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Comprehensive study on the spatial distribution of heavy metals and their environmental risks in high-sulfur coal gangue dumps in China

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Journal of Environmental sciences 2024年第2期136卷 486-497页

作者： Yingbo Dong Huan Lu Hai Lin school of Energy and Environmental Engineering University of Science and Technology BeijingBeijing 100083China Beijing Key Laboratory on Resource-oriented Treatment of Industrial Pollutants Beijing 100083China

The accumulation of coal gangue(CG)from coal mining is an important source of heavy metals(HMs)in soil.Its spatial distribution and environment risk assessment are extremely important for the management and remediation of HMs.Eighty soil samples were collected from the high-sulfur CG site in northern China and analyzed for six HMs.The results showed that the soil was heavily contaminated by Mn,Cr and Ni based on the Nemerow index,and posed seriously ecological risk depended on the geo-accumulation index,potential ecological risk index and risk assessment code.The semi-variogram model and ordinary kriging interpolation accurately portrayed the spatial distribution of HMs.Fe,Mn,and Cr were distributed by band diffusion,Ni was distributed by core,the distribution of Cu had obvious patchiness and Zn was more uniform.The spatial autocorrelation indicated that all HMs had strong spatial heterogeneity.The BCR sequential extraction was employed to qualify the geochemical fractions of HMs.The data indicated that Fe and Cr were dominated by residual fraction;Cu,Ni and Zn were dominated by reducible and oxidizable fractions;Mn was dominated by reducible and acid-extractable(25.38%-44.67%)fractions.Pearson correlation analysis showed that pH was the main control factor affecting the non-residue fractions of HMs.Therefore,acid production from high sulfur CG reduced soil pH by 2-3,which indirectly promoted the activity of HMs.Finally,the conceptual model of HMs contamination at the CG site was proposed,which can be useful for the development of ecological remediation strategies.

关键词： High-sulfur coal gangue Soil contamination Heavy metals Spatial distribution Geochemical fractions Risk assessment

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Research progress on metal-organic framework compounds(MOFs)in electrocatalysis

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Journal of Environmental sciences 2024年第7期141卷 261-276页

作者： Yutong Guo Shunzheng Zhao Xiaolong Tang Honghong Yi Department of Environmental science and Engineering School of Energy and Environmental EngineeringUniversity of Science and Technology BeijingBeijing 100083China Beijing Key Laboratory of Resource-oriented Treatment of Industrial Pollutants Beijing 100083China

Metal-organic frameworks(MOFs)have favorable characteristics such as large specific surface area,high porosity,structural diversity,and pore surface modification,giving them great potential for development and attractive prospects in the research area of modern materials electrocatalysis.However,unsatisfactory catalytic activity and poor electronic conductivity are the main challenges facing MOFs.This review focuses on MOF-based materials used in electrocatalysis,based on the types of catalytic reactions that have used MOF-based materials in recent years along with their applications,and also looks at some new electrocatalytic materials and their future development prospects.

关键词： Metal-organic frame compounds Electrocatalysis Oxidation-reduction Nitrogen fixation to synthesize ammonia Carbon dioxide reduction

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Effect of strain on structure and electronic properties of monolayer C_(4)N_(4)

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Chinese Physics B 2024年第5期33卷 595-600页

作者：陈昊徐瑛赵家石周丹 school of Physics Changchun University of Science and TechnologyChangchun 130022China school of Computer science and technology Changchun University of Science and TechnologyChangchun 130022China

The first-principles calculations are performed to examine structural,mechanical,and electronic properties at large strain for a monolayer C_(4)N_(4),which has been predicted as an anchoring promising material to attenuate shuttle effect in Li–S batteries stemming from its large absorption energy and low diffusion energy barrier.Our results show that the ideal strengths of C_(4)N_(4)under tension and pure shear deformation conditions reach 13.9 GPa and 12.5 GPa when the strains are 0.07 and 0.28,respectively.The folded five-membered rings and diverse bonding modes between carbon and nitrogen atoms enhance the ability to resist plastic deformation of C_(4)N_(4).The orderly bond-rearranging behaviors under the weak tensile loading path along the[100]direction cause the impressive semiconductor–metal transition and inverse semiconductor–metal transition.The present results enrich the knowledge of the structure and electronic properties of C_(4)N_(4)under deformations and shed light on exploring other two-dimensional materials under diverse loading conditions.

关键词： two-dimensional materials strain effect structural evolution electronic properties

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Tungsten oxide/nitrogen-doped carbon nanotubes composite catalysts for enhanced redox kinetics in lithium-sulfur batteries

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Chinese Journal of Chemical Engineering 2024年第3期67卷 58-67页

作者： Deqing He Zihao Xie Qian Yang Wei Wang Chao Su school of Energy and Power Jiangsu University of Science and TechnologyZhenjiang 212100China State Key Laboratory of Materials-oriented Chemical Engineering College of Chemical EngineeringNanjing Tech UniversityNanjing 211816China

The sluggish redox kinetics of polysulfides in lithium-sulfur(Li-S)batteries are a significant obstacle to their widespread adoption as energy storage devices.However,recent studies have shown that tungsten oxide(WO_(3))can facilitate the conversion kinetics of polysulfides in Li-S batteries.Herein,we fabricated host materials for sulfur using nitrogen-doped carbon nanotubes(N-CNTs)and WO_(3).We used low-cost components and simple procedures to overcome the poor electrical conductivity that is a disadvantage of metal oxides.The composites of WO_(3) and N-CNTs(WO_(3)/N-CNTs)create a stable framework structure,fast ion diffusion channels,and a 3D electron transport network during electrochemical reaction processes.As a result,the WO_(3)/N-CNT-Li2S6 cathode demonstrates high initial capacity(1162 mA·h·g^(-1) at 0.5℃),excellent rate performance(618 mA·h·g^(-1) at 5.5℃),and a low capacity decay rate(0.093%up to 600 cycles at 2℃).This work presents a novel approach for preparing tungsten oxide/carbon composite catalysts that facilitate the redox kinetics of polysulfide conversion.

关键词： Li-S batteries Composites Ion diffusion channels 3D electron transport network Redox kinetics

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Low-temperature NH_(3)-SCR performance of a novel Chlorella@Mn composite denitrification catalyst

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Journal of Environmental sciences 2024年第3期137卷 271-286页

作者： Hengheng Liu Fengyu Gao Songjin Ko Ning Luo Xiaolong Tang Erhong Duan Honghong Yi Yuansong Zhou school of Energy and Environmental Engineering University of Science and Technology BeijingBeijing 100083China Beijing Key Laboratory of Resource-oriented Treatment of Industrial Pollutants Beijing 100083China school of Environmental science and Engineering University of Science and Technology HebeiHebei 050018China Department of Chemistry Pyongyang University of ArchitecturePyongyangDemocratic People’s Republic of Korea

The synthesis process of conventional Mn-based denitrification catalysts is relatively complex and expensive.In this paper,a resource application of chlorella was proposed,and a Chlorella@Mn composite denitrification catalyst was innovatively synthesized by electrostatic interaction.The Chlorella@Mn composite denitrification catalyst prepared under the optimal conditions(0.54 g/L Mn^(2+)concentration,20 million chlorellas/mL concentration,450℃ calcination temperature)exhibited a well-developed pore structure and large specific surface area(122 m^(2)/g).Compared with MnOx alone,the Chlorella@Mn composite catalyst achieved superior performance,with~100%NH_(3)selective catalytic reduction(NH_(3)-SCR)denitrification activity at 100-225℃.The results of NH_(3)temperature-programmed desorption(NH_(3)-TPD)and H_(2)temperature-programmed reduction(H_(2)-TPR)showed that the catalyst had strong acid sites and good redox properties.Zeta potential testing showed that the electronegativity of the chlorella cell surface could be used to enrich with Mn^(2+).X-ray photoelectron spectroscopy(XPS)confirmed that Chlorella@Mn had a high content of Mn^(3+)and surface chemisorbed oxygen.In-situ diffuse refectance infrared Fourier transform spectroscopy(in-situ DRIFTS)experimental results showed that both Langmuir-Hinshelwood(L-H)and Eley-Rideal(E-R)mechanisms play a role in the denitrification process on the surface of the Chlorella@Mn catalyst,where the main intermediate nitrate species is monodentate nitrite.The presence of SO_(2)promoted the generation and strengthening of Bronsted acid sites,but also generated more sulfate species on the surface,thereby reducing the denitrification activity of the Chlorella@Mn catalyst.The Chlorella@Mn composite catalyst had the characteristics of short preparation time,simple process and low cost,making it promising for industrial application.

关键词： Chlorella@Mn catalyst NH_(3)-SCR Poisoning resistance Reaction mechanism Infuence of SO_(2)

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Neural network study of the nuclear ground-state spin distribution within a random interaction ensemble

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Nuclear science and Techniques 2024年第3期35卷 216-227页

作者： Deng Liu Alam Noor A Zhen-Zhen Qin Yang Lei school of Mathematics and Physics Southwest University of Science and TechnologyMianyang 621010China school of Nuclear science and technology Southwest University of Science and TechnologyMianyang 621010China

The distribution of the nuclear ground-state spin in a two-body random ensemble(TBRE)was studied using a general classification neural network(NN)model with two-body interaction matrix elements as input features and the corresponding ground-state spins as labels or output predictions.The quantum many-body system problem exceeds the capability of our optimized NNs in terms of accurately predicting the ground-state spin of each sample within the TBRE.However,our NN model effectively captured the statistical properties of the ground-state spin because it learned the empirical regularity of the ground-state spin distribution in TBRE,as discovered by physicists.

关键词： Neural network Two-body random ensemble Spin distribution of nuclear ground state

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Constructing core@shell structured photothermal nanosphere with thin carbon layer confined Co-Mn bimetals for pollutant degradation and solar interfacial water evaporation

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Rare Metals 2024年第4期43卷 1686-1701页

作者： Hong-Yang Zhu Meng-Ting Liu Gang Wang Rong-Rong Du Hong-Yao Zhao Hao Lu shi-Qi Yang Sheng Tang Zeng-Jing Guo Jun Yang Cheng-Zhang Zhu Fu Yang school of Environmental and Chemical Engineering Jiangsu University of Science and Technology school of Chemistry and Chemical Engineering Liaocheng University school of Material science and Engineering Jiangsu University of Science and Technology school of Environmental science and Engineering Nanjing Tech University

Photothermal material applied in environmental governance has attracted growing attention.By combining the Stober method and dopamine-triggered coating strategy,Co-Mn precursor was in situ incorporated into the poly dopamine（PDA） layer over the surface of silica cores.Afterwards,a unique photothermal nanosphere with SiO2core and thin carbon layer and dual Co-Mn oxides shell was allowed to form by sequential heat treatment in the inert atmosphere（SiO2@CoMn/C）.The bimetallic fraction of Co/Mn in the carbon layer and post-treatment calcination temperature was comprehensively tuned to optimize the peroxymonosulfate（PMS） activation performance of the catalyst.The state of bimetallic species was studied including their physical distribution,chemical valence,and interplay by various characterizations.Impressively,Co oxides appear as dominant monodispersed nanoparticles（～ 10 nm）,while Mn with cluster-like morphology is observed to uniformly distribute over thin-layer carbon and adhered to the surface of SiO2nanospheres（～ 250 nm）.The calcined temperature could tune the oxidized state of Co species,leading to the optimization of the catalytic performance of introduced dual metal species.As a result,this obtained optimal catalyst integrated the advantages of exposed bimetallic CoMn species and N-doped thin carbon to deliver excellent catalytic PMS activation performance and photothermal synergetic catalytic mineralization ability for diversiform pollutants.Further reactions condition controls and anion interference studies were conducted to identify the adaptability of the optimal catalyst.Moreover,the application of solar-driven interfacial water evaporation using optimal SiO2@Co3Mn1/C-600 catalyst was explored,showing a high water evaporation rate of 1.48 kg·m-2·h-1and an efficiency of 95.2%,further revealing a comprehensive governance functionality of obtained material in the complex pollution condition.

关键词： Photothermal Peroxymonosulfate (PMS) activation Bimetallic synergy Water evaporation Advanced oxidation process

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Coupling N-doping and confined Co3O4 on carbon nanotubes by polydopamine coating strategy for pleiotropic water purification

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Rare Metals 2024年第7期43卷 3146-3160页

作者： Wen-Long Tu Gang Wang Yue Zhang Hong-Yang Zhu Rong-Rong Du Hong-Yao Zhao Sheng Tang Zeng-Jing Guo Jun Yang Fu Yang Cheng-Zhang Zhu school of Environmental and Chemical Engineering Jiangsu University of Science and Technology school of Chemistry and Chemical Engineering Liaocheng University school of Material science and Engineering Jiangsu University of Science and Technology school of Environmental science and Engineering Nanjing Tech University

The development of effective and sustainable solutions for pleiotropic water purification becomes urgent and attractive.Heterogeneous Fenton-like catalysts for activation of peroxymonosulfate（PMS） to purify organic wastewater show great promise.In this work,by tuning metal loading with an in-situ polydopamine coating strategy,oxygen vacancy-enriched Co3O4loading on N-doped carbon nanotubes（CNTs） were constructed to enhance PMS activation efficiency for pollutants degradation.Impressively,the obtained modified CNTs afford a well-developed N-containing network structure,which is further endowed with abundant Co（Ⅱ）/Co（Ⅲ） redox cycles and significant metal-carbon interactions.In particular,the surface N doping in CNTs might induce the oriented enrichment of pollutants around the catalyst,which reduces the migration distance and correspondingly improves the utilization of reactive oxidative species.The electron transfer efficiency of the catalyst can be further improved by incorporating oxygen vacancy-enriched Co3O4.The performance results show that the optimal NC/Co-1 could mineralize 20 × 10-6of bisphenol A（BPA） by almost 98% in 8 min.A low reaction activation energy(26.05 kJ·mol-1) in BPA degradation was demonstrated by the NC/Co-1.More importantly,NC/Co-1 can inherit excellent degradation performance towards oxytetracycline,2,4-dichlorophenol,and tetracycline,showing wide practical flexibility.In addition,by virtue of the photothermal conversion property,NC/Co-1 achieves an additive function for interfacial solar water evaporation(1.84 kg·m-2·h-1,112.51%),showing impressive potential for clean water recovery under complicated environmental pollution conditions.

关键词： Carbon nanotube Advanced oxidation process Co 3 O 4 Photothermal conversion Solar water evaporation

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Interface interaction between SiO_(2) and magnetite under high temperature:particle migration and inhibition mechanism

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Journal of Iron and Steel Research(International) 2024年第3期31卷 561-572页

作者： Yao-zu Wang Jian-liang Zhang Qiang Cheng Hui-qing Jiang Zheng-jian Liu Yu-bo Tan school of Intelligent science and technology University of Science and Technology BeijingBeijing 100083China school of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China school of Advanced Engineering University of Science and Technology BeijingBeijing 100083China

Silicon is one of the main gangue components in iron ore,usually in the form of quartz and olivine.Numerous studies have shown that SiO_(2) has a two-sided effect on the consolidation of pellets during high-temperature oxidation roasting of magnetite.However,it is very difficult to capture the structural evolution and migration mechanisms during high-tem-perature roasting process by existing experimental methods.Therefore,the influence of SiO_(2) on the consolidation behavior of magnetite was studied through a series of roasting experiments and molecular dynamic simulation.The results show that the consolidation index and particle growth index decrease with the increase in SiO_(2) content in the particles.At 1573 K,the liquid phase promotes the recrystallization growth of hematite at high temperature.Molecular dynamic study shows that it is difficult for quartz SiO_(2) to form sintering neck with Fe_(2)O_(3).When the calcination temperature is higher than 1400 K,the Fe_(2)O_(3)-Fe_(2)SiO_(4) system produces a considerable sintering neck structure after relaxation.The atomic migration ability of Fe_(2)SiO_(4) is much higher than that of Fe_(2)O_(3).The higher atomic migration ability of Fe_(2)SiO_(4) is the main reason for the formation of the sintering neck.

关键词： Sintering neck Crystal growth Consolidation Molecular dynamics SiO_(2)

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HEN:a novel hybrid explainable neural network based framework for robust network intrusion detection

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science China(Information sciences) 2024年第7期67卷 72-90页

作者： Wei WEI Sijin CHEN Cen CHEN Heshi WANG Jing LIU Zhongyao CHENG Xiaofeng ZOU school of Computer science and Engineering Xi'an University of TechnologyShaanxi Key Laboratory for Network Computing and Security Technology school of Computer science and technology Wuhan University of Science and Technology school of Future technology South China University of Technology Shenzhen Research Institute of Hunan university school of Computer science Hunan University of Technology and Business Institute for Infocomm Research (I2R) Agency for Science Technology and Reseach (A*STAR)

With the rapid development of network technology and the automation process for 5G, cyberattacks have become increasingly complex and threatening. In response to these threats, researchers have developed various network intrusion detection systems(NIDS) to monitor network traffic. However, the incessant emergence of new attack techniques and the lack of system interpretability pose challenges to improving the detection performance of NIDS. To address these issues, this paper proposes a hybrid explainable neural network-based framework that improves both the interpretability of our model and the performance in detecting new attacks through the innovative application of the explainable artificial intelligence(XAI)method. We effectively introduce the Shapley additive explanations(SHAP) method to explain a light gradient boosting machine(Light GBM) model. Additionally, we propose an autoencoder long-term short-term memory(AE-LSTM) network to reconstruct SHAP values previously generated. Furthermore, we define a threshold based on reconstruction errors observed during the training phase. Any network flow that surpasses the specified threshold is classified as an attack flow. This approach enhances the framework's ability to accurately identify attacks. We achieve an accuracy of 92.65%, a recall of 95.26%, a precision of 92.57%,and an F1-score of 93.90% on the dataset NSL-KDD. Experimental results demonstrate that our approach generates detection performance on par with state-of-the-art methods.

关键词： explainable artificial intelligence light gradient boosting machine machine learning network intrusion detection Shapley additive explanation hybrid explainable neural network (HEN)

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