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Prediction and interpretation of photocatalytic NO removal on g-C_(3)N_(4)-based catalysts using machine learning

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Chinese Chemical Letters 2024年第2期35卷 477-483页

作者： Jing li Xinyan liu Hong wang Yanjuan Sun fan dong School of Resources and Environment University of Electronic Science and Technology of ChinaChengdu 611731China Research Center for Carbon-Neutral Environmental & Energy Technology Institute of Fundamental and Frontier SciencesUniversity of Electronic Science and Technology of ChinaChengdu 611731China

Predictive modeling of photocatalytic NO removal is highly desirable for efficient air pollution ***,great challenges remain in precisely predicting photocatalytic performance and understanding interactions of diverse features in the catalytic ***,a dataset of g-C_(3) N_(4)-based catalysts with 255 data points was collected from peer-reviewed publications and machine learning(ML)model was proposed to predict the NO removal *** result shows that the Gradient Boosting Decision Tree(GBDT)demonstrated the greatest prediction accuracy with R 2 of 0.999 and 0.907 on the training and test data,*** SHAP value and feature importance analysis revealed that the empirical categories for NO removal rate,in the order of importance,were catalyst characteristics>reaction process>preparation ***,the partial dependence plots broke the ML black box to further quantify the marginal contributions of the input features(e.g.,doping ratio,flow rate,and pore volume)to the model output *** ML approach presents a pure data-driven,interpretable framework,which provides new insights into the influence of catalyst characteristics,reaction process,and preparation conditions on NO removal.

关键词： Machine learning g-C_(3)N_(4)-based catalysts NO removal Interpretability Catalytic informatics

Degradation properties of fulvic acid and its microbially driven mechanism from a partial nitritation bioreactor through multi-spectral and bioinformatic analysis

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Journal of Environmental Sciences 2024年第1期135卷 318-331页

作者： Quanhao Dou li Zhang Tingjun dong Zixuan Song Xuepeng fan Yongzhen Peng Xiayan wang Jiachun Yang National Engineering Laboratory for Advanced Municipal Wastewater Treatment and Reuse Technology Key Laboratory of Beijing for Water Quality Science and Water Environment Recovery EngineeringBeijing University of TechnologyBeijing 100124China Department of Chemistry and Biology Center of Excellence for Environmental Safety and Biological EffectsBeijing Key Laboratory for Green Catalysis and SeparationBeijing University of TechnologyBeijing 100124China Environmental Protection Development Group Co. Ltd.Shandong 250101China

This study employed multispectral techniques to evaluate fulvic acid(FA)compositional characteristic and elucidate its biodegradation mechanisms during partial nitritation(PN)*** showed that FA removal efficiency(FRE)decreased from 90.22 to 23.11%when FA concentrations in the reactor were increased from 0 to 162.30 mg/L,and that molecular size,degree of aromatization and humification of the effluent FA macromolecules all increased after *** population analysis indicated that the proliferation of the Comamonas,OLB12 and Thauera exhibit high FA utilization capacity in lower concentrations(lism-related pathways,thereby impeding FA removal and total nitrogen loss associated with N_(2)O emissions.

关键词： Partial nitritation Fulvic acid 3DEEM-PARAFAC UV/Vis Microbially driven mechanism

Z-scheme Bi_(4)O_(5)Br_(2)/NH_(2)-MIL-125(Ti)heterojunctions enable exceptional visible photocatalytic degradation of organic pollutant

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Rare Metals 2024年第7期43卷 3161-3172页

作者： Feng Huang Muhammad Humayun Gang li Ting-Ting fan Wen-lin wang Yu-lin Cao Anton Nikiforov Chun-dong wang Jing wang Key Laboratory of Analytical Science and Technology of Hebei Province Key Laboratory of Medicinal Chemistry and Molecular Diagnosis of the Ministry of EducationState Key Laboratory of New Pharmaceutical Preparations and ExcipientsCollege of Chemistry and Materials ScienceHebei UniversityBaoding071002China Energy Water and Environment LabCollege of Humanities and SciencesPrince Sultan University11586 RiyadhSaudi Arabia Baoding Green Yijia Environmental Protection Technology Ltd Baoding 071051China Physics Laboratory Industrial Training CenterShenzhen Polytechnic UniversityShenzhen 518055China Department of Applied Physics Ghent University9000 GhentBelgium School of Integrated Circuits Wuhan National Laboratory for OptoelectronicsHuazhong University of Science and TechnologyWuhan 430074China

One key strategy to enhance photocatalytic performance is to improve the transfer and separation efficiency of photogenerated carriers by building optimized ***,novel Bi_(4)O_5Br_(2)/NH_(2)-MIL-125(Ti)Z-scheme heterojunctions are fabricated and used as photocatalysts for organic pollutant *** NH_(2)-MIL-125(Ti)nanosheets are exfoliated via a self-developed alkali solution stripping approach and then uniformly decorated on Bi_(4)O_(5)Br_(2).The as-prepared Bi_(4)O_(5)Br_(2)/NH_(2)-MIL-125(Ti)presents more than 90%degradation of various pollutants,outperforming the counterpart individual *** various characterization results suggest that the enhanced degradation rate is due to the more intimate face-to-face interfacial contact of the lamellar Z-scheme heterojunction materials,in which the migration path of carriers from the material's interior to the surface can be reduced,in turn enhancing migration efficiency and separation capability significantly.A possible photocatalytic reaction mechanism is proposed based on the photoelectric behaviors,radical trapping experiments and liquid chromatography mass spectrometry *** work promotes the development of new photocatalytic materials for heterojunctions with face-to-face interfacial contacts,as well as the effective purification of wastewater in environmental remediation.

关键词： Z-scheme heterojunctions Photocatalysis Alkaline solution stripping Bi_(4)O_(5)Br_(2) NH_(2)-MIL-125(Ti)

Rapid Energy Exchange between In Situ Formed Bromine Vacancies and CO_(2)Molecules Enhances CO_(2)Photoreduction

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Research 2024年第2期2023卷 763-771页

作者： Qin Ren Ye He Hong wang Yanjuan Sun fan dong Research Center for Environmental and Energy Catalysis Institute of Fundamental and Frontier SciencesUniversity of Electronic Science and Technology of ChinaChengdu 611731China School of Resources and Environment University of Electronic Science and Technology of ChinaChengdu 611731China

Photocatalytic reduction of CO_(2)into fuels provides a prospective tactic for regulating the global carbon balance utilizing renewable solar ***,CO_(2)molecules are difficult to activate and reduce due to the thermodynamic stability and chemical *** this work,we develop a novel strategy to promote the adsorption and activation of CO_(2)molecules via the rapid energy exchange between the photoinduced Br vacancies and CO_(2)*** in situ continuous wave-electron paramagnetic resonance(cw-EPR)and pulsed EPR technologies,we observe that the spin-spin relaxation time(T_(2))of BiOBr is decreased by 198 ns during the CO_(2)photoreduction reaction,which is further confirmed by the broadened EPR *** result reveals that there is an energy exchange interaction between in situ formed Br vacancies and CO_(2)molecules,which promotes the formation of high-energy CO_(2)molecules to facilitate the subsequent reduction *** addition,theoretical calculations indicate that the bended CO_(2)adsorption configuration on the surface of BiOBr with Br vacancies caused the decrease of the lowest unoccupied molecular orbital of the CO_(2)molecule,which makes it easier for CO_(2)molecules to acquire electrons and get *** situ diffuse reflectance infrared Fourier transform spectroscopy further shows that the activated CO_(2)molecules are favorably converted to key intermediates of COOH*,resulting in a CO generation rate of 9.1μmol g^(-1)h^(-1)and a selectivity of 100%.This study elucidates the underlying mechanism of CO_(2)activation at active sites and deepens the understanding of CO_(2)photoreduction reaction.

关键词： reaction. adsorption activation

Prediction of subsurface settlement induced by shield tunnelling in sandy cobble stratum

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第1期16卷 192-212页

作者： fan wang Xiuli Du Pengfei li Key Laboratory of Urban Security and Disaster Engineering Ministry of EducationBeijing University of TechnologyBeijing100124China

This study focuses on the analytical prediction of subsurface settlement induced by shield tunnelling in sandy cobble stratum considering the volumetric deformation modes of the soil above the tunnel crown.A series of numerical analyses is performed to examine the effects of cover depth ratio(C/D),tunnel volume loss rate(h t)and volumetric block proportion(VBP)on the characteristics of subsurface settle-ment trough and soil volume *** the ground loss variation with depth,three modes are deduced from the volumetric deformation responses of the soil above the tunnel ***,analytical solutions to predict subsurface settlement for each mode are presented using stochastic medium *** influences of C/D,h t and VBP on the key parameters(i.e.B and N)in the analytical expressions are discussed to determine the fitting formulae of B and ***,the proposed analytical solutions are validated by the comparisons with the results of model test and numerical *** show that the fitting formulae provide a convenient and reliable way to evaluate the key ***,the analytical solutions are reasonable and available in predicting the subsurface settlement induced by shield tunnelling in sandy cobble stratum.

关键词： Shield tunnelling Sandy cobble stratum Subsurface settlement Volumetric deformation mode Stochastic medium theory

The historical to future linkage of Arctic amplification on extreme precipitation over the Northern Hemisphere using CMIP5 and CMIP6 models

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Advances in Climate Change Research 2024年第4期15卷 573-583页

作者： Jun liU Xiao-fan wang dong-You WU Xin wang Key Laboratory for Semi-Arid Climate Change of the Ministry of Education College of Atmospheric SciencesLanzhou UniversityLanzhou 730000China

Arctic warming played a dominant role in recent occurrences of extreme events over the Northern Hemisphere,but climate models cannot accurately simulate the *** a significant positive correlation(0.33-0.95)between extreme precipitation and Arctic amplification(AA)is found using observations and CMIP5/6 multi-model ***,CMIP6 models are superior to CMIP5 models in simulating the temporal evolution of extreme precipitation and *** to 14 optimal CMIP6 models,the maximum latitude of planetary waves and the strength of Northern Hemisphere annular mode(NAM)will increase with increasing AA,contributing to increased extreme precipitation over the Northern *** the Shared Socioeconomic Pathway SSP5-8.5,AA is expected to increase by 0.85℃ per decade while the maximum latitude of planetary waves will increase by 2.82°per ***,the amplitude of the NAM will increase by 0.21 hPa per decade,contributing to a rise in extreme precipitation of 1.17% per decade for R95pTOT and 0.86% per decade for R99pTOT by 2100.

关键词： Arctic amplification Extreme precipitation CMIP5 CMIP6 Model evaluation Planetary waves Northern hemisphere annular mode

Control of aluminum distribution in ZSM-5 zeolite for enhancement of its catalytic performance for propane aromatization

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Frontiers of Chemical Science and Engineering 2024年第8期18卷 15-24页

作者： Zhao Ma Dezhi Shi Sen wang Mei dong Weibin fan State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China University of Chinese Academy of Sciences Beijing 100049China

Regulation of aluminum distribution in zeolite framework is an effective method for improving its catalytic performance for propane ***,we found that recrystallization and post-realuminization of ZSM-5 cannot only create hollow structures to enhance the diffusion ability,but also adjust the content and position of paired aluminum species in its *** characterizations results confirmed that increase of paired aluminum content and inducement of more aluminum atoms sited in the intersection cavity are beneficial to the formation of aromatic products in propane *** a result,the hollow-structured ZSM-5 zeolite with more paired aluminum(H-200-hollow)showed higher propane conversion and aromatics selectivity than other samples at the same *** catalytic performance of H-200-hollow can be further improved by ion-exchanging with a small amount of Ga(III)*** propane conversion and aromatics selectivity of Ga-200-hollow reached as high as 95%and 70%,respectively,at 540°C and 1 atm.

关键词： propane aromatization zeolite aluminum distribution recrystallization and post-realuminization

Imitation Learning Based Real-time Decision-making of Microgrid Economic Dispatch Under Multiple Uncertainties

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Journal of Modern Power Systems and Clean Energy 2024年第4期12卷 1183-1193页

作者： Wei dong fan Zhang Meng li Xiaolun fang Qiang Yang School of Automation Hangzhou Dianzi UniversityHangzhou 310018China College of Electrical Engineering Zhejiang UniversityHangzhou 310027China

The intermittency of renewable energy generation,variability of load demand,and stochasticity of market price bring about direct challenges to optimal energy management of *** cope with these different forms of operation un-certainties,an imitation learning based real-time decision-mak-ing solution for microgrid economic dispatch is *** this solution,the optimal dispatch trajectories obtained by solv-ing the optimal problem using historical deterministic operation patterns are demonstrated as the expert samples for imitation *** improve the generalization performance of imita-tion learning and the expressive ability of uncertain variables,a hybrid model combining the unsupervised and supervised learn-ing is *** denoising autoencoder based unsupervised learning model is adopted to enhance the feature extraction of operation ***,the long short-term memory network based supervised learning model is used to efficiently characterize the mapping between the input space composed of the extracted operation patterns and system state variables and the output space composed of the optimal dispatch *** numerical simulation results demonstrate that under vari-ous operation uncertainties,the operation cost achieved by the proposed solution is close to the minimum theoretical *** with the traditional model predictive control method and basic clone imitation learning method,the operation cost of the proposed solution is reduced by 6.3%and 2.8%,respective-ly,overa test period of three months.

关键词： Energy management imitation learning datadriven decision economic dispatch

Pluggable multitask diffractive neural networks based on cascaded metasurfaces

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Opto-Electronic Advances 2024年第2期7卷 23-31页

作者： Cong He Dan Zhao Fei fan Hongqiang Zhou Xin li Yao li Junjie li Fei dong Yin-Xiao Miao Yongtian wang lingling Huang Beijing Engineering Research Center of Mixed Reality and Advanced Display Key Laboratory of Photoelectronic Imaging Technology and System of Ministry of Education of ChinaSchool of Optics and PhotonicsBeijing Institute of TechnologyBeijing 100081China Institute of Modern Optics Tianjin Key Laboratory of Optoelectronic Sensor and Sensing Network TechnologyNankai UniversityTianjin 300350China Department of Physics and Optoelectronics Faculty of ScienceBeijing University of TechnologyBeijing 100124China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100191China Beijing Aerospace Institute for Metrology and Measurement Technology Beijing 100076China

Optical neural networks have significant advantages in terms of power consumption,parallelism,and high computing speed,which has intrigued extensive attention in both academic and engineering *** has been considered as one of the powerful tools in promoting the fields of imaging processing and object ***,the existing optical system architecture cannot be reconstructed to the realization of multi-functional artificial intelligence systems *** push the development of this issue,we propose the pluggable diffractive neural networks(P-DNN),a general paradigm resorting to the cascaded metasurfaces,which can be applied to recognize various tasks by switching internal *** the proof-of-principle,the recognition functions of six types of handwritten digits and six types of fashions are numerical simulated and experimental demonstrated at near-infrared ***,the proposed paradigm not only improves the flexibility of the optical neural networks but paves the new route for achieving high-speed,low-power and versatile artificial intelligence systems.

关键词： optical neural networks diffractive deep neural networks cascaded metasurfaces