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From ore to MOF: A case of MIL-100(Fe) production from iron ore concentrates

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Progress in Natural Science:Materials International 2024年第1期34卷 66-73页

作者： Miao Chang Chiyao Tang Chong-Chen Wang Chen Zhao Beijing key laboratory of Functional Materials for Building structure and environment Remediation School of Environment and Energy Engineering Beijing University of Civil Engineering and Architecture

Within this work, iron ore concentrates instead of elemental iron Fe0and iron salts like Fe（NO3）3and FeCl3were selected as iron source to prepare MIL-100（Fe）(labeled as MIL-100（Fe）-ore). The corresponding synthesis cost is reduced to half of the MIL-100（Fe） produced from elemental iron and iron salts. As well, the unreacted iron ore concentrates can be easily separated from the as-prepared MIL-100（Fe）-ore by magnetic to facilitate the purification process, free of the strong acids to wash the residual iron. The as-obtained MIL-100（Fe）-ore with Langmuir surface area up to 2281.6 m2g-1displayed long-term chemical stability. Furthermore, the sorption capacity of MIL-100（Fe）-ore towards malachite green（MG） is up to 522.3 mg g-1at 25℃ and initial pH = 3.2, higher than that of MIL-100（Fe） yielded by conventional hydrothermal process. Finally, the production cost and life cycle assessment of MIL-100（Fe）-ore were compared with other traditional production procedures. The results revealed that our work greatly reduced the synthesis cost and enhanced the environmental sustainability.

关键词： Metal-organic framework Iron ore concentrates Adsorption Life cycle assessment

Metal-organic frameworks on 3D interconnected macroporous sponge foams for large-scale water decontamination:A mini review

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Chinese Chemical Letters 2024年第5期35卷 77-84页

作者： Xiao-Hong Yi Chong-Chen Wang Beijing key laboratory of Functional Materials for Building structure and environment Remediation School of Environment and Energy EngineeringBeijing University of Civil Engineering and ArchitectureBeijing 100044China

Water pollution caused by global population growth,urban expansion and industrialization development is one of the urgent issues that need to be addressed in the 21st century.Up to now,it was challenging for metal-organic frameworks(MOFs)to be used in the actual water treatment due to that the powder MOFs suffered from difficult reuse,poor water stability and easy corrosion.It is an effective strategy to immobilize MOFs powder onto porous sponge foam carriers for accomplishing large flux,facile recycling,easy processing water treatment setups.In this review article,the fabrication approaches and applications of different MOFs/sponge composites were highlighted,in which the fluorescence detection of pollutants,adsorption and separation of pollutants,catalytic reduction and oxidation of pollutants were included.Finally,the future challenges and opportunities of MOF/sponge for water treatment are proposed,aiming to provide in-depth guidance for the future design and manufacture of the immobilized MOFs onto sponge foams.

关键词： Metal-organic frameworks Sponge foam Water decontamination Adsorption Catalysis

Integrated multi-scale approach combining global homogenization and local refinement for multi-field analysis of high-temperature superconducting composite magnets

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Applied Mathematics and Mechanics(English Edition) 2024年第5期45卷 747-762页

作者： Hanxiao GUO Peifeng GAO Xingzhe WANG key laboratory of Mechanics on Western Disaster and environment of Ministry of Education Key Laboratory of Special Function Materials and Structure Design of Ministry of EducationCollege of Civil Engineering and MechanicsLanzhou UniversityLanzhou 730000China

Second-generation high-temperature superconducting(HTS)conductors,specifically rare earth-barium-copper-oxide(REBCO)coated conductor(CC)tapes,are promising candidates for high-energy and high-field superconducting applications.With respect to epoxy-impregnated REBCO composite magnets that comprise multilayer components,the thermomechanical characteristics of each component differ considerably under extremely low temperatures and strong electromagnetic fields.Traditional numerical models include homogenized orthotropic models,which simplify overall field calculation but miss detailed multi-physics aspects,and full refinement(FR)ones that are thorough but computationally demanding.Herein,we propose an extended multi-scale approach for analyzing the multi-field characteristics of an epoxy-impregnated composite magnet assembled by HTS pancake coils.This approach combines a global homogenization(GH)scheme based on the homogenized electromagnetic T-A model,a method for solving Maxwell's equations for superconducting materials based on the current vector potential T and the magnetic field vector potential A,and a homogenized orthotropic thermoelastic model to assess the electromagnetic and thermoelastic properties at the macroscopic scale.We then identify“dangerous regions”at the macroscopic scale and obtain finer details using a local refinement(LR)scheme to capture the responses of each component material in the HTS composite tapes at the mesoscopic scale.The results of the present GH-LR multi-scale approach agree well with those of the FR scheme and the experimental data in the literature,indicating that the present approach is accurate and efficient.The proposed GH-LR multi-scale approach can serve as a valuable tool for evaluating the risk of failure in large-scale HTS composite magnets.

关键词： epoxy-impregnated high-temperature superconducting(HTS)magnet multi-scale method global homogenization(GH) local refinement(LR) multi-field analysis

Acetylacetone effectively controlled the secondary metabolites of Microcystis aeruginosa under simulated sunlight irradiation

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Journal of environmental Sciences 2024年第1期135卷 285-295页

作者： Xiaomeng Wang Yixin Luo Shujuan Zhang Lixiang Zhou Department of environmental engineering College of Resources and Environmental SciencesNanjing Agricultural UniversityNanjing 210095China The State key laboratory of Pollution Control and Resource Reuse School of the EnvironmentNanjing UniversityNanjing 210023China

Inactivation of cyanobacterial cells and simultaneous control of secondary metabolites is of significant necessity for the treatment of cyanobacteria-laden water.Acetylacetone(AcAc)has been reported a specific algicide to inactivate Microcystis aeruginosa(M.aeruginosa)and an effective light activator to degrade pollutants.This study systematically investigated the photodegradation ability of AcAc under xenon(Xe)irradiation on the secondary metabolites of M.aeruginosa,mainly algal organic matter(AOM),especially toxic microcystin-LR(MC-LR).Results showed that AcAc outperformed H_(2)O_(2)in destructing the protein-like substances,humic acid-like matters,aromatic proteins and fulvic-like substances of AOM.For MC-LR(250μg/L),0.05 mmol/L AcAc attained the same degradation efficiency(87.0%)as 0.1mmol/L H_(2)O_(2).The degradation mechanism of Xe/AcAc might involve photo-induced energy/electron transfer and formation of carbon center radicals.Alkaline conditions(pH>9.0)were detrimental to the photoactivity of AcAc,corresponding to the observed degradation rate constant(k_(1)value)of MC-LR drastically decreasing to 0.0013 min^(-1)as solution pH exceeded 9.0.The PO_(4)^(3-)and HCO_(3)^(-)ions had obvious inhibition effects,whereas NO_(3)^(-)slightly improved k_(1)value from 0.0277 min^(-1)to 0.0321 min^(-1).The presence of AOM did not significantly inhibit MC-LR degradation in Xe/AcAc system.In addition,the biological toxicity of MC-LR was greatly reduced after photoreaction.These results demonstrated that AcAc was an alternative algicidal agent to effectively inactivate algal cells and simultaneously control the secondary metabolites after cell lysis.Nevertheless,the concentration and irradiation conditions should be further optimized in practical application.

关键词： Microcystis aeruginosa Photodegradation Acetylacetone Secondary metabolites Microcystin

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

Beyond microbial carbon use efficiency

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National Science Review 2024年第4期11卷 33-35页

作者： Ke-Qing Xiao Chao Liang Zimeng Wang Jingjing Peng Yao Zhao Ming Zhang Mingyu Zhao Shuiqing Chen Yong-Guan Zhu Caroline L.Peacock State key Lab of Urban and Regional Ecology Research Center for Eco-Environmental SciencesChinese Academy of Sciences University of Chinese Academy of Sciences Institute of Applied Ecology Chinese Academy of Sciences Department of environmental Science and engineering Fudan University College of Resources and environmental Sciences China Agricultural University State key laboratory of environmental Criteria and Risk Assessment Chinese Research Academy of Environmental Sciences State key laboratory of agricultural Microbiology College of Resources and Environment Huazhong Agricultural University key laboratory of Cenozoic Geology and environment Institute of Geology and Geophysics Chinese Academy of Sciences School of Earth and environment University of Leeds

Microbial carbon use efficiency (CUE)is defined as the proportion of microbial biomass growth C versus substrate C uptake, and thus provides a useful measure of microbially driven accumulation and loss of soil organic carbon (SOC)[1]. In a recent study published in Nature [2],the authors used a data-driven machinelearning approach to conclude that CUE promotes global SOC storage based on a positive correlation between CUE and SOC content and that, based on sensitivity analysis, CUE is at least four times as important as six other evaluated factors,namely plant C inputs, C input allocation, non-microbial C transfer, substrate decomposability, environmental modifications and vertical transport.

关键词： SOIL-CARBON ORGANIC-MATTER

Stability analysis of intermittently jointed rock slopes based on the stepped failure mode

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Journal of Mountain Science 2024年第3期21卷 1019-1035页

作者： LI Dejian FU Junwen LI Hekai CHENG Xiao ZHAO Lianheng ZHANG Yingbin PENG Xinyan School of Civil engineering Southwest Jiaotong UniversityChengdu 610031China Institute for Disaster Management and Reconstruction College of Architecture&EnvironmentSichuan UniversityChengdu 610065China School of Civil engineering Key Laboratory of Heavy-Haul Railway Engineering StructureMinistry of EducationHunan Provincial Key Laboratory for Disaster Prevention and Mitigation of Rail Transit Engineering StructureCentral South UniversityChangsha 410075China

In practical engineering,due to the noncontinuity characteristics of joints in rock slopes,in addition to plane failure,stepped sliding failure may occur for intermittently jointed rock slopes.Especially for intermittently bedding jointed rock slopes,the correlation and difference in strength parameters between joints and rock bridges,along with the various failure modes and intermittency of rock bridges,contribute to the complexity of stepped failure modes and the unpredictability of failure regions.Based on the upper-bound limit analysis method and multi-sliders step-path failure mode,considering the shear and tensile failure of rock bridges and the weakened relationship between the strength parameters of rock bridges and jointed surfaces,by introducing the modified M-C failure criterion and the formula for calculating the energy consumption of tensile failure of rock bridges,two failure mechanisms are constructed to obtain the safety factor(F_(s))of intermittently jointed rock slopes.The sequential quadratic programming method is used to obtain the optimal upper-bound solution for F_(s).The influence of multiple key parameters(slope height H,horizontal distance L,Slope angleβ,shear strength parameters of the rock bridgeφr and cr,Dimensionless parameter u,weakening coefficients of the internal friction angle and cohesion between the rock bridges and joint surfaces Kφand Kc)on the stability analysis of intermittently jointed rock slopes under the shear failure mode of rock bridges as well as under the tensile failure mode is also explored.The reliability of the failure mechanisms is verified by comparative analysis with theoretical results,numerical results,and landslide cases,and the variation rules of F_(s)with each key parameter are obtained.The results show that F_(s) varies linearly withφr and cr of the rock bridge and with K_(φ)and K_(c),whereas F_(s)changes nonlinearly with H and L.In particular,with the increase in Kφand Kc,Fs increases by approximately 52.78%and 171.02%on average,respectively.For rock b

关键词： Jointed rock slopes Stepped sliding failure Weakening characteristics Modified M‒C failure criterion

Microstructural evolution,mechanical properties and degradation mechanism of PS-PVD quasi-columnar thermal barrier coatings exposed to glassy CMAS deposits

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Rare Metals 2024年第7期43卷 3329-3340页

作者： Zi-Yue Yu Liang-Liang Wei Xing-Ye Guo Bao-Peng Zhang Qing He Hong-Bo Guo School of Materials Science and engineering Beihang University key laboratory of High-Temperature structure Materials and Protective Coatings (Ministry of Industry and Information Technology) Beihang University Surface engineering Research Institute Chinese Academy of Agricultural Mechanization Sciences

Thermal barrier coatings（TBCs） applied in aeroengines tend to be attacked by molten calcia-magnesiaalumino-silicate（CMAS） at high operating temperatures.Yttria-stabilized zirconia（YSZ） coatings with quasicolumnar microstructure were fabricated by plasma spray physical vapor deposition（PS-PVD） technique.The chemic al changes,micros tructural transform ation,mechanical properties and degradation mechanisms of the CM AS-interacted TBCs in the thermal cycling tests were investigated.Feathered YSZ grains were dissolved in the CMAS melts,and then the ZrO2grains were reprecipitated with spherical shape,accompanying with phase transformation from tetragonal（t） to monoclinic（m）.The thermal cycling tests reveal that the YSZ coating fails at the early stage due to the attack of CMAS.The fractures in intracolumns lead to partial spallation of the coatings.The failure of the coating occurs at the interfaces between thermally grown oxides（TGO） layer and YSZ topcoat;especially,the hardness and Young's modulus of the YSZ coatings increase intensively,as the coatings were infiltrated by the CMAS for a long time.

关键词： CMAS Thermal barrier coatings Young’s modulus Thermal cycling behavior PS-PVD

Facet-dependent activation of oxalic acid over hematite nanocrystals under the irradiation of visible light for efficient degradation of pollutants

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Journal of environmental Sciences 2024年第8期142卷 204-214页

作者： Zhixiong Yang Yuan Li Xiaotian Wang Jiaming Li Jiquan Wang Gaoke Zhang Hubei key laboratory of Mineral Resources Processing and environment State Key Laboratory of Silicate Materials for ArchitecturesWuhan University of TechnologyWuhan 430070China Hubei engineering Consulting Co. Ltd.Wuhan 430071China

Naturally occurring hematite has been widely studied in the Fenton-like system for water pollutant remediation due to its abundance and non-toxicity.However,its inadequate catalytic activity results in difficulty in effectively degrading pollutants in the catalytic degradation system that it constitutes.Thus,we constructed a photochemical system composed of hematite with{001}facet of high activity facet and low-cost and non-toxic oxalic acid(OA)for the removal of various types of pollutants.The removal rate for the degradation of metronidazole,tetracycline hydrochloride,Rhodamine B,and hexavalent chromium by hematite nanoplate with the exposed{001}facet activating OA under visible light irradiation was 4.75,2.25,2.33,and 2.74 times than that by the exposed{110}facet,respectively.Density functional theory(DFT)calculation proved that the OA molecule was more easily adsorbed on the{001}facet of hematite than that on the{110}facet,which would favor the formation of the more Fe(Ⅲ)-OA complex and reactive species.In addition,the reactive site of metronidazole for the attraction of radicals was identified on the basis of the DFT calculation on the molecular occupied orbitals,and the possible degradation pathway for metronidazole included carbon chain fracture,hydroxyethyl-cleavage,denitrogenation,and hydroxylation.Thus,this finding may offer a valuable direction in designing an efficient iron-based catalyst based on facet engineering for the improved activity of Fenton-like systems such as OA activation.

关键词： Hematite Facet exposure Oxalic acid activation Fenton-like system Pollutant removal