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Prediction and optimization of flue pressure in sintering process based on SHAP

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 346-359页

作者： Mingyu Wang Jue Tang Mansheng Chu Quan Shi Zhen Zhang School of Metallurgy Northeastern UniversityShenyang 110819China Liaoning Low-carbon Steelmaking Technology Engineering research center Northeastern UniversityShenyang 110819China Engineering research center of Frontier Technologies for Low-carbon Steelmaking(Ministry of Education) Shenyang 110819China

Sinter is the core raw material for blast *** pressure,which is an important state parameter,affects sinter *** this paper,flue pressure prediction and optimization were studied based on the shapley additive explanation(SHAP)to predict the flue pressure and take targeted adjustment ***,the sintering process data were collected and processed.A flue pressure prediction model was then constructed after comparing different feature selection methods and model algorithms using SHAP+extremely random-ized trees(ET).The prediction accuracy of the model within the error range of±0.25 kPa was 92.63%.SHAP analysis was employed to improve the interpretability of the prediction *** effects of various sintering operation parameters on flue pressure,the relation-ship between the numerical range of key operation parameters and flue pressure,the effect of operation parameter combinations on flue pressure,and the prediction process of the flue pressure prediction model on a single sample were analyzed.A flue pressure optimization module was also constructed and analyzed when the prediction satisfied the judgment *** operating parameter combination was then *** flue pressure was increased by 5.87%during the verification process,achieving a good optimization effect.

关键词： sintering process flue pressure shapley additive explanation prediction optimization

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Economic effect of China's carbon neutrality target under shared socioeconomic pathways

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science China Earth sciences 2025年第1期68卷 142-157页

作者： Zemiao LIU Xianjin HUANG Xinxian QI School of Geography and Ocean science Nanjing University Key Laboratory of carbon Neutrality and Territory Optimization Ministry of Natural Resources Frontiers science center for Critical Earth Material Cycling Nanjing University

Economic feasibility is crucial for achieving the carbon neutrality target. However, current integrated assessments often underestimate the economic impacts of mitigation policies due to the lack of consideration of their economic benefits. This study integrates a warming-labour productivity model with a typical integrated assessment model using shared socioeconomic pathways. It simulates China's economic development and carbon emission levels under both baseline and carbon-neutral policy scenarios, evaluating the economic costs and benefits of emission reduction policies aimed at achieving carbon neutrality. These findings reveal the following:(1) The economic costs of emission reduction policies are projected to peak between 2050 and 2060, ranging from 0.41% to 9.37% of total GDP in the baseline scenario, primarily due to increased energy prices and R&D investments. These costs are expected to decline rapidly after 2070.(2) China's carbon-neutral policies will mitigate global warming, with the economic benefits of mitigation projected to reach 5.65% to 17.24% of China's total GDP by 2100.(3) Lowcarbon scenarios SSP1 and SSP4 could significantly reduce initial economic costs and advance the onset of net economic gains to 2060. This integrated assessment confirms that China's carbon neutrality target offers substantial net economic benefits in the long term. To minimize initial economic costs, efforts should focus on enhancing consumption-side transitions, upgrading lowcarbon technologies, and adopting new energy sources.

关键词： Climate change China carbon neutrality Economic effects Policy

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Highly mass activity electrocatalysts with ultralow Pt loading on carbon black for hydrogen evolution reaction

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 182-190页

作者： Shaorou Ke Yajing Zhao Xin Min Yanghong Li Ruiyu Mi Yangai Liu Xiaowen Wu Minghao Fang Zhaohui Huang Engineering research center of Ministry of Education for Geological carbon Storage and Low carbon Utilization of Resources Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid WastersNational Laboratory of Mineral MaterialsSchool of Materials Science and TechnologyChina University of Geosciences(Beijing)Beijing 100083China

Pt-based nanocatalysts offer excellent prospects for various ***,the low loading of Pt with excellent performance for efficient and stable nanocatalysts still presents a considerable *** this study,nanocatalysts with ultralow Pt content,excellent performance,and carbon black as support were prepared through in-situ ***~2-nm particles uniformly and stably dispersed on carbon black because of the strong s-p-d orbital hybridizations between carbon black and Pt,which suppressed the agglomeration of Pt *** unique structure is beneficial for the hydrogen evolution *** catalysts exhibited remarkable catalytic activity for hydrogen evolution reaction,exhibiting a potential of 100 mV at 100 mA·cm^(-2),which is comparable to those of commercial Pt/C *** activity(1.61 A/mg)was four times that of a commercial Pt/C catalyst(0.37 A/mg).The ultralow Pt loading(6.84wt%)paves the way for the development of next-generation electrocatalysts.

关键词： hydrogen evolution reaction ultralow platinum in-situ synthesis ultrasound

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Applications of in-situ solid-state nuclear magnetic resonance in methanol to olefins reaction

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science China Chemistry 2025年第1期68卷 134-151页

作者： Jing Niu Shutao Xu Yingxu Wei Zhongmin Liu National Engineering research center of Lower-carbon Catalysis Technology Dalian Institute of Chemical PhysicsChinese Academy of Sciences State Key Laboratory of Catalysis Dalian Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of sciences

The methanol-to-olefins（MTO） reaction offers an alternative pathway for the production of low-carbon olefins from non-oil feedstocks. Fundamental research has been impeded by a lack of comprehensive understanding of its underlying mechanism,despite the significant progress made in industry. In-situ solid-state nuclear magnetic resonance（ss NMR） spectroscopy has emerged as a pivotal tool, offering crucial insights into key species under real-time operando conditions. Furthermore, the host–guest interaction between zeolites or surface species residing on zeolites and the reactant/active intermediates is revealed by the combination of in-situ13C MAS NMR and 2D correlation spectroscopy. Moreover, recent technological advancements in hyperpolarization（HP） methods, including HP129Xe NMR and dynamic nuclear polarization（DNP）, have significantly improved the sensitivity of ss NMR, enabling detailed structural and kinetic analysis as well as the detection of trace species. In this feature article, we summarized recent advancements in（in-situ） ss NMR spectroscopy applied to MTO reaction processes,encompassing mechanistic investigations at various stages and the intricate host–guest interactions. These theoretical insights into the dynamic evolution of MTO reactions lay a solid foundation for the optimization of catalytic processes and the development of efficient catalysts, thereby advancing the techniques towards more sustainable and economical production route for olefins.

关键词： MTO zeolites in-situ ssNMR reactive intermediates reaction mechanism

Design of a cationic accelerator enabling ultrafast ion diffusion kinetics in aqueous zinc-ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 377-384页

作者： Yawei Xiao Qianqian Gu Haoyu Li Mengyao Li Yude Wang National center for International research on Photoelectric and Energy Materials School of Materials and Energy Yunnan University Key Laboratory of Ministry of Education for Advanced Materials in Tropical Island Resources School of Chemistry and Chemical Engineering Hainan University College of Chemical Engineering Fuzhou University Yunnan Key Laboratory of carbon Neutrality and Green Low-carbon Technologies Yunnan University

Aqueous zinc-ion batteries are highly favored for grid-level energy storage owing to their low cost and high safety,but their practical application is limited by slow ion *** address this,a strategy has been developed to create a cation-accelerating electric field on the surface of the cathode to achieve ultrafast Zn2+diffusion *** employing electrodeposition to coat MoS2on the surface of BaV6O16·3H2O nanowires,the directional built-in electric field generated at the heterointerface acts as a cation accelerator,continuously accelerating Zn2+diffusion into the active *** optimized Zn2+diffusion coefficient in CC@BaV-6O16·3H2O@MoS2(7.5×10～8cm2s-1) surpasses that of most reported V-based ***,MoS2serving as a cathodic armor extends the cycling life of the Zn-CC@BaV6O16·3H2O@MoS2full batteries to over 10000 *** work provides valuable insights into optimizing ion diffusion kinetics for high-performance energy storage devices.

关键词： Zinc alloys

InNi alloy-induced interface effect promoting the parallel electron transfer: improved photothermal catalytic CO2 hydrogenation

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science China Chemistry 2025年

作者： Haoyu Zhang Yuhang Li Yu Nie Xinyu Dou Haodong Ji Xin Tan Jinhua Ye Tao Yu School of Chemical Engineering and Technology Tianjin University Eco-environment and Resource Efficiency research Laboratory School of Environment and Energy Peking University Shenzhen Graduate School School of Environmental science and Engineering Tianjin University Advanced Catalytic Materials research center School of Materials Science and Engineering Tianjin University research center for Solar Driven carbon Neutrality Hebei University

Photothermal catalytic CO2hydrogenation is an effective means of utilizing carbon ***,it is severely limited in terms of kinetics and ***,it is necessary to meticulously design catalysts to solve this ***,a sandwich structured NiO@InNi/In2O3is designed to intrinsically regulate the direction of photogenerated carriers transfer,resulting in a CO yield of 42.97 mmol g-1h-1(1290.3μmol h-1) with a selectivity near to 100%.InNi alloy favors the collection of photogenerated carriers by the parallel way and enhancement of the adsorption and activation of *** grown on the surface of InNi alloy not only improves the adsorption of H2and provides sufficient H+for the reaction,but also makes InNi alloy more stable during the reaction *** photothermal effect caused by In2O3accelerates the transfer of photogenerated carriers and increases the surface temperature of the catalyst,thereby synergistically promoting the reaction from a kinetic *** work ameliorates the kinetic and thermodynamic limitations of the photothermal catalytic CO2hydrogenation process through rationally designing the electron transfer direction of the sandwich structured catalysts to parallel way.

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Engineering N3C vacancies in hierarchical porous carbon nitride nanosheets for room temperature ultradeep photocatalytic aerobic oxidative desulfurization

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science China Chemistry 2025年

作者： Yina Nie Weijie Yang Xin Wang Xiang Li Lele Wei Xiaolin Bai Lin Liu Feng Fu Jun Wan College of Chemistry & Chemical Engineering Research Institute of Comprehensive Energy Industrial Technology Shaanxi Key Laboratory of Chemical Reaction Engineering Yan'an University Anhui Engineering research center of carbon Neutrality College of Chemistry and Materials Science Anhui Normal University

The production of ultra-low sulfur clean fuels holds global significance for improving energy efficiency and reducing environmental pollution. Photocatalytic aerobic oxidative desulfurization（PODS） offers an attractive approach to efficiently remove refractory heterocyclic aromatic sulfur compounds under mild conditions. However, the sluggish charge dynamics,insufficient molecule activation, and slow mass transfer within photocatalysts restrict the overall desulfurization efficiency,hindering the widespread application of this technology. Herein, we developed a defective g-C3N4（M1U3CN） photocatalyst with bridged N3Cvacancies and hierarchical porous structures to address these limitations. This catalyst not only demonstrates outstanding dibenzothiophene（DBT） removal efficiency of 99.6% for model oil with high conversion and selectivity but also achieves complete sulfur removal from gasoline as well as 96.7% sulfur removal for distilled diesel at room temperature,successfully achieving ultradeep aerobic oxidative desulfurization. The introduction of rich N3Cvacancies and abundant micromeso-macroporous distribution in M1U3CN enhances kinetic efficiencies by promoting charge carrier separation, mass transfer,and molecular activation simultaneously; resulting in exceptional PODS performance. This work provides a collaborative strategy to overcome kinetic challenges in aerobic oxidative desulfurization via defect and structural engineering of the catalyst.

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Identifying the dynamic behaviors in complete reconstruction of Co-based complex precatalysts during electrocatalytic oxygen evolution

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Journal of Energy Chemistry 2025年第1期100卷 226-233页

作者： Jingfang Zhang Danyang Wu Linke Cai Youluan Lu Fanpeng Cheng Lijuan Shi Qun Yi Yao Liu Yi Huang Key Laboratory of Green Chemical Engineering Process of Ministry of Education Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education Hubei Key Laboratory of Novel Reactor and Green Chemical Technology School of Chemical Engineering & Pharmacy Wuhan Institute of Technology Key Laboratory of Pesticide & Chemical Biology of Ministry of Education Engineering Research Center of Photoenergy Utilization for Pollution Control and Carbon Reduction of Ministry of Education College of Chemistry Central China Normal University College of Materials science and Engineering Fuzhou University

Transition metal-based nanomaterials have emerged as promising electrocatalysts for oxygen evolution reaction（OER）. Considerable research efforts have shown that self-reconstruction occurs on these nanomaterials under operating conditions of OER process. However, most of them undergo incomplete reconstruction with limited thickness of reconstruction layer, leading to low component utilization and arduous exploration of real catalytic mechanism. Herein, we identify the dynamic behaviors in complete reconstruction of Co-based complexes during OER. The hollow phytic acid（PA） cross-linked CoFe-based complex nanoboxes with porous nanowalls are designed because of their good electrolyte penetration and mass transport ability, in favor of the fast and complete reconstruction. A series of experiment characterizations demonstrate that the reconstruction process includes the fast substitution of PA by OH-to form Co（Fe）(OH)xand subsequent potential-driven oxidation to Co（Fe）OOH. The obtained CoFeOOH delivers a low overpotential of 290 mV at a current density of 10 mA cm-2and a long-term *** experiment results together with theory calculations reveal that the Fe incorporation can result in the electron rearrangement of reconstructed CoFeOOH and optimization of their electronic structure,accounting for the enhanced OER activity. The work provides new insights into complete reconstruction of metal-based complexes during OER and offers guidelines for rational design of high-performance electrocatalysts.

关键词： Oxygen evolution reaction

Dual‑Donor‑Induced Crystallinity Modulation Enables 19.23% Efficiency Organic Solar Cells

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Nano-Micro Letters 2025年第3期17卷 376-388页

作者： Anhai Liang Yuqing Sun Sein Chung Jiyeong Shin Kangbo Sun Chaofeng Zhu Jingjing Zhao Zhenmin Zhao Yufei Zhong Guangye Zhang Kilwon Cho Zhipeng Kan center On Nanoenergy research Institute of Science and Technology for Carbon Peak&NeutralitySchool of Physical Science&TechnologyGuangxi UniversityNanning 530004People’s Republic of China Department of Chemical Engineering Pohang University of Science and TechnologyPohang 37673South Korea College of New Materials and New Energies Shenzhen Technology UniversityShenzhen 518118People’s Republic of China Zhejiang Engineering research center for Fabrication and Application of Advanced Photovoltaic Materials School of Materials Science and EngineeringNingboTech UniversityNingbo 315100People’s Republic of China State Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures Nanning 530004People’s Republic of China

Trap-assisted charge recombination is one of the primary limitationsof restricting the performance of organic solar cells. However, effectivelyreducing the presence of traps in the photoactive layer remains ***, wide bandgap polymer donor PTzBI-dF is demonstrated as an effectivemodulator for enhancing the crystallinity of the bulk heterojunction active layerscomposed of D18 derivatives blended with Y6, leading to dense and orderedmolecular packings, and thus, improves photoluminescence quenching *** a result, the photovoltaic devices exhibit reduced trap-assisted charge recombinationlosses, achieving an optimized power conversion efficiency of over 19%.Besides the efficiency enhancement, the devices comprised of PTzBI-dF as athird component simultaneously attain decreased current leakage, improved chargecarrier mobilities, and suppressed bimolecular charge recombination, leading toreduced energy losses. The advanced crystalline structures induced by PTzBI-dFand its characteristics, such as well-aligned energy level, and complementaryabsorption spectra, are ascribed to the promising performance *** findings suggest that donor phase engineering is a feasible approach to tuning the molecular packings in the active layer, providingguidelines for designing effective morphology modulators for high-performance organic solar cells.

关键词： Trap-assisted charge recombination Photoluminescence Miscibility Current leakage Power conversion efficiency

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