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Journal of environmental sciences 2024年第1期135卷 232-241页

作者： Chundi Zhou Caiyun Han Nengsheng Liu faculty of Material and environment Guangxi University for NationalitiesNanning 530008China College of environmental science and engineering Tongji UniversityShanghai 200092China faculty of Metallurgical and Energy engineering Kunming University of Science and TechnologyKunming 650093China

Sulfidated nano zero-valent iron particles were immobilized on ZSM-5 zeolite(Z/S-nZⅥ)and used for hexavalent chromium(Cr(Ⅵ))remediation.The performance of Z/S-nZⅥimproved with the increase in Cr(Ⅵ)concentration(0.6).Moreover,the removal mechanisms of Cr(Ⅵ)were elucidated through XRD,transmission electron microscopy(TEM)and XPS techniques.This results demonstrate that the species of chromium in the critical layer changed from Cr(Ⅲ)to Cr(Ⅵ)as the concentration of chromium increased from low to high.Furthermore,the critical layer was composed of Cr(Ⅵ),Fe(Ⅱ),O and H elements.Additionally,the experiments of coexisting ions and aging time confirmed that Z/S-nZⅥpossessed high selectivity and stability to ensure efficiency and cost-effectiveness in practical applications.

关键词： Cr(VI) Corrosion Critical layer Selectivity Stability

High efficiency removal of NO using waste calcium carbide slag by facile KOH modification

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Journal of environmental sciences 2024年第5期139卷 182-192页

作者： Fang Wang Hui Li Jiyun Gao Na Geng Enzhu Jiang Futing Xia Mingwu Xiang Lijuan Jia Ping Ning School of Chemistry and environment Yunnan Minzu UniversityKunming 650504China faculty of environmental science and engineering Kunming University of Science and TechnologyKunming 650500China

Waste calcium carbide slags(CS),which are widely applied to desulfurisation,are not typically used in denitration.Herein,to well achieve waste control by waste,a facile and highefficiency denitration strategy is developed using KOH to modify the calcium carbide slags(KCS).Various KCS samples were investigated using a series of physical and chemical characterisations.The performance test results showed that the KOH concentration and reaction temperature are the main factors affecting the denitration efficiency of KCS,and CS modified with 1.5 mol/L KOH(KCS-1.5)can achieve 100% denitration efficiency at 300℃.Such excellent removal efficiency is due to the catalytic oxidation of the oxygen-containing functional groups derived from the KCS.Further studies showed that KOH treatment significantly increased the concentration of oxygen vacancies,nitro compounds,and basic sites of CS.This study provides a novel strategy for the resource utilisation of waste CS in the future.

关键词： Waste Carbide slag KOH Effective denitration

High-resolution multi-scale air pollution system:Evaluation of modelling performance and emission control strategies

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Journal of environmental sciences 2024年第3期137卷 65-81页

作者： Diogo Lopes Joana Ferreira Sandra Rafael Ka In Hoi Xin Li Yuan Liu Ka-Veng Yuen Kai Meng Mok Ana Isabel Miranda Department of environment and Planning&CESAM University of AveiroAveiroPortugal Department of Civil&environmental engineering Faculty of Science and TechnologyUniversity of MacaoMacao SARChina

A high percentage of the world's population lives in areas where air pollutant concentrations exceed the World Health Organization guidelines.This work aims to develop and test,a high-resolution multi-scale air pollution modelling system by integrating a set of adequate tools.This system is able to provide detailed air pollutant concentrations in urban areas and support air quality management strategies through a better identification of different atmospheric processes.It also allows furthering the design and assessment of air pollution control measures for a specific area.To evaluate its performance and suitability,the system was applied to the Macao Special Administrative Region(SAR),China,one of the most densely populated areas on earth,during a winter period when this area is affected by high levels of Particulate Matter(PM).Although the developed system tends to underestimate the PM concentrations,it revealed a good performance in reproducing the temporal and spatial air pollution patterns.Several exceedances of the Chinese air quality standards were calculated and high population exposure to PM pollution was estimated.The tested urban atmospheric emission reduction scenarios have shown air quality improvements,indicating that emission reduction measures at urban level should focus on the domestic sector.However,it is crucial to implement joint pollution prevention strategies with neighbouring regions to improve the air quality in Macao SAR.The approach developed in this work can support policymakers in defining new strategies to reduce atmospheric pollution in urban areas.

关键词： Urban areas High-resolution emission inventory Particulate matter Population exposure

Evaluating different levels of information on the calibration of building energy simulation models

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Building Simulation 2024年第4期17卷 657-676页

作者： Siyu Cheng Zeynep Duygu Tekler Hongyuan Ji Wenxin Li Adrian Chong Department of the built environment College of Design and EngineeringNational University of Singapore4 Architecture DriveSingapore117566Singapore School of Civil engineering and Architecture Chongqing University of Science and TechnologyChongqing401331China School of Energy and environment Southeast UniversityNanjing210096China

A poorly calibrated model undermines confidence in the effectiveness of building energy simulation, impeding the widespread application of advanced energy conservation measures (ECMs). Striking a balance between information-gathering efforts and achieving sufficient model credibility is crucial but often obscured by ambiguities. To address this gap, we model and calibrate a test bed with different levels of information (LOI). Beginning with an initial model based on building geometry (LOI 1), we progressively introduce additional information, including nameplate information (LOI 2), envelope conductivity (LOI 3), zone infiltration rate (LOI 4), AHU fan power (LOI 5), and HVAC data (LOI 6). The models are evaluated for accuracy, consistency, and the robustness of their predictions. Our results indicate that adding more information for calibration leads to improved data fit. However, this improvement is not uniform across all observed outputs due to identifiability issues. Furthermore, for energy-saving analysis, adding more information can significantly affect the projected energy savings by up to two times. Nevertheless, for ECM ranking, models that did not meet ASHRAE 14 accuracy thresholds can yield correct retrofit decisions. These findings underscore equifinality in modeling complex building systems. Clearly, predictive accuracy is not synonymous with model credibility. Therefore, to balance efforts in information-gathering and model reliability, it is crucial to (1) determine the minimum level of information required for calibration compatible with its intended purpose and (2) calibrate models with information closely linked to all outputs of interest, particularly when simultaneous accuracy for multiple outputs is necessary.

关键词： calibration building energy simulation(BES) energy conservation measure(ECM) level of information field measurements

Theoretical insights of the pharmaceutical compound fluoxetine in water:Role in direct photolysis and indirect photolysis by free radicals

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Journal of environmental sciences 2024年第8期142卷 269-278页

作者： Ying Lu Se Wang Yifan Shen School of environmental science and engineering Collaborative Innovation Center of Atmospheric Environment and Equipment TechnologyJiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution ControlNanjing University of Information Science and TechnologyNanjing 210044China

The frequent detection of pharmaceutical compounds in the environment has led to a growing awareness,which may pose a major threat to the aquatic environment.In this study,photodegradation(direct and indirect photolysis)of two different dissociation states of fluoxetine(FLU)was investigated in water,mainly including the determination of photolytic transition states and products,and the mechanisms of indirect photodegradation with·OH,CO_(3)^(*-)and NO_(3)^(*).The main direct photolysis pathways are defluorination and C–C bond cleavage.In addition,the indirect photodegradation of FLU in water is mainly through the reactions with·OH and NO_(3)^(*),and the photodegradation reaction with CO_(3)^(*-)is relatively difficult to occur in the water environment.Our results provide a theoretical basis for understanding the phototransformation process of FLU in the water environment and assessing its potential risk.

关键词： Fluoxetine Photochemical mechanism Direct photolysis Free radical reaction DFT

Advancements in materials for hydrogen production:A review of cutting-edge technologies

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ChemPhysMater

ChemPhysMater 2024年第1期3卷 64-73页

作者： Ahmed Alamiery Department of Chemical and Process engineering Faculty of Engineering and Built EnvironmentUniversity Kebangsaan Malaysia(UKM)Bangi P.O.Box 43000SelangorMalaysia

Hydrogen,a clean and versatile energy carrier,has gained significant attention as a potential solution for addressing the challenges of climate change and energy sustainability.Efficient hydrogen production relies heavily on the development of advanced materials that enable cost-effective and sustainable methods.This review article presents a comprehensive overview of cutting-edge materials used for hydrogen production,covering both traditional and emerging technologies.This article begins by briefly introducing the importance of hydrogen as a clean energy carrier and various methods used for hydrogen production.This emphasizes the critical role of these materials in enabling efficient hydrogen generation.Traditional methods,such as steam methane reforming,coal gasification,biomass gasification,and water electrolysis,are discussed,highlighting the materials used and their advantages and limitations.This review then focuses on emerging technologies that have shown promise for achieving efficient hydrogen production.Photocatalytic water splitting is explored with an emphasis on recent advancements in semiconductor-based photocatalysts and nanostructured materials for enhanced photocatalysis.Solid oxide electrolysis cells(SOEC)are examined,discussing high-temperature electrolysis materials and advancements in electrolytes and electrode materials.Biological hydrogen production and chemical looping are also discussed,highlighting the use of microorganisms,bioengineered systems,metal oxides as oxygen carriers,and catalysts for improved hydrogen generation.Advanced characterization techniques,including X-ray diffraction,spectroscopy,scanning electron microscopy,transmission electron microscopy,X-ray photoelectron spectroscopy,Auger electron spectroscopy,thermogravimetric analysis,and differential scanning calorimetry,have been used to gain insight into the properties and performances of materials.This review concludes by addressing the challenges and prospects in the field of hydrogen production materials.This highlight

关键词： Hydrogen production Cutting-edge technologies in hydrogen generation Sustainable hydrogen Clean energy

Reinforcing oxygen electrocatalytic activity via selective dualphase heterointerface engineering for rechargeable Zn-air batteries

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Rare Metals 2024年第4期43卷 1524-1536页

作者： Chao Cheng Chuang Zhi Zhong-Ti Sun Yong-Qiang Ming Ting-Ting Xiang Qing-Chao Zhu Zi-Rui Wu Bing Li Yi Li Cheng Jin Yong Cao Juan Yang School of Materials science and engineering Jiangsu University faculty of Material science and engineering Kunming University of Science and Technology

Dual-phase heterointerface electrocatalysts（DPHE） constructed by oxygen reduction reaction（ORR）-and oxygen evolution reaction（OER）-active elements exhibit excellent bifunctional activity and long-term durability due to the abundant interface exposure and synergistic catalytic effect.Herein,low-dimensional N-doped graphene nanoribbons（N-GNRs） coupling with ultrathin CoO nanocomposites（N-GNRs/CoO） were controllably fabricated through a facile two-step approach using synthesized Co（OH）2nanosheet as CoO precursor.Density functional theory（DFT） calculations and experimental characterizations prove that the formation of interface between N-GNRs and CoO can induce local charge redistribution,contributing to the improvement of catalytic activity and stability.The optimal N-GNRs/CoO DPHE possesses hierarchically porous architectures and presents outstanding bifunctional activities with a small potential gap of 0.729 V between the potential at 10 mA·cm-2for OER and the halfwave potential for ORR,which outperforms Pt/C+IrO2and the majority of noble-metal-free bifunctional catalysts.Liquid-and solid-state rechargeable Zn-air batteries assembled with N-GNRs/CoO as the cathode also display high peak power density and fantastic cycle stability,superior to that of benchmark Pt/C +IrO2catalyst.It is anticipated to offer significant benefits toward high activity,stability and mechanical flexibility bifunctional oxygen electrocatalysts for rechargeable Zn-air batteries.

关键词： Interface engineering Graphene nanoribbons CoO Bifunctional electrocatalyst Zn–air batteries

A comparison of model choice strategies for logistic regression

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Journal of Data and Information science 2024年第1期9卷 37-52页

作者： Markku Karhunen built environment Solutions unit Finnish Environment Institute(Syke)Latokartanonkaari 1100790 HelsinkiFinland

Purpose:The purpose of this study is to develop and compare model choice strategies in context of logistic regression.Model choice means the choice of the covariates to be included in the model.Design/methodology/approach:The study is based on Monte Carlo simulations.The methods are compared in terms of three measures of accuracy:specificity and two kinds of sensitivity.A loss function combining sensitivity and specificity is introduced and used for a final comparison.Findings:The choice of method depends on how much the users emphasize sensitivity against specificity.It also depends on the sample size.For a typical logistic regression setting with a moderate sample size and a small to moderate effect size,either BIC,BICc or Lasso seems to be optimal.Research limitations:Numerical simulations cannot cover the whole range of data-generating processes occurring with real-world data.Thus,more simulations are needed.Practical implications:Researchers can refer to these results if they believe that their data-generating process is somewhat similar to some of the scenarios presented in this paper.Alternatively,they could run their own simulations and calculate the loss function.Originality/value:This is a systematic comparison of model choice algorithms and heuristics in context of logistic regression.The distinction between two types of sensitivity and a comparison based on a loss function are methodological novelties.

关键词： Model choice Logistic regression Logit regression Monte Carlo simulations Sensitivity Specificity

Boosting the catalytic performance of Cu-SAPO-34in NO_(x) removal via hydrothermal treatment

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Journal of environmental sciences 2024年第1期135卷 640-655页

作者： Xiaoyan Tian Huimin Wang Siyuan Xu Lianyun Gao Jinyan Cao Jianjun Chen Qiulin Zhang Ping Ning Jiming Hao faculty of environmental science and engineering Kunming University of Science and TechnologyKunming 650500China National-Regional engineering Center for Recovery of Waste Gases from Metallurgical and Chemical Industries Kunming University of Science and TechnologyKunming 650500China School of environment State Key Joint Laboratory of Environment Simulation and Pollution ControlTsinghua UniversityBeijing 100084China

Phosphate ions promoted Cu-SAPO-34(P-Cu-SAPO-34)were prepared using bulk CuO particles as Cu^(2+)precursor by a solid-state ion exchange technique for the selective catalytic reduction of NO_(x) with NH_3(NH_3-SCR).The effects of high temperature(H-T)hydrothermal aging on the NO_(x) removal(de-NO_(x))performance of Cu-SAPO-34 with and without phosphate ions were systematically investigated at atomic level.The results displayed that both Cu-SAPO-34 and P-Cu-SAPO-34 presented relatively poor NO_(x) removal activity with a low conversion(<30%)at 250-500℃.However,after H-T hydrothermal treatment(800℃ for 10 hr at 10%H_2O),these two samples showed significantly satisfied NO_(x) elimination performance with a quite high conversion(70%-90%)at 250-500℃.Additionally,phosphate ions decoration can further enhance the catalytic performance of Cu-SAPO-34 after hydrothermal treatment(Cu-SAPO-34H).The textural properties,morphologies,structural feature,acidity,redox characteristic,and surface-active species of the fresh and hydrothermally aged samples were analyzed using various characterization methods.The systematical characterization results revealed that increases of 28%of the isolated Cu^(2+)active species(Cu^(2+)-2Z,Cu(OH)^(+)-Z)mainly from bulk CuO and 50%of the Bronsted acid sites,the high dispersion of isolated Cu^(2+)active component as well as the Bronsted acid sites were mainly responsible for the accepted catalytic activity of these two hydrothermally aged samples,especially for P-Cu-SAPO-34H.

关键词： NH_(3)-SCR Cu-SAPO-34 Hydrothermal induced Phosphate ions

Building a domain-specific compiler for emerging processors with a reusable approach

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science China(Information sciences) 2024年第1期67卷 20-38页

作者： Mingzhen LI Yi LIU Bangduo CHEN Hailong YANG Zhongzhi LUAN Depei QIAN State Key Laboratory of Software Development environment School of Computer science and engineering Beihang University

High-performance computing and deep learning domains have been motivating the design of domain-specific processors.Although these processors can provide promising computation capability,they are notorious for exotic programming paradigms.To improve programming productivity and fully exploit the performance potential of these processors,domain-specific compilers(DSCs) have been proposed.However,building DSCs for emerging processors requires tremendous engineering efforts because the commonly used compilation stack is difficult to be reused.Owing to the advent of multilevel intermediate representation(MLIR),DSC developers can leverage reusable infrastructure to extend their customized functionalities without rebuilding the entire compilation stack.In this paper,we further demonstrate the effectiveness of MLIR by extending its reusable infrastructure to embrace a heterogeneous many-core processor(Sunway processor).In particular,we design a new Sunway dialect and corresponding backend for the Sunway processor,fully exploiting its architectural advantage and hiding its programming complexity.To show the ease of building a DSC,we leverage the Sunway dialect and existing MLIR dialects to build a stencil compiler for the Sunway processor.The experimental results show that our stencil compiler,built with a reusable approach,can even perform better than state-of-the-art stencil compilers.

关键词： domain-specific compiler emerging processor reusable dialect performance optimization MLIR