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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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Synthesis of tetrahedrally coordinated CoO for higher alcohol synthesis directly from syngas

《化学科学与工程前沿（英文）》 2024年 第18卷 第8期 doi: 10.1007/s11705-024-2448-7

摘要： Higher alcohol synthesis directly from syngas is highly desirable as one of the efficient non-petroleum energy conversion routes. Co0–CoO catalysts showed great potential for this reaction, but the alcohol selectivity still needs to be improved and the crystal structure effect of CoO on catalytic behaviors lacks investigation. Here, a series of tetrahedrally coordinated CoO polymorphs were prepared by a thermal decomposition method, which consisted of wurtzite CoO and zinc blende CoO with varied contents. After diluting with SiO2, the catalyst showed excellent performance for higher alcohol synthesis with ROH selectivity of 45.8% and higher alcohol distribution of 84.1 wt % under the CO conversion of 38.0%. With increasing the content of wurtzite CoO, the Co0/Co2+ ratio gradually increased in the spent catalysts, while the proportion of highly active hexagonal close packed cobalt in Co0 decreased, leading to first decreased then increased CO conversion. Moreover, the higher content of zinc blende CoO in fresh catalyst facilitated the retention of more Co2+ sites in spent catalysts, promoting the ROH selectivity but slightly decreasing the distribution of higher alcohols. The catalyst with 40% wurtzite CoO obtained the optimal performance with a space time yield toward higher alcohols of 7.9 mmol·gcat–1·h–1.

关键词： higher alcohol synthesis     CO hydrogenation     wurtzite CoO     zinc blende CoO     hexagonal-closest-packed Co    

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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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Design methodology, synthesis, and control strategy of the high-speed planetary rover

《机械工程前沿（英文）》 2024年 第19卷 第2期 doi: 10.1007/s11465-024-0783-5

摘要： The planned missions to explore the surfaces of the Moon and Mars require high exploration efficiency, thus imposing new demands on the mobility system of planetary rovers. In this paper, a design method for a high-speed planetary rover (HPR) is proposed, and the representative configurations are modeled and simulated. First, the influence of the planetary surface environment on the design of HPRs is analyzed, and the design factors for HPRs are determined by studying a single-wheel suspension. Second, a design methodology for HPRs is proposed. The adaptive suspension mechanisms of a four-wheeled rover are synthesized using the all-wheel-attachment condition and position and orientation characteristics theory, which are expressed in the form of a graph theory for the increase in elastic components and active joints. Finally, a dynamic model is built, and a simulation is carried out for the proposed rover. The validity of the proposed method and rover is verified, thus highlighting their potential application in future planetary exploration.

关键词： design methodology     spectrum analysis     high-speed     planetary rover     type synthesis    

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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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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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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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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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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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Effect of seawater salinity on the synthesis of zeolite from coal fly ash

Yanqing YU, Xiaoliang LI, Xiaolan ZOU, Xiaobin ZHU

《环境科学与工程前沿（英文）》 2014年 第8卷 第1期   页码 54-61 doi: 10.1007/s11783-013-0493-4

摘要： A novel method for the synthesis of zeolite was developed in this paper. The synthesis was carried out by hydrothermal activation after alkali fusion and coal fly ash (CFA) was used as raw material with seawater of different salinities. Seawater salinity was varied from 32 to 88 for zeolite crystallization during the hydrothermal process. The results show that seawater salinity plays an important role in zeolite synthesis with CFA during hydrothermal treatment. The products were a mixture of NaX zeolite and hydroxysodalite; seawater salinity more strongly affected the crystallization than the type and chemical composition of the zeolites. The yield of CFA transformed into zeolite gradually rose with the increase in salinity, reaching a transformation rate of 48%–62% as the salinity increased from 32 to 88, respectively. The proposed method allows for the efficient disposal of by-products; therefore, the application of seawater in zeolite synthesis presents promising economic and ecological benefits.

关键词： coal fly ash (CFA)     seawater salinity     zeolite synthesis    

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Size-controlled green synthesis of silver nanoparticles assisted by L-cysteine

Wenchao Zhang,Lin Zhang,Yan Sun

《化学科学与工程前沿（英文）》 2015年 第9卷 第4期   页码 494-500 doi: 10.1007/s11705-015-1527-1

摘要： A green and size-controlled synthesis of silver nanoparticles (Ag NPs) in aqueous solution with the assistance of L-cysteine is presented. The size of Ag NPs decreases with the increase of L-cysteine concentration, and thus can be controlled by adjusting L-cysteine concentration. TEM analysis shows that Ag NPs with an average size of 3 nm can be produced in the presence of 1.0 mmol/L L-cysteine, about one sixth of the size of Ag NPs obtained in the absence of L-cysteine (17 nm). The as-synthesized silver colloidal solution is stable and can be stored at room temperature for at least two months without any precipitation. This L-cysteine assisted method is simple, feasible and efficient, and would facilitate the production and application of Ag NPs.

关键词： nanoparticles     silver     L-cysteine     size distribution     synthesis    

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A review on BiWO-based photocatalysts synthesis, modification, and applications in environmental remediation

《环境科学与工程前沿（英文）》 2024年 第18卷 第7期 doi: 10.1007/s11783-024-1846-x

摘要：

● Recent progress of bismuth tungstate (Bi2WO6) as photocatalyst was summarized.

关键词： Bismuth tungstate     Synthesis and modification     Photocatalytic application     Environmental remediation     Clean energy     Medical science    

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Synthesis and

Wen Zhao, Jiahua Xing, Tianming Xu, Weili Peng, Xinghai Liu

《化学科学与工程前沿（英文）》 2017年 第11卷 第3期   页码 363-368 doi: 10.1007/s11705-016-1595-x

摘要： Pyrazole carboxamide derivatives represent an important class of fungicides in agrochemicals. To find more novel structural pyrazole carboxamides, a novel series of 3-(trifluoromethyl)-1 -pyrazole-4-carboxamide compounds were prepared from ethyl 4,4,4-trifluoroacetoacetate and triethyl orthoformate as starting materials. All the products were characterized by Fourier transform infrared spectroscopy, H nuclear magnetic resonance (NMR), C NMR, F NMR and mass spectrography. The bioassay results showed these fluorine-containing pyrazole carboxamides have a weak fungicidal activity but some of them exhibit a good nematocidal activity against .

关键词： fluorinated pyrazole carboxamide     synthesis     nematocidal activity     structure and activity relationship    

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标题 作者 时间 类型 操作

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

Synthesis of tetrahedrally coordinated CoO for higher alcohol synthesis directly from syngas

期刊论文

Study on a green synthesis of

Aixin WANG, Yuanbin SHE, Jing FAN

期刊论文

Design methodology, synthesis, and control strategy of the high-speed planetary rover

期刊论文

Biomass to dimethyl ether by gasification/synthesis technology

Tiejun WANG, Yuping LI, Longlong MA, Chuangzhi WU

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

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

期刊论文

Multi-resolution texture synthesis from turntable image sequences

Xuedong WANG, Xiaojun WU, Xiaorong ZHANG

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

Effect of seawater salinity on the synthesis of zeolite from coal fly ash

Yanqing YU, Xiaoliang LI, Xiaolan ZOU, Xiaobin ZHU

期刊论文

Size-controlled green synthesis of silver nanoparticles assisted by L-cysteine

Wenchao Zhang,Lin Zhang,Yan Sun

期刊论文

A review on BiWO-based photocatalysts synthesis, modification, and applications in environmental remediation

期刊论文

Synthesis and

Wen Zhao, Jiahua Xing, Tianming Xu, Weili Peng, Xinghai Liu

期刊论文