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Slope stability of reclaimed coal mines through a new water filling index

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第3期16卷 828-839页

作者： Antonios Mikroutsikos Alexandros I.Theocharis Nikolaos C.Koukouzas Ioannis E.Zevgolis chemical process&energy resources institute Centre for Research&Technology HellasAthensGreece School of Mining and Metallurgical Engineering National Technical University of AthensAthensGreece

A common reclamation practice for closed coal surface mines is filling them with water to form pit *** creation and sustainability of these lakes are significantly affected by the stability of the corresponding *** present study provides a general framework for analyzing the water filling’s effect on slope stability based on a new water filling index,which can indirectly consider the factors affecting the process and efficiently quantify the filling speed’s *** assumptions of the proposed approach are thoroughly discussed,and the range of the water filling index is ***,the safety factor is calculated using the finite element method with the shear strength reduction technique during the filling process for various conditions(soil properties,slope geometry,hydraulic conditions,and water filling speed).Results are presented as normalized stability charts for practical *** the water filling,the stability gradually decreases until the reservoir reaches a critical level of 10%e40%of the total height;it then increases to even more stable conditions than the initial ***,the present analysis allows for the preliminary stability evaluation of a coal mine during the formation of a pit lake and the appropriate quantification of the water filling’s effect.

关键词： Post-coal era Open-pit flooding Stability charts Critical level

A universal strategy for the refined frameworks and improved performance of distinct commercial polyacrylonitriles in sulfur cathodes

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Science China Materials 2024年第9期67卷 2915-2924页

作者： Yikun Yi Feng Hai Wenting Chen Xin Gao Jingyu Guo Weicheng Xue Mingtao Li Shaanxi Key Laboratory of energy chemical process Intensification School of Chemical Engineering and TechnologyXi’an Jiaotong UniversityXi’an710049China

Sulfurized polyacrylonitrile(SPAN)with the exceptional stability,safety,low cost,and high capacity have been positioned as a highly promising cathode material for next-generation lithium-ion ***,in the market,polyacrylonitrile(PAN)sourced from different suppliers and available at varying prices exhibits significant variations in physical and chemical properties,resulting in diverse behaviors in Li-SPAN *** studying the mechanism,we found that the PAN copolymerization structure leads to the stacking of chain segments which obstructs the embedding of sulfur and lithium ***,we propose a universal strategy for the refined frameworks by an exogenous additive to modify various PAN raw materials,and the battery capacity and cycling performance are obviously *** a result,the copolymerized SPAN with a poor original capacity is nearly doubled to over 500 mAh g^(-1),almost comparable to high-quality yet expensively imported products;for the sample with a high initial capacity but fading in ether-based electrolytes,it can be modified to maintain stability over 400 *** strategy offers an alternative approach for SPAN modification that is characterized by its simplicity and low cost,thereby facilitating the large-scale development of Li-SPAN batteries.

关键词： copolymerization structure universal strategy exogenous additive SPAN modification

Artificial intelligence-assisted design of new chemical materials: a perspective

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Science China(Information Sciences) 2024年第8期67卷 334-336页

作者： Feng QIAN Wenli DU Weimin ZHONG Yang TANG Jingyi LU Key Laboratory of Smart Manufacturing in energy chemical process Ministry of EducationEast China University of Science and Technology

New chemical materials are a fresh category of substances created through chemical reactions or by refining existing materials through secondary processes. By using creative methods, advanced technologies, innovative techniques, and state-of-the-art equipment, these materials(e.g., high-end polyolefin, nano materials) [1] are carefully designed and developed to showcase outstanding performance and unique capabilities beyond what traditional chemical materials can offer [2].

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Revealing the Multifunctional Electrocatalysis of Indium-Modulated Phthalocyanine for High-Performance Lithium-Sulfur Batteries

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energy & Environmental Materials 2024年第1期7卷 5-12页

作者： Yang Guo Zhaoqing Jin Jianhao Lu Zilong Wang Zihao Song Anbang Wang Weikun Wang Yaqin Huang Beijing Key Laboratory of Electrochemical process and Technology for Materials Key Laboratory of Biomedical Materials of Natural Macromolecules Ministry of Education Beijing University of Chemical Technology Research institute of chemical Defense Beijing Key Laboratory of Advanced Chemical Energy Storage Technology and Materials

The sluggish kinetics of complicated multiphase conversions and the severe shuttling effect of lithium polysulfides（LiPSs） significantly hinder the applications of Li-S battery,which is one of the most promising candidates for the next-generation energy storage ***,a bifunctional electrocatalyst,indium phthalocyanine self-assembled with carbon nanotubes（InPc@CNT） composite material,is proposed to promote the conversion kinetics of both reduction and oxidation processes,demonstrating a bidirectional catalytic effect on both nucleation and dissolution of Li2S species.

关键词： bidirectional catalyst indium phthalocyanine lithium−sulfur batteries pouch cells

Electrocatalytic NAD(P)H regeneration for biosynthesis

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Green chemical Engineering 2024年第1期5卷 1-15页

作者： Yaoxuan Li Guanhua Liu Weixi Kong Suoqing Zhang Yuemei Bao Hao Zhao Lihui Wang Liya Zhou Yanjun Jiang National-Local Joint Engineering Laboratory for energy Conservation in chemical process Integration and resources Utilization School of Chemical Engineering and TechnologyHebei University of TechnologyTianjin300401China North China Pharmaceutical Group Corp Shijiazhuang050015China Tianjin Food Research institute Tianjin301609China

The highly efficient chemoselectivity,stereoselectivity,and regioselectivity render enzyme catalysis an ideal pathway for the synthesis of various chemicals in broad *** the cofactor of an enzyme is necessary but expensive,the conversed state of the cofactor is not beneficial for the positive direction of the *** regeneration using electrochemical methods has the advantages of simple operation,low cost,easy process monitoring,and easy product separation,and the electrical energy is green and ***,bioelectrocatalysis has great potential in synthesis by combining electrochemical cofactor regeneration with enzymatic *** this review,we detail the mechanism of cofactor regeneration and categorize the common electron mediators and enzymes used in cofactor *** reaction type and the recent progress are summarized in electrochemically coupled enzymatic *** main challenges of such electroenzymatic catalysis are pointed out and future developments in this field are foreseen.

关键词： Biosynthesis Cofactor regeneration Bioelectrocatalysis NAD(P)H Electron mediator

Application of surfactant for improving leaching process of weathered crust elution-deposited rare earth ores

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Journal of Rare Earths 2024年第1期42卷 181-190,I0007页

作者： Fang Zhou Lisen Zhang Zhiwei Wang Yixin Zhang Ru'an Chi Xiaoyan Wu Key Laboratory for Green chemical process of Ministry of Education Wuhan Institute of TechnologyWuhan430073China

Weathered crust elution-deposited rare earth ores(WREOs)in China are the main source of medium and heavy rare earths in the *** order to improve the seepage and the mass transfer of traditional ammonium salt leaching process of WREOs,surfactants were added in the ammonium sulfate leaching solution and the ammonium chloride leaching *** leaching kinetics,the mass transfer process,and the adhesion work reduction factor calculated from the interfacial properties were studied to reveal the strengthening mechanism of *** the presence of the tested five surfactants,cetyl trimethyl ammonium bromide(CTAB),dodecyl trimethyl ammonium bromide(DTAB),sodium dodecyl sulfate(SDS),sodium oleate and oleic acid,the permeability of WREOs is improved,the rare earth(RE)leaching efficiency increase and the impurity aluminum(Al)leaching efficiency decrease,indicating its promotional effect on the leaching process of ***,CTAB shows a better leaching enhancement,and the optimal addition dosage is 0.4 g/L for the two ammonium salt leaching agent *** kinetics analysis shows the internal diffusion controls model of RE and Al leaching process,and the leaching kinetics equations of RE and Al related to CTAB concentration were obtained for the two ammonium salt leaching *** to the chromatographic plate theory,the mass transfer efficiency of RE increases with the CTAB concentration increasing until 0.4 g/L,which confirms that the optimal CTAB addition is 0.4 g/*** adhesion work and adhesion work reduction factor indicate more favorable permeation as well as the leaching process.

关键词： Weathered crust elution-deposited rare earth ores Surfactant Kinetics Mass transfer

Hierarchical multihead self-attention for time-series-based fault diagnosis

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Chinese Journal of chemical Engineering 2024年第6期70卷 104-117页

作者： Chengtian Wang Hongbo Shi Bing Song Yang Tao Key Laboratory of Smart Manufacturing in energy chemical process of the Ministry of Education East China University of Science and TechnologyShanghai 200237China

Fault diagnosis is important for maintaining the safety and effectiveness of chemical *** the multivariate,nonlinear,and dynamic characteristic of chemical process,many time-series-based data-driven fault diagnosis methods have been developed in recent ***,the existing methods have the problem of long-term dependency and are difficult to train due to the sequential way of *** overcome these problems,a novel fault diagnosis method based on time-series and the hierarchical multihead self-attention(HMSAN)is proposed for chemical ***,a sliding window strategy is adopted to construct the normalized time-series ***,the HMSAN is developed to extract the time-relevant features from the time-series process *** improves the basic self-attention model in both width and *** the multihead structure,the HMSAN can pay attention to different aspects of the complicated chemical process and obtain the global dynamic ***,the multiple heads in parallel lead to redundant information,which cannot improve the diagnosis *** the hierarchical structure,the redundant information is reduced and the deep local time-related features are further ***,a novel many-to-one training strategy is introduced for HMSAN to simplify the training procedure and capture the long-term ***,the effectiveness of the proposed method is demonstrated by two chemical *** experimental results show that the proposed method achieves a great performance on time-series industrial data and outperforms the state-of-the-art approaches.

关键词： Self-attention mechanism Deep learning chemical process Time-series Fault diagnosis

A deep reinforcement learning approach to gasoline blending real-time optimization under uncertainty

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Chinese Journal of chemical Engineering 2024年第7期71卷 183-192页

作者： Zhiwei Zhu Minglei Yang Wangli He Renchu He Yunmeng Zhao Feng Qian Key Laboratory of Smart Manufacturing in energy chemical process Ministry of EducationEast China University of Science and TechnologyShanghai 200237China

The gasoline inline blending process has widely used real-time optimization techniques to achieve optimization objectives,such as minimizing the cost of ***,the effectiveness of real-time optimization in gasoline blending relies on accurate blending models and is challenged by stochastic ***,we propose a real-time optimization algorithm based on the soft actor-critic(SAC)deep reinforcement learning strategy to optimize gasoline blending without relying on a single blending model and to be robust against *** approach constructs the environment using nonlinear blending models and feedstocks with *** algorithm incorporates the Lagrange multiplier and path constraints in reward design to manage sparse product *** abstracted states facilitate algorithm convergence,and the normalized action vector in each optimization period allows the agent to generalize to some extent across different target production *** these well-designed components,the algorithm based on the SAC outperforms real-time optimization methods based on either nonlinear or linear *** even demonstrates comparable performance with the time-horizon based real-time optimization method,which requires knowledge of uncertainty models,confirming its capability to handle uncertainty without accurate *** simulation illustrates a promising approach to free real-time optimization of the gasoline blending process from uncertainty models that are difficult to acquire in practice.

关键词： Deep reinforcement learning Gasoline blending Real-time optimization Petroleum Computer simulation Neural networks

Ionic liquid-assisted preparation of hydroxyapatite and its catalytic performance for decarboxylation of itaconic acid

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Chinese Journal of chemical Engineering 2024年第3期67卷 9-15页

作者： Shutong Pang Hualiang An Xinqiang Zhao Yanji Wang Hebei Provincial Key Laboratory of Green chemical Technology and Efficient energy Saving Tianjin Key Laboratory of Chemical Process SafetySchool of Chemical Engineering and TechnologyHebei University of TechnologyTianjin 300130China

The synthesis of methacrylic acid from biomass-derived itaconic acid is a green route,for it can get rid of the dependence on fossil *** order to solve the problems on this route such as use of a preciousmetal catalyst and a corrosive homogeneous alkali,we prepared a series of hydroxyapatite catalysts by an ionic liquid-assisted hydrothermal method and evaluated their catalytic *** results showed that the ionic liquid[Bmim]BF_(4) can affect the crystal growth of hydroxyapatite,provide fluoride ion for fluorination of hydroxyapatite,and adjust the surface acidity and basicity,morphology,textural properties,crystallinity,and composition of ***[Bmim]BF4 dosage and hydrothermal temperature can affect the fluoride ion concentration in the hydrothermal system,thus changing the degree of fluoridation of *** fluoride-ion concentration can lead to the formation of CaF_(2) and thus significantly decrease the catalytic performance of *** hydrothermal time mainly affects the growth of hydroxyapatite crystals on the c axis,leading to different catalytic *** suitable conditions for the preparation of this fluoridized hydroxyapatite are as follows:a mass ratio of[Bmim]BF4 to calcium salt=0.2:1,a hydrothermal time of 12 h,and a hydrothermal temperature of 130℃.A maximal methacrylic acid yield of 54.7%was obtained using the fluoridized hydroxyapatite under relatively mild reaction conditions(250℃ and 2 MPa of N_(2))in the absence of a precious-metal catalyst and a corrosive homogeneous alkali.

关键词： Ionic liquid Hydroxyapatite Itaconic acid Methacrylic Decarboxylation reaction