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Machine learning approach to predict adsorption capacity of Fe-modified biochar for selenium

Carbon Research 2023年第1期2卷 1-15页

作者： Ullah, Habib Khan, Sangar Chen, Baoliang Shahab, Asfandyar Riaz, Luqman Lun, Lu Wu, Naicheng Innovation Center of Yangtze River Delta Zhejiang University Zhejiang311400 China Department of Environmental Science Zhejiang University Zhejiang Hangzhou310058 China Department of Geography and Spatial Information Techniques Ningbo University Ningbo315211 China College of Environmental Science and Engineering Guilin University of Technology Guilin China Department of Environmental Science University of Narowal Narowal Pakistan State Environmental Protection Key Laboratory of Environmental Pollution Health Risk Assessment South China Institute of Environmental Sciences Ministry of Ecology and Environment Guangzhou510655 China

The accurate prediction of environmental Se (selenium) adsorption levels is critical for sustainable development and management perception. The concept of sorting massive quantities of data to find important information using machine learning (ML) has recently been applied to environmental remediation, particularly the science-based design of a 'green' carbonaceous and an effective functional material (e.g., biochar and Fe modified biochar) with high Selenium (Se) removal capacity. The present study focuses on presenting ML models that utilize the random-forest (RF) support vector regression (SVR) and SHAP (SHapley Additive exPlanations) models to forecast the adsorption of Se by modified biochar. The RF, SVR and SHAP models, which were constructed using basic surface properties of Fe-modified biochar and environmental conditions showed accuracy and predictive performance for Se (removal capacity in the test group with R 2 of 0.98, 0.98 and 0.95 and RMSE of 0.35, 0.14 and 0.23 mg-kg−1, respectively). The SVR model was highly effective for predicting Se adsorption, indicating potentially higher accuracy than the RF and SHAP models. This may be due to the small size of our data. According to the feature analysis and partial dependence plot analysis of all three models, the most significant component regulating Se adsorption was oxygen (%) followed by carbon (%), temperature, pH and Fe in all three models. The relative importance of variables may offer guidance for researchers to develop improved Se treatment of actual water and wastewater. Moreover, the ML models developed in this study took into account the surface functionalities of biochar and Fe-modified biochar to provide a more accurate prediction of Se removal, and offer a comprehensive guideline for the long-term development of biochar adsorbents for Se removal. Graphical Abstract: [Figure not available: see fulltext.]. © 2023, Institute of Eco-environmental and Soil Sciences, Guangdong Academy of Sciences.

关键词： Wastewater treatment

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Recovery and Purification of Silicon from Diamond Wire Saw Silicon Powder by Spray Granulation-Enhanced Vacuum Directional Solidification technology

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SSRN 2024年

作者： Meng, Fuqiang Wu, Jijun Xi, Fengshuo Ma, Wenhui Chen, Xiuhua Wei, Kuixian Li, Shaoyuan Chen, Zhengjie Ke, Yong Faculty of Metallurgical and Energy Engineering Kunming University of Science and Technology Kunming650093 China National Engineering Research Center of Vacuum Metallurgy State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization Kunming University of Science and Technology Kunming650093 China School of Metallurgy and Environment Central South University Changsha410083 China School of Engineering School of Materials Science and Engineering Yunnan University Kunming650500 China The National Engineering Laboratory for Vacuum Metallurgy

environmentally hazardous diamond wire saw silicon powder (DWSSP) generated during the production of silicon solar cells possesses a considerable reuse value. However, the presence of silicon oxide layer (SiOx) and impurities poses a significant barrier to Si-cores recovery and utilization. In this study, we propose a novel method that combines acid leaching and spray drying granulation to effectively inhibit the secondary oxidation of silicon powder. Additionally, vacuum directional solidification is integrated to achieve efficient melting of silicon material and thorough removal of metal impurities. The study investigates the dissolution process of the oxide layer during acid leaching and examines how silicon particle morphology and solidification rate impact both silicon melting rate and metal impurity segregation based on heat transfer and solidification kinetics respectively. The results demonstrate that the dissolution of amorphous silicon dioxide shell significantly enhances impurity removal from DWSSP, thereby increasing the melting efficiency of uniformly granulated silicon microspheres up to 99.89%. Furthermore, an increase in solidification rate improves impurity segregation efficiency;at a solidification rate of 3 μm/s, total metal impurity content in silicon is reduced from 641 ppmw to 5.75 ppmw. This study showcases the feasibility of utilizing spray granulation combined with vacuum directional solidification technology for achieving low-energy, high-purity recovery of DWSSP. © 2024, The Authors. All rights reserved.

关键词： Granulation

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Ultraviolet Dechlorination of Pentachlorophenol In the Presence of Sulfide In Aqueous Solution: By Direct Photolysis Or Nucleophilic Substitution

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SSRN 2023年

作者： Gu, Jia Zhang, Wei Song, Yang Song, Haoran Ma, Jun School of Environmental and Biological Engineering Nanjing University of Science and Technology Jiangsu Nanjing210094 China School of Environmental and Material Engineering Yantai University Shandong Yantai264005 China School of Civil and Transportation Engineering Guangdong University of Technology Guangdong Guangzhou510006 China Dongguan University of Technology China State Key Laboratory of Urban Water Resource and Environment School of Environment Harbin Institute of Technology Heilongjiang Harbin150090 China

In this work, the ultraviolet (UV) photolysis of pentachlorophenol in the presence of sulfide in aqueous solution for the dechlorination has been investigated by density functional theory calculations. The theoretical results indicate that the ground and first triplet states of pentachlorophenolate (PCP) could be dechlorinated by the homolysis of C-Cl bonds upon the UV irradiation. The UV photolysis of PCP could eject the hydrated electron (eaq-) and phenoxyl radical (PR) in in aqueous solution. The absorption of eaq- by PCP was helpful for the dechlorination. The isolated PR could be dechlorinated by the nucleophilic reactions of OH− and sulfide (HS−, S2−) with PR. Moreover, the transformation of tetrachloro-p-benzoquinone (TCBQ, the major quinoid metabolite from PCP) and its monohydroxylated product (HO-TriCBQ) upon the UV irradiation has been explored. The nucleophilic attack on the first triplet states of TCBQ (3TCBQ*) and HO-TriCBQ (3HO-TriCBQ*) was also available for the dechlorination. Meanwhile, with the electron transfer, PR, 3TCBQ* and 3HO-TriCBQ* could be reduced to PCP and the semiquinone radicals (TCSQ, HO-TriCSQ) by HS− and S2−, followed by the nucleophilic substitution. According to the findings in this work, the nucleophilicity of additives may be dominant for the dechlorination of PCP. © 2023, The Authors. All rights reserved.

关键词： Dechlorination

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Spatio-temporal Characteristics of Atmospheric Pollution and Cause Analysis of Haze Events in Sichuan Basin,China

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Chinese Geographical Science 2021年第3期31卷 539-557页

作者： WANG Xingjie GUO Ke LIANG Yuan ZHANG Tingbin WANG Guxi College of Geophysics Chengdu University of TechnologyChengdu 610059China College of Engineering and Technology Chengdu University of TechnologyLeshan 614007China Geomathematics Key Laboratory of Sichuan Province Chengdu University of TechnologyChengdu 610059China College of Management Science Chengdu University of TechnologyChengdu 610059China College of Earth Sciences Chengdu University of TechnologyChengdu 610059China College of Architecture and Environment Sichuan UniversityChengdu 610000China National Institute of Measurement and Testing Technology Chengdu 610000China

This study analyzed the spatio-temporal variability of air quality data for six standard air pollutants(Particulate Matter 2.5(PM2.5),Particulate Matter 10(PM10),SO2,NO2,CO,and O3)in the Sichuan Basin(SCB),China from 2015 to 2018 in relation to the formation of haze using conventional meteorological data(temperature,wind speed,and relative humidity),satellite data(fire point data,vertical profiles of aerosol subtypes,and aerosol optical depth),planetary boundary layer height,and backward *** results indicated that the spatio-temporal evolution of the air quality index(AQI)had notable seasonality for the pollution severity in descending order:winter,spring,summer,and *** and winter severe haze events occurred in November and January,respectively,and were caused by higher local pollution emissions under stagnant air *** severe haze events occurred in May and were caused by dust from Northwest China and local *** summer haze events occurred in July and were caused by local ***,the analyses showed that local burning,stagnant meteorological conditions,air mass transport and anthropogenic pollution emissions played a key role in haze in the *** study provides scientific insights for fully analyzing heavy air pollution in SCB,China,and also provides a scientific basis for pollution research in regions of complex terrain as basins and mountains.

关键词： Atmospheric pollution formation of haze aerosol subtypes backward trajectories Sichuan Basin

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New Insights into the Role of Chloride Ion in the Degradation of Antibiotics by Peroxymonosulfate In-Situ Oxidation

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SSRN 2024年

作者： Wei, Yulei Bao, Jie Lu, Zhiqi He, Xianglong Cui, Shuangshuang Li, Hongjing Song, Weihua Ma, Jun Department of Environmental Science & Engineering Fudan University Shanghai200433 China Suzhou New District Water Purification Suzhou215000 China State Key Laboratory of Urban Water Resource and Environment Harbin Institute of Technology Harbin150090 China

The antibiotics and chloride ion (Cl−) coexist in the effluent of wastewater treatment plant. The role of Cl− at relevant levels in wastewater in the degradation of representative antibiotics by PMS in-situ oxidation was studied. The kinetic model and experiments indicated that HClO and Cl2•− were major reactive chlorine species in Cl−/PMS system. The reaction rate constants of Cl− with PMS were ranged from 0.52 × 10-3 to 2.33 × 10-3 M-1 s-1 (10 ~ 30 oC), and showed sensitivity to pH value (4.0 ~ 10.0). Sulfadiazine (SDZ) and oxytetracycline (OTC) with different structure were selected as representative antibiotics, and Cl− could accelerate SDZ and OTC degradation significantly. HClO played a leading role in the degradation of SDZ and OTC by Cl−/PMS system, with the contribution of 62.01% and 22.93%. Whereas 1O2 dominated SDZ and OTC degradation by Cl−/PMS system in the presence of effluent organic matter (EfOM), contributing respectively 32.97% and 32.79%. Chlorinated by-products concentrations generated during representative antibiotics degradation by PMS oxidation were 0.99 ~ 16.97 μg/L in the coexistence of Cl− and EfOM. This work provides new insights into the role of chloride ion in antibiotics abatement by PMS in-situ oxidation during advanced treatment of actual wastewater. © 2024, The Authors. All rights reserved.

关键词： Antibiotics

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Long-Lived Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence for Optoelectronic Devices

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SSRN 2025年

作者： Wang, Ping Wang, Hanyu Long, Chunye Guan, Yan Wang, Yang Wu, Chengheng Wang, Pu Wang, Fuzhi Xie, He-Lou Key Lab of Environment-friendly Chemistry and Application in Ministry of Education Key Laboratory of Polymeric Materials and Application Technology of Hunan Province Key Laboratory of Advanced Functional Polymer Materials of Colleges Universities of Hunan Province College of Chemistry Xiangtan University Hunan Province Xiangtan411105 China Beijing National Laboratory for Molecular Sciences Key Laboratory of Polymer Chemistry and Physics of Ministry of Education Center for Soft Matter Science and Engineering College of Chemistry and Molecular Engineering Peking University Beijing100871 China State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources School of New Energy North China Electric Power University Beijing102206 China

Organic thermally activated delayed fluorescence (TADF) and room temperature phosphorescence (RTP) materials have merited enormous application prospects in organic optoelectronics. In spite of this, long-lived TADF and RTP dual emissions based on single polymers still face great challenge. In this work, we develop a monomer (CzBT) with twisted electron donating carbazole and electron withdrawing benzothiadiazole (D-A) structure and then copolymerize it with N-isopropylacrylamide (NIPAM) to achieve TADF and RTP dual-emission polymers (NP1-50~NP1-1000). They not only exhibit high efficiency (20%) and long-lived (268 ms) TADF emission, but also present red RTP emission with lifetime reaching 240 ms. Theoretical calculations confirm that the introduction of twisted D-A structure and heteroatoms can not only provide appropriate ΔEST (0.21 eV) between the singlet and triplet states to promote long-lived TADF, but also enhance spin orbital coupling for RTP emission. High performance active optical waveguide with quite low optical loss coefficient of 0.097 dB/mm was obtained for NP1-50 fiber. When applied to solution-processable organic light emitting diodes (OLED) devices, it yields excellent current efficiency of 62.7 cd/A with small efficiency roll-off and maximum luminance of 90858 cd/m2. This class of polymers pave the road for high efficiency optoelectronic devices. © 2025, The Authors. All rights reserved.

关键词： Fluorescence

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Decryption for Nitrogen Removal in Anammox-Based Coupled Systems: Nitrite-Induced Mechanisms

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SSRN 2023年

作者： Liang, Yitong Li, Zemin Zhang, Bin Zhang, Yushen Ji, Sijia Qiu, Guanglei Wu, Haizhen Wei, Chaohai School of Environment and Energy South China University of Technology Guangzhou510006 China School of Environment and Energy Guangdong Provincial Key Laboratory of Solid Wastes Pollution Control and Recycling South China University of Technology Guangzhou510006 China School of Biology and Biological Engineering South China University of Technology Guangzhou510006 China

This study investigated the effects of nitrite between Anammox bacteria (AnAOB) and sulfur-oxidizing bacteria (SOB) in an autotrophic denitrification-Anammox system. The presence of NO₂¯ (0–75 mg-N/L) was shown to significantly enhance NH₄+ and NO₃¯ conversion rates, achieving intensified synergy between AnAOB and SOB. However, once NO₂¯ exceed a threshold concentration (100 mg-N/L), both NH₄+ and NO₃¯ conversion rates decreased with increased NO₂¯ consumption via autotrophic denitrification. The cooperation between AnAOB and SOB was decoupled due to the NO₂¯ inhibition. Improved system reliability and nitrogen removal performance was achieved in a long-term reactor operation with NO₂¯ in the influent;reverse transcription-quantitative polymerase chain reaction analysis showed elevated hydrazine synthase gene transcription levels (5.00-fold), comparing to these in the reactor without NO₂¯. This study elucidated the mechanism of nitrite-induced synergetic interactions between AnAOB and SOB, providing theoretical guidance for engineering applications of Anammox-based coupled systems. © 2023, The Authors. All rights reserved.

关键词： Nitrogen removal

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Grassland Science in a New Era

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Fundamental Research 2023年第2期3卷 149-150页

作者： Guiling Zhao Lingli Liu Zeng-Yu Wang Zhenong Jin Jin-Sheng He Division of Environment and Ecology Department of Life SciencesNational Natural Science Foundation of ChinaBeijing 100085China State Key Laboratory of Vegetation and Environmental Change Institute of BotanyChinese Academy of SciencesBeijing 100093China College of Grassland Science Qingdao Agricultural UniversityQingdao 266109China Department of Bioproducts and Biosystems Engineering University of MinnesotaMN 55455United States State Key Laboratory of Herbage Improvement and Grassland Agro-Ecosystems and College of Pastoral Agriculture Science and TechnologyLanzhou UniversityLanzhou 730000China Institute of Ecology College of Urban and Environmental SciencesPeking UniversityBeijing 100871China

Grasslands are one of the major biomes on Earth,covering approximately 25%of the terrestrial *** history is deeply intertwined with grassland biomes,where we,as a natural species,first walked upright 2 million years ***,grassland ecosystems continue to play an important role in people's livelihoods by producing meat and dairy products,providing habitats for biodiversity,and delivering essential ecosystem services such as climate regulation and cultural heritage.

关键词： grassland planet habitat

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Surface Plasmon Resonance of AU Nanoparticles Enhanced the Visible Light-Driven Debromination of Tetrabromodiphenyl Ethers by Znin2s4

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SSRN 2023年

作者： Wang, Yuanyuan Du, Lang Hu, Xuemin Zhang, Wenyan Hao, Lingyun Ding, Kaining Guan, Hangmin Hu, Yingfei College of Materials Engineering Jinling Institute of Technology Nanjing211169 China College of Chemistry Research Institute of Photocatalysis State Key Laboratory of Photocatalysis on Energy and Environment Fuzhou University Fujian350108 China

2,2′,4,4′-tetrabromodiphenyl ether (BDE 47) is a kind of persistent organic pollutant and has high toxicity. Because of the high structural stability, this kind of pollutants are difficult to be decomposed. Herein, Au nanoparticles decorated ZnIn2S4 flower-like microspheres were successfully constructed and applied in the rapid removal of BDE 47 driven by visible light irradiation. The results reveal that the amount of Au loaded was 3% of the mass of ZnIn2S4, Au/ZnIn2S4 has the highest removal rate for BDE 47 (0.90118 h-1). The study on the reaction path and mechanism shows that BDE 47 preferentially lost the bromine adjacent to the oxygen atom via electron transfer based on band gap excitation of ZnIn2S4, surface plasmon resonance effect of Au nanoparticles, and Schottky junctions between them. Furthermore, density functional theory calculations also show that there is a kind of affinity between Au0 and the bromine atom adjacent to the oxygen atom on BDE 47, which can lengthen the carbon-bromine bond length and further weaken the carbon-bromine bond after the accumulation of electrons, which may be the main driver for the rapid debromination of BDE 47. This study provides a new perspective for photocatalytic removal of moderately brominated polybrominated diphenyl ethers. © 2023, The Authors. All rights reserved.

关键词： Ethers

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Synthesis of a "Turn-On" Magnesium Ion Fluorescent Probe and its Application in Cell Imaging and Paper Strips

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SSRN 2023年

作者： Wang, Huizhen Li, Xingdong Xie, Zhengfeng Chang, Guanjun State Key Laboratory of Environment-friendly Energy Materials National Engineering Technology Center for Insulation Materials School of Materials and Chemistry Southwest University of Science and Technology Mianyang621010 China School of Science Asymmetric Synthesis and Chiral technology Key Laboratory of Sichuan Province Xihua University Chengdu610039 China School of Chemistry and Chemical Engineering Southwest Petroleum University Chengdu610500 China

A compound (E)-3-hydroxy-N’-(2-hydroxy-4,6-dimethoxybenzylidene)-2-naphthohydrazide (DMN) with a Schiff base structure was synthesized from 3-hydroxy-2-naphthylazine and 4,6-dimethoxysalicylaldehyde. The DMN probe can quickly and selectively recognize Mg2+ in a solvent system (H2O/DMSO=1:9). Afterward, we used fluorescence spectroscopy and UV‒vis spectroscopy to study the spectral properties of the DMN probe. The results showed that the combination of DMN and Mg2+ produced a significant fluorescence "turn-on" effect, which was almost unaffected by other metal ions. Afterward, we used Job's plot, 1HNMR, mass spectrometry, and DFT calculations to study the binding mechanism between the DMN probe and Mg2+. By plotting a linear equation between different Mg2+ concentrations and fluorescence intensity, the limit of detection (LOD) was calculated to be 2.2009×10-8 mol/L. The spiked recovery experiment shows that DMN can be used for qualitative detection of Mg2+ in natural water samples. In addition, the DMN probe can be made into fluorescent test paper. All of these results indicate that DMN has good application prospects in environmental monitoring, cell imaging and paper strips. © 2023, The Authors. All rights reserved.

关键词： Probes

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