVOLVEMENT activation
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Study of the reaction mechanism for preparing powdered activated coke with SO_(2)adsorption capability via one-step rapid activation method under flue gas atmosphere
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作者 Binxuan Zhou Jingcai Chang +5 位作者 Jun Li Jinglan Hong Tao Wang Liqiang Zhang Ping Zhou Chunyuan Ma 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第1期158-168,共11页
In this study,the impact of different reaction times on the preparation of powdered activated carbon(PAC)using a one-step rapid activation method under flue gas atmosphere is investigated,and the underlying reaction m... In this study,the impact of different reaction times on the preparation of powdered activated carbon(PAC)using a one-step rapid activation method under flue gas atmosphere is investigated,and the underlying reaction mechanism is summarized.Results indicate that the reaction process of this method can be divided into three stages:stage I is the rapid release of volatiles and the rapid consumption of O_(2),primarily occurring within a reaction time range of 0-0.5 s;stage II is mainly the continuous release and diffusion of volatiles,which is the carbonization and activation coupling reaction stage,and the carbonization process is the main in this stage.This stage mainly occurs at the reaction time range of 0.5 -2.0 s when SL-coal is used as material,and that is 0.5-3.0 s when JJ-coal is used as material;stage III is mainly the activation stage,during which activated components diffuse to both the surface and interior of particles.This stage mainly involves the reaction stage of CO_(2)and H2O(g)activation,and it mainly occurs at the reaction time range of 2.0-4.0 s when SL-coal is used as material,and that is 3.0-4.0 s when JJ-coal is used as material.Besides,the main function of the first two stages is to provide more diffusion channels and contact surfaces/activation sites for the diffusion and activation of the activated components in the third stage.Mastering the reaction mechanism would serve as a crucial reference and foundation for designing the structure,size of the reactor,and optimal positioning of the activator nozzle in PAC preparation. 展开更多
关键词 Reaction mechanism Powdered activated coke preparation SO_(2)adsorption One-step rapid activation Flue gas atmosphere
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Ultra-high specific surface area activated carbon from Taihu cyanobacteria via KOH activation for enhanced methylene blue adsorption
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作者 Yifang Mi Wenqiang Wang +4 位作者 Sen Zhang Yalong Guo Yufeng Zhao Guojin Sun Zhihai Cao 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第3期106-116,共11页
Cyanobacteria-based activated carbon(CBAC)was successfully prepared by pyrolysis-activation of Taihu cyanobacteria.When the impregnation ratio and activated temperature were 2 and 800-C,respectively,the optimal CBACs ... Cyanobacteria-based activated carbon(CBAC)was successfully prepared by pyrolysis-activation of Taihu cyanobacteria.When the impregnation ratio and activated temperature were 2 and 800-C,respectively,the optimal CBACs possessed an ultra-high specific surface(2178.90 m^(2)·g^(-1))and plenty of micro-and meso-pores,as well as a high pore volume(1.01 cm^(3)·g^(-1)).Ascribed to ultra-high surface area,π-π interaction,electrostatic interaction,as well as hydrogen-bonding interactions,the CBACs displayed huge superiority in efficient dye removal.The saturated methylene blue adsorption capacity by CBACs could be as high as 1143.4 mg·g^(-1),superior to that of other reported biomass-activated carbons.The adsorption was endothermic and modeled well by the pseudo-second-order kinetic,intra-particle diffusion,and Langmuir models.This work presented the effectiveness of Taihu cyanobacteria adsorbent ascribed to its super large specific surface area and high adsorption ability. 展开更多
关键词 activated carbon BIOMASS Dye adsorption Taihu cyanobacteria
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Effect of Na_(2)CO_(3)Roasting Activation on Acid Leaching Property of Fly Ash
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作者 LIU Chenjia ZHAO Aichun +4 位作者 YE Xin ZHAO Zi ZHANG Tingan YANG Xiaorong QIN Yanmei 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第6期1613-1620,共8页
By using high-alumina fly ash as raw material,a process was proposed for activating the fly ash with Na_(2)CO_(3)calcination and extracting aluminum from activated clinker with sulfuric acid leaching.The feasibility o... By using high-alumina fly ash as raw material,a process was proposed for activating the fly ash with Na_(2)CO_(3)calcination and extracting aluminum from activated clinker with sulfuric acid leaching.The feasibility of roasting process of activated fly ash by Na_(2)CO_(3)was discussed based on thermodynamic analysis.The experimental results showed that Na_(2)CO_(3)gradually reactes with mullite over 700 K to produce NaAlSiO_(4).The optimal process conditions for the activation stage are:a material ratio of 1:1 between sodium carbonate and fly ash,a calcination temperature of 900℃,and a calcination time of 2.5 hours.Under these conditions,the leaching rate of aluminum is 90.3%.By comparing the SEM and XRD analysis of raw and clinker materials,it could be concluded that the mullite phase of fly ash is almost completely destroyed and transformed into sodium aluminosilicate with good acid solubility. 展开更多
关键词 fly ash calcination activation acid leaching ALUMINUM
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Importance of V^(4)and optimal acid environment in the hydroxylation of inert benzene via activation of C_(sp2)-H bond
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作者 Peng Dong Yang Xin +6 位作者 Yanwei Li Xiaohui Zhang Xiaorui Wang Yu Zhao Dongqiang Zhang Haowen Ma Guixian Li 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第10期216-226,共11页
Hydroxylation of inert benzene through the activation of the C_(sp2)-H bond is a representative reaction about the transformation of CeH bonds to C-O bonds,which has far-reaching guiding significance but remains a cha... Hydroxylation of inert benzene through the activation of the C_(sp2)-H bond is a representative reaction about the transformation of CeH bonds to C-O bonds,which has far-reaching guiding significance but remains a challenging scientific problem.To overcome this problem,a series of VOx-Ga_(2)O_(3)/SiO_(2)-Al_(2)O_(3)were prepared to achieve an efficient and economical hydroxylation path of benzene to phenol.The results showed that the phenol yield was 72.89%(selectivity>98.1%)under the optimum conditions.The reason is that the CeH bond in the benzene ring is activated by heterolysis over a VOx-Ga_(2)O_(3)/SiO_(2)-Al_(2)O_(3)catalyst.Meanwhile,the introduction of aluminum(Al)and gallium(Ga)made a qualitative change in the catalyst,enhancing the electron motion and spin motion of vanadium species,resulting in the increase of V4^(+)/V5^(+)ratio.In addition,the catalyst can provide an optimal acidic environment and a threedimensional cross-linked surface structure that facilitates product diffusion. 展开更多
关键词 C_(sp2)-H activation V4^(+)/V5^(+)ratio Acid microenvironment Catalysis Support Catalyst activation
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Screening the optimal Co_(x)/CeO_(2)(110)(x=1–6)catalyst for methane activation in coalbed gas
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作者 Li’nan Huang Danyang Li +3 位作者 Lei Jiang Zhiqiang Li Dong Tian Kongzhai Li 《International Journal of Coal Science & Technology》 EI CAS CSCD 2024年第3期256-271,共16页
The challenges posed by energy and environmental issues have forced mankind to explore and utilize unconventional energy sources.It is imperative to convert the abundant coalbed gas(CBG)into high value-added products,... The challenges posed by energy and environmental issues have forced mankind to explore and utilize unconventional energy sources.It is imperative to convert the abundant coalbed gas(CBG)into high value-added products,i.e.,selective and efficient conversion of methane from CBG.Methane activation,known as the“holy grail”,poses a challenge to the design and development of catalysts.The structural complexity of the active metal on the carrier is of particular concern.In this work,we have studied the nucleation growth of small Co clusters(up to Co_(6))on the surface of CeO_(2)(110)using density functional theory,from which a stable loaded Co/CeO_(2)(110)structure was selected to investigate the methane activation mechanism.Despite the relatively small size of the selected Co clusters,the obtained Co_(x)/CeO_(2)(110)exhibits interesting properties.The optimized Co_(5)/CeO_(2)(110)structure was selected as the optimal structure to study the activation mechanism of methane due to its competitive electronic structure,adsorption energy and binding energy.The energy barriers for the stepwise dissociation of methane to form CH3^(*),CH2^(*),CH^(*),and C^(*)radical fragments are 0.44,0.55,0.31,and 1.20 eV,respectively,indicating that CH^(*)dissociative dehydrogenation is the rate-determining step for the system under investigation here.This fundamental study of metal-support interactions based on Co growth on the CeO_(2)(110)surface contributes to the understanding of the essence of Co/CeO_(2) catalysts with promising catalytic behavior.It provides theoretical guidance for better designing the optimal Co/CeO_(2) catalyst for tailored catalytic reactions. 展开更多
关键词 Co cluster growth Ce-based catalysts Methane activation DFT
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Mechanistic insights into stepwise activation of malachite for enhancing surface reactivity and flotation performance
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作者 Qicheng Feng Wanming Lu +1 位作者 Han Wang Qian Zhang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第10期2159-2172,共14页
Malachite is a common copper oxide mineral that is often enriched using the sulfidization-xanthate flotation method.Currently,the direct sulfidization method cannot yield copper concentrate products.Therefore,a new su... Malachite is a common copper oxide mineral that is often enriched using the sulfidization-xanthate flotation method.Currently,the direct sulfidization method cannot yield copper concentrate products.Therefore,a new sulfidization flotation process was developed to promote the efficient recovery of malachite.In this study,Cu^(2+) was used as an activator to interact with the sample surface and increase its reaction sites,thereby strengthening the mineral sulfidization process and reactivity.Compared to single copper ion activation,the flota-tion effect of malachite significantly increased after stepwise Cu^(2+) activation.Zeta potential,X-ray photoelectron spectroscopy(XPS),time-of-flight secondary ion mass spectroscopy(ToF-SIMS),scanning electron microscopy and energy dispersive spectrometry(SEM-EDS),and atomic force microscopy(AFM)analysis results indicated that the adsorption of S species was significantly enhanced on the mineral surface due to the increase in active Cu sites after Cu^(2+) stepwise activation.Meanwhile,the proportion of active Cu-S spe-cies also increased,further improving the reaction between the sample surface and subsequent collectors.Fourier-transform infrared spec-troscopy(FT-IR)and contact angle tests implied that the xanthate species were easily and stably adsorbed onto the mineral surface after Cu^(2+) stepwise activation,thereby improving the hydrophobicity of the mineral surface.Therefore,the copper sites on the malachite sur-face after Cu^(2+) stepwise activation promote the reactivity of the mineral surface and enhance sulfidization flotation of malachite. 展开更多
关键词 MALACHITE copper ions stepwise activation flotation mechanism enhanced sulfidization
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Conversion of Lignin into Porous Carbons for High-Performance Supercapacitors via Spray Drying and KOH Activation: Structure-Properties Relationship and Reaction Mechanism
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作者 Shihao Feng Qin Ouyang +4 位作者 Jing Huang Xilin Zhang Zhongjun Ma Kun Liang Qing Huang 《Journal of Renewable Materials》 EI CAS 2024年第7期1207-1218,共12页
Lignin-derived porous carbons have emerged as promising electrode materials for supercapacitors.However,the challenge remains in designing and controlling their structure to achieve ideal electrochemical performance d... Lignin-derived porous carbons have emerged as promising electrode materials for supercapacitors.However,the challenge remains in designing and controlling their structure to achieve ideal electrochemical performance due to the complex molecular structure of lignin and its intricate chemical reactions during the activation process.In this study,three porous carbons were synthesized from lignin by spray drying and chemical activation with vary-ing KOH ratios.The specific surface area and structural order of the prepared porous carbon continued to increase with the increase of the KOH ratio.Thermogravimetric-mass spectrometry(TG-MS)was employed to track the molecular fragments generated during the pyrolysis of KOH-activated lignin,and the mechanism of the thermochemical conversion was investigated.During the thermochemical conversion of lignin,KOH facili-tated the removal of H2 and CO,leading to the formation of not only more micropores and mesopores,but also more ordered carbon structures.The pore structure exhibited a greater impact than the carbon structure on the electrochemical performance of porous carbon.The optimized porous carbon exhibited a capacitance of 256 F g-1 at a current density of 0.2 A g-1,making it an ideal electrode material for high-performance supercapacitors. 展开更多
关键词 LIGNIN porous carbon KOH activation mechanism SUPERCAPACITOR
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Macrophage Activation Syndrome as the Primary Presentation of Pediatric Systemic Lupus Erythematosus: A Case Report and Review of the Literature
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作者 Hanane Hajaj Hanae Bahari +3 位作者 Aziza El Ouali Ayyad Ghanam Maria Rkain Abdeladim Babakhouya 《Open Journal of Pediatrics》 2024年第1期132-138,共7页
Macrophage activation syndrome (MAS), in its secondary form, often complicates rheumatic diseases but rarely constitutes a mode of revelation. Systemic lupus erythematosus (SLE) is a systemic autoimmune disease of unk... Macrophage activation syndrome (MAS), in its secondary form, often complicates rheumatic diseases but rarely constitutes a mode of revelation. Systemic lupus erythematosus (SLE) is a systemic autoimmune disease of unknown etiology that primarily affects women in adulthood. MAS is a serious condition that may be the first presentation of SLE. Here, we report the case of a 4-year-old female with MAS as the primary manifestation of Systemic Lupus Erythematosus (SLE). In this case, we outline the characteristics of a complex case of SLE that was initially accompanied with MAS, and also review the literature to discuss the clinical, biological, and therapeutic aspects of this condition. 展开更多
关键词 Macrophage activation Syndrome Systemic Lupus Erythematosus CHILD
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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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作者 Xiurong Yang Chi Zhang +6 位作者 Wujing Jin Zhaoqi Guo Hongxu Gao Shiyao Niu Fengqi Zhao Bo Liu Haixia Ma 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期262-270,共9页
Traditional selection of combustion catalysis is time-consuming and labor-intensive.Theoretical calculation is expected to resolve this problem.The adsorption energy of HMX and O atoms on 13 metal oxides was calculate... Traditional selection of combustion catalysis is time-consuming and labor-intensive.Theoretical calculation is expected to resolve this problem.The adsorption energy of HMX and O atoms on 13 metal oxides was calculated using DMol3,since HMX and O are key substances in decomposition process.And 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 plot.Thus,the T30 values of other metal oxides was predicted based on their adsorption energy on volcano plot and validated by previous experimental data.Further,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 plot.The 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. 展开更多
关键词 Density functional theory HMX Metal oxides Adsorption energy activation energy
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