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Advantageous mechanochemical synthesis of copper(I) selenide semiconductor, characterization, and properties

《化学科学与工程前沿（英文）》 2022年 第16卷 第3期   页码 433-442 doi: 10.1007/s11705-021-2066-6

摘要： Copper(I) selenide-nanocrystalline semiconductor was synthesized via one-step mechanochemical synthesis after 5 min milling in a planetary ball mill. The kinetics of synthesis was followed by X-ray powder diffraction analysis and specific surface area measurements of milled 2Cu/Se mixtures. The X-ray diffraction confirmed the orthorhombic crystal structure of Cu2Se with the crystallite size ~25 nm. The surface chemical structure was studied by X-ray photoelectron spectroscopy, whereby the binding energy of the Cu 2p and Se 3d signals corresponded to Cu+ and Se2– oxidation states. Transmission electron microscopy revealed agglomerated nanocrystals and confirmed their orthorhombic structure, as well. The optical properties were studied utilizing ultraviolet-visible spectroscopy and photoluminescence spectroscopy. The direct bandgap energy 3.7 eV indicated a blue-shift phenomenon due to the quantum size effect. This type of Cu2Se synthesis can be easily adapted to production dimensions using an industrial vibratory mill. The advantages of mechanochemical synthesis represent the potential for inexpensive, environmentally-friendly, and waste-free manufacturing of Cu2Se.

关键词： Cu2Se     berzelianite     nanocrystalline semiconductor     mechanochemical synthesis     planetary ball mill    

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Enhancing the adsorption function of biochar by mechanochemical graphitization for organic pollutant

《环境科学与工程前沿（英文）》 2021年 第15卷 第6期 doi: 10.1007/s11783-021-1418-2

摘要：

• Mechanochemical treatment reduced the calcination temperature for biochar synthesis.

关键词： Biochar     Mechanochemical treatment     Graphitization     Calcination temperature     Organic pollutant    

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Solvent-free mechanochemical mild oxidation method to enhance adsorption properties of chitosan

《环境科学与工程前沿（英文）》 2021年 第15卷 第6期 doi: 10.1007/s11783-021-1416-4

摘要：

• Solvent-free chitosan oxidation is obtained by rapid mechanochemical reaction.

关键词： Chitosan     High energy ball milling     Mechanochemistry     Oxidation    

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Structural and optical properties of nanostructured copper sulfide semiconductor synthesized in an industrial mill

Marcela Achimovičová, Erika Dutková, Erika Tóthová, Zdenka Bujňáková, Jaroslav Briančin, Satoshi Kitazono

《化学科学与工程前沿（英文）》 2019年 第13卷 第1期   页码 164-170 doi: 10.1007/s11705-018-1755-2

摘要：

Chalcogenide nanostructured semiconductor, copper sulfide (CuS) was prepared from copper and sulfur powders in stoichiometric ratio by a simple, fast, and convenient one-step mechanochemical synthesis after 40 min of milling in an industrial eccentric vibratory mill. The kinetics of the mechanochemical synthesis and the influence of the physical properties of two Cu powder precursor types on the kinetics were studied. The crystal structure, physical properties, and morphology of the product were characterized by X-ray diffraction (XRD), the specific surface area measurements, particle size distribution and scanning electron microscopy. The XRD analysis confirmed the hexagonal crystal structure of the product-CuS (covellite) with the average size of the crystallites 11 nm. The scanning electron microscopy analysis has revealed that the agglomerated grains have a plate-like structure composed of CuS nanoparticles. The thermal analysis was performed to investigate the thermal stability of the mechanochemically synthesized CuS. The optical properties were studied using UV-Vis and photoluminescence spectroscopy. The determined optical band gap energy 1.80 eV responds to the value of the bulk CuS, because of agglomerated nanoparticles. In addition, a mechanism of CuS mechanochemical reaction was proposed, and the verification of CuS commercial production was performed.

关键词： copper sulfide     industrial mechanochemical synthesis     thermal analysis     optical properties    

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Modified iron-molybdate catalysts with various metal oxides by a mechanochemical method: enhanced formaldehyde

Xue Liu, Lingtao Kong, Shengtao Xu, Chaofan Liu, Fengyun Ma

《化学科学与工程前沿（英文）》 2021年 第15卷 第5期   页码 1099-1110 doi: 10.1007/s11705-020-2008-8

摘要： A mechanochemical method was employed to prepare modified iron molybdate catalysts with various metal salts as precursors. The physicochemical properties of the iron molybdate catalysts were characterized, and their performances in catalyzing the reaction from methanol to formaldehyde (HCHO) were evaluated. Iron molybdate catalysts doped with Co(NO ) ·6H O and Al(NO ) ·9H O resulted in high HCHO yields. Compared with a commercial catalyst, the HCHO yields in the reaction with the modified catalyst at an optimal Co/Mo molar ratio reached 97.37%. According to chemical state analysis, the formation of CoO and the efficient decrease in the MoO sublimation rate could be important factors enhancing the HCHO yield in reactions catalyzed with iron molybdate doped with different Co/Mo mole ratios.

关键词： iron molybdate catalyst     metal oxides     methanol to formaldehyde     Co/Mo ratio     formaldehyde yield    

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Automated synthesis of steady-state continuous processes using reinforcement learning

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 288-302 doi: 10.1007/s11705-021-2055-9

摘要： Automated flowsheet synthesis is an important field in computer-aided process engineering. The present work demonstrates how reinforcement learning can be used for automated flowsheet synthesis without any heuristics or prior knowledge of conceptual design. The environment consists of a steady-state flowsheet simulator that contains all physical knowledge. An agent is trained to take discrete actions and sequentially build up flowsheets that solve a given process problem. A novel method named SynGameZero is developed to ensure good exploration schemes in the complex problem. Therein, flowsheet synthesis is modelled as a game of two competing players. The agent plays this game against itself during training and consists of an artificial neural network and a tree search for forward planning. The method is applied successfully to a reaction-distillation process in a quaternary system.

关键词： automated process synthesis     flowsheet synthesis     artificial intelligence     machine learning     reinforcement learning    

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Effect of potassium carbonate on catalytic synthesis of calcium carbide at moderate temperature

Dejun SHI, Ke QIAO, Zifeng YAN

《化学科学与工程前沿（英文）》 2011年 第5卷 第3期   页码 372-375 doi: 10.1007/s11705-010-0570-1

摘要： Calcium carbide was successfully synthesized by carbothermal reduction of lime with coke at 1973 K for 1.5 h. The effect of potassium carbonate as additive on the composition and morphology of the product was investigated using X-ray diffraction and scanning electron microscope. Addition of potassium carbonate increased the yield of calcium carbide. The sample in the presence of potassium carbonate generated acetylene gas of 168.3 L/kg, which was 10% higher than that in the absence of potassium carbonate. This result confirmed the catalytic effect of potassium carbonate on the synthesis of calcium carbide. A possible mechanism of the above effects was that the additive, which was melted at the reduction temperature, dissolved CaO and so promoted the contact between CaO and carbon, which was essential for the solid-solid reaction to form calcium carbide.

关键词： calcium carbide     synthesis     catalysis    

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Study on a green synthesis of

Aixin WANG, Yuanbin SHE, Jing FAN

《化学科学与工程前沿（英文）》 2009年 第3卷 第2期   页码 219-221 doi: 10.1007/s11705-009-0058-z

摘要： A novel method for the synthesis of -oxo-bis[tetraarylporphyrinatoiron] ([TRPPFe] O) based on the reaction between tetraarylporphyrinironchloride (TRPPFeCl) and H O in toluene was investigated in this paper. Three kinds of [TRPPFe] O were synthesized by this novel synthetic method, and their structures were characterized by elemental analysis, IR spectra and UV-Vis spectroscopy.

关键词： μ-oxo-bis[tetraarylphenylporphinatoiron]     green synthesis     water    

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Biomass to dimethyl ether by gasification/synthesis technology

Tiejun WANG, Yuping LI, Longlong MA, Chuangzhi WU

《能源前沿（英文）》 2011年 第5卷 第3期   页码 330-339 doi: 10.1007/s11708-010-0121-y

摘要： Technical and economic analysis was done for the biomass to dimethyl ether (DME) technology to promote the gasification/synthesis route for biofuel production and its application as a fossil fuel substitute. The technology of biomass gasification/synthesis has obvious advantages, including production flexibility, environmental friendliness, economic feasibility, and application versatility. Biomass gasification/synthesis technology integrates bio-DME synthesis, fertilizer production, electricity generation, and waste heat utilization to convert waste biomass residues to DME for use as liquid petroleum gas, transportation fuel substitute, and chemical intermediates, which has been proven to be one of the most effective and clean biomass utilization routes. The 1000 t/a-scale demonstration plant has a bio-DME production rate of 6 to 7 / , biomass gasification efficiency of≥82%, once-through CO conversion of ≥70%, DME selectivity (DME/DME+other organic products) of ≥90%, and a total system efficiency of ≥38%. The demonstration plant also has self-sufficient steam and electricity supply. The 10,000tons/a-scale bio-DME production cost with or without feedstock subsidy is estimated to be 1968 Yuan/t and 2868 Yuan/t, respectively in China. Because of the limitation in biomass feedstock collection cost, massive and disperse commercial plants with a capacity of 10000 t/a bio-DME are more suitable for rural areas.

关键词： technical and economic analysis     biomass     dimethyl ether     gasification/synthesis    

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Multi-resolution texture synthesis from turntable image sequences

Xuedong WANG, Xiaojun WU, Xiaorong ZHANG

《机械工程前沿（英文）》 2012年 第7卷 第1期   页码 72-80 doi: 10.1007/s11465-012-0305-8

摘要：

Texture synthesis and texture mapping are important technologies for rendering realistic three-dimensional scene. It has been widely used in virtual reality, urban modeling, 3D animation, gaming and other areas. In this paper, we propose a fast method to construct high quality texture map for multi-resolution texture synthesis from turntable image sequences. Given a 3D mesh model, we first get the projection relationship between 3D mesh and image sequences. We then use image sequences to construct a texture triangle for each 3D triangle mesh and get a global rectangular texture map for the whole mesh. Another approach to construct a texture map is using Stretch-minimizing mesh parameterization. Finally, we map the texture to mesh model to verify the quality of these two methods. The high performance of this method has been demonstrated in many real object models.

关键词： texture synthesis     multi-resolution     texture map     texture mapping    

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Kinematical synthesis of an inversion of the double linked fourbar for morphing wing applications

J. AGUIRREBEITIA, R. AVILéS, I. FERNáNDEZ, M. ABASOLO

《机械工程前沿（英文）》 2013年 第8卷 第1期   页码 17-32 doi: 10.1007/s11465-013-0364-5

摘要：

This paper presents the kinematical features of an inversion of the double linked fourbar for morphing wing purposes. The structure of the mechanism is obtained using structural synthesis concepts, from an initial conceptual schematic. Then, kinematic characteristics as instant center of rotation, lock positions, dead point positions and uncertainty positions are derived for this mechanism in order to face the last step, the dimensional synthesis; in this sense, two kinds of dimensional synthesis are arranged to guide the wing along two positions, and to fulfill with the second one some aerodynamic and minimum actuation energy related issues.

关键词： morphing wing     structural synthesis     dimensional synthesis     geometrical kinematics    

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Seed-induced synthesis of functional MFI zeolite materials: Method development, crystallization mechanisms

Zhaoqi Ye, Hongbin Zhang, Yahong Zhang, Yi Tang

《化学科学与工程前沿（英文）》 2020年 第14卷 第2期   页码 143-158 doi: 10.1007/s11705-019-1852-x

摘要： As an important zeolite material, MFI zeolites, as well as their controllable synthesis, are of great interest in both basic and applied science. Among the developed synthetic approaches, the seed-induced method has gradually evolved into a facile, low-cost, and even green alternative to give zeolites the desirable physicochemical properties. In this review, we briefly summarize the development of seed-induced syntheses of diverse functional MFI zeolites, where the “living” seed crystals not only direct the formation of zeolitic framework but also function as special “templates” or “units” to fine-tune the zeolite materials with diverse sizes, shapes, compositions, morphologies and pore structures. Moreover, on the basis of their structural features and crystallization behaviors in seed-induced synthesis, we reveal the roles of seeds and discuss the related crystallization mechanisms including both classical and non-classical pathways. We also want to guide readers to investigate the structure-performance relationships between these functional MFI zeolite catalysts and suitable catalytic reactions.

关键词： seed-induced synthesis     MFI zeolite     synthesis mechanism     catalytic property    

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机械化学法辅助荧光体浸出——稀土回收绿色工程法 Article

Steff Van Loy, Koen Binnemans, Tom Van Gerven

《工程（英文）》 2018年 第4卷 第3期   页码 398-405 doi: 10.1016/j.eng.2018.05.015

摘要：

稀土元素（REE）是设计和开发可持续能源应用的重要金属。从富含稀土元素的废物流中回收这些元素对实现独立、可持续的未来能源供应至关重要。本研究比较了从绿灯荧光体LaPO4:Ce3+,Tb3+回收稀土元素的两种机制：在湿法冶金酸浸工艺前与溶剂冶金机械化学浸出工艺前的机械活化机制。稀土元素浸出率在机械活化后增加60%，完成机械化学浸出工艺后增加98%。高分辨率透射电子显微镜（HR-TEM）成像揭露了系统元素浸出率增加的原因：浸出与浸出模式的改善可归因于晶体形态从单晶体到多晶体的转变。多晶形材料的雏晶尺寸减小至纳米级，使化学单元出现不规则填充，导致晶体内缺陷颗粒边界的增加，从而增强浸出工艺。发明了一种溶剂冶金法将机械活化与浸出工艺结合成一个步骤，这有利于降低运营成本。其结果是简单、高效的工艺提供了更加绿色的荧光体废物回收替代途经。

关键词： 机械化学     稀土元素     荧光体废物     球磨研磨     溶剂冶金    

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Catalytic activity of manganese oxide supported on alumina in the synthesis of quinoxalines

Rekha M., H. Kathyayini, N. Nagaraju

《化学科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 415-421 doi: 10.1007/s11705-013-1360-3

摘要： Two catalysts, alumina and manganese oxide supported on alumina, have been prepared by calcination and precipitation-impregnation methods, respectively. The catalysts are characterised by the following techniques: Brunner-Emmett-Teller-N adsorption-desorption for surface area, temperature programmed desorption of NH and -butyl amine back titration methods for surface acidity, powder X-ray diffraction for textural properties, and Fourier transform infrared spectroscopy for the anionic radicals. The catalytic activity has been determined under heterogeneous conditions in the condensation reaction between -phenylenediamine and benzil. The product purity is checked by thin-layer chromatography and melting point. The products are also analysed by LC-MS and H-NMR techniques. The yields of the products have been found to be good and catalysts exhibited excellent recyclability. The effect of changing the reaction parameters such as temperature, reaction time, amount of the catalyst, nature of solvent and molar ratio of reactants on the yield of the product has been studied. The surface acidity of the catalysts plays an important role in activating the reaction.

关键词： alumina     manganese oxide deposited on alumina     quinoxaline synthesis    

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dehydrogenation reaction on high-performance PdAu alloy nanoparticles prepared by the eco-friendly slow synthesis

《能源前沿（英文）》   页码 751-762 doi: 10.1007/s11708-023-0895-3

摘要： Dehydrogenation of formic acid (FA) is considered to be an effective solution for efficient storage and transport of hydrogen. For decades, highly effective catalysts for this purpose have been widely investigated, but numerous challenges remain. Herein, the PdxAu1−x (x = 0, 0.2, 0.4, 0.5, 0.6, 0.8, 1) alloys over the whole composition range were successfully prepared and used to catalyze FA hydrogen production efficiently near room temperature. Small PdAu nanoparticles (5–10 nm) were well-dispersed and supported on the activated carbon to form PdAu solid solution alloys via the eco-friendly slow synthesis methodology. The physicochemical properties of the PdAu alloys were comprehensively studied by utilizing various measurement methods, such as X-ray diffraction (XRD), N2 adsorption–desorption, high angle annular dark field-scanning transmission electron microscope (HAADF-STEM), X-ray photoelectrons spectroscopy (XPS). Notably, owing to the strong metal-support interaction (SMSI) and electron transfer between active metal Au and Pd, the Pd0.5Au0.5 obtained exhibits a turnover frequency (TOF) value of up to 1648 h−1 (313 K, nPd+Au/nFA = 0.01, nHCOOH/nHCOONa = 1:3) with a high activity, selectivity, and reusability in the FA dehydrogenation.

关键词： FA dehydrogenation     face-centred cubic structures     PdAu solid solution alloy nanoparticles     slow synthesis methodology     SMSI effect    

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标题 作者 时间 类型 操作

Advantageous mechanochemical synthesis of copper(I) selenide semiconductor, characterization, and properties

期刊论文

Enhancing the adsorption function of biochar by mechanochemical graphitization for organic pollutant

期刊论文

Solvent-free mechanochemical mild oxidation method to enhance adsorption properties of chitosan

期刊论文

Structural and optical properties of nanostructured copper sulfide semiconductor synthesized in an industrial mill

Marcela Achimovičová, Erika Dutková, Erika Tóthová, Zdenka Bujňáková, Jaroslav Briančin, Satoshi Kitazono

期刊论文

Modified iron-molybdate catalysts with various metal oxides by a mechanochemical method: enhanced formaldehyde

Xue Liu, Lingtao Kong, Shengtao Xu, Chaofan Liu, Fengyun Ma

期刊论文

Automated synthesis of steady-state continuous processes using reinforcement learning

期刊论文

Effect of potassium carbonate on catalytic synthesis of calcium carbide at moderate temperature

Dejun SHI, Ke QIAO, Zifeng YAN

期刊论文

Study on a green synthesis of

Aixin WANG, Yuanbin SHE, Jing FAN

期刊论文

Biomass to dimethyl ether by gasification/synthesis technology

Tiejun WANG, Yuping LI, Longlong MA, Chuangzhi WU

期刊论文

Multi-resolution texture synthesis from turntable image sequences

Xuedong WANG, Xiaojun WU, Xiaorong ZHANG

期刊论文

Kinematical synthesis of an inversion of the double linked fourbar for morphing wing applications

J. AGUIRREBEITIA, R. AVILéS, I. FERNáNDEZ, M. ABASOLO

期刊论文

Seed-induced synthesis of functional MFI zeolite materials: Method development, crystallization mechanisms

Zhaoqi Ye, Hongbin Zhang, Yahong Zhang, Yi Tang

期刊论文

机械化学法辅助荧光体浸出——稀土回收绿色工程法

Steff Van Loy, Koen Binnemans, Tom Van Gerven

期刊论文

Catalytic activity of manganese oxide supported on alumina in the synthesis of quinoxalines

Rekha M., H. Kathyayini, N. Nagaraju

期刊论文

dehydrogenation reaction on high-performance PdAu alloy nanoparticles prepared by the eco-friendly slow synthesis

期刊论文