Journal of Hazardous Materials最新文献_第6页

Synergistic recovery of mercury and rare earth elements from waste phosphors by microwave alkali fusion - carbothermal reduction followed by acid leaching

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-02-04 DOI: 10.1016/j.jhazmat.2025.137473

Chao Liu, Yongdi Li, Jiahui Zeng, Xueqin Zhou, Zhanxue Sun, Wei Luo, Zhiyuan Ma, Xuegang Wang, Zhongkui Zhou

{"title":"Synergistic recovery of mercury and rare earth elements from waste phosphors by microwave alkali fusion - carbothermal reduction followed by acid leaching","authors":"Chao Liu, Yongdi Li, Jiahui Zeng, Xueqin Zhou, Zhanxue Sun, Wei Luo, Zhiyuan Ma, Xuegang Wang, Zhongkui Zhou","doi":"10.1016/j.jhazmat.2025.137473","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137473","url":null,"abstract":"Waste phosphors (WP) containing mercury from discarded fluorescent lamps is not only a dangerous solid waste but also a secondary resource for recycling of rare earth elements (REEs) and mercury. This study aimed to investigate synergistic recovery of REEs and mercury from WP by microwave alkali fusion - carbothermal reduction followed by acid leaching. Phosphors and mercury compounds were decomposed by NaOH and carbon to rare earth oxides with low-valence and elemental mercury. When WP was roasted with alkali and carbon powder at 900 oC for 30 min, mercury removal efficiency reached 99.9%; the leaching efficiency of REEs reached 93.67% after HCl leaching without reducing agent. The addition of carbon enhanced alkali fusion according to thermodynamic and kinetic analysis. When carbon addition amount was 30% during microwave alkali fusion, the dissociation activation energy of Ce and Tb decreased by 4.33 and 15.8 kJ·mol-1 respectively, the activation energy of mercury removal decreased by 15.05 kJ·mol-1. Mixed rare earth oxides with purity of 91.2% were obtained from the acid leaching solution by oxalic acid precipitation followed by roasting. This work provided a new idea for synergistic recovery of REEs and mercury from real WP by microwave roasting with additives.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"296 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143083586","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Low-Temperature Highly Efficient Catalytic Removal of Odorous Carbonyl Sulfide by Facile Regulating CeO2 Morphologies

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-02-04 DOI: 10.1016/j.jhazmat.2025.137496

Yanan Hu, Chenhao Gong, Peng Chen, Yuanzhe Li, Wenjie Zhu, Jiangping Liu, Yongming Luo

{"title":"Low-Temperature Highly Efficient Catalytic Removal of Odorous Carbonyl Sulfide by Facile Regulating CeO2 Morphologies","authors":"Yanan Hu, Chenhao Gong, Peng Chen, Yuanzhe Li, Wenjie Zhu, Jiangping Liu, Yongming Luo","doi":"10.1016/j.jhazmat.2025.137496","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137496","url":null,"abstract":"Unraveling the water activation is essential in the catalytic hydrolysis of organic sulfur compounds, yet its intrinsic mechanism of the water-promoting effect is still unclear. In this work, we describe novel findings of oxygen vacancy (VO) engineering by facile regulating CeO2 nanocatalysts with different shapes (rod, octahedral, sphere and cube) for COS hydrolysis at lower temperature, aiming at understanding the structural origin of the excellent catalytic hydrolysis activity. Unexpectedly, among CeO2 catalysts with different morphologies, spherical CeO2 (CeO2-S) catalysts can achieve completely conversion of COS at 60 ℃ and maintain 30 hours of non-deactivation, which is a significant improvement in catalytic activity and reaction temperature compared to previously reported catalysts. Through various characterizations and results analysis, it is obvious to see that the more spontaneous formation VO on CeO2-S catalysts synergistically induced the water activation and dissociation thus result in the generation of more surface active hydroxyl groups (-OH), which contributes to the enhanced performance of COS catalytic hydrolysis at lower temperature. The promoting effect of catalyst morphology changes on COS hydrolysis were furthering analyzed using in situ DRIFTS and DFT calculations, and revealed that the exposed (111) crystal plane of CeO2 exhibits the strongest adsorption capacity for COS. Notably, CeO2-S also exhibited good catalytic performance and stability towards to other typical organic sulfur compounds (COS and CS2), which is beneficial for the wide application at complex operating conditions. This study provides new insights for designing OH-rich CeO2 catalysts to remove single as well as multi-component organic sulfur compounds for different applications at lower temperatures.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"50 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143083584","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Accumulation of benzotriazole UV-stabilizers in relation to ingested plastics and associated health metrics in Larus gulls feeding at a landfill in Atlantic Canada

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-02-04 DOI: 10.1016/j.jhazmat.2025.137498

Kerry Schutten, André Morrill, Zhe Lu, Akshaya Chandrashekar, Joshua T. Cunningham, Gregory J. Robertson, Mark L. Mallory, Claire Jardine, Jennifer F. Provencher

{"title":"Accumulation of benzotriazole UV-stabilizers in relation to ingested plastics and associated health metrics in Larus gulls feeding at a landfill in Atlantic Canada","authors":"Kerry Schutten, André Morrill, Zhe Lu, Akshaya Chandrashekar, Joshua T. Cunningham, Gregory J. Robertson, Mark L. Mallory, Claire Jardine, Jennifer F. Provencher","doi":"10.1016/j.jhazmat.2025.137498","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137498","url":null,"abstract":"Benzotriazole UV-Stabilizers (BZT-UVs), compounds added to plastics to reduce ultraviolet degradation, are considered contaminants of emerging concern given their environmental persistence and documented toxicity in humans and animals. UV328 is a BZT-UV that has been recently listed to Annex A of the Stockholm Convention; therefore, understanding species exposure is critical information to fulfill international and domestic regulatory obligations. We evaluated hepatic accumulation of 12 plastic additives (including nine BZT-UVs) in Larus gulls in Atlantic Canada. BZT-UV accumulation was assessed in relation to ingested plastics, hepatic heavy metal accumulation, and body condition. Ninety-six percent of gulls had at least one BZT-UV at detectable hepatic concentrations. The most frequently detected BZT-UVs were UVP (91.4%) and UV328 (76%), suggesting ubiquitous exposure across individuals. We demonstrated interspecific differences in the relationship between ingested plastics and accumulated contaminants, with a positive relationship detected between ingested plastics and both UVP and UV328 in American herring gulls (Larus argentatus smithsonianus), and a positive relationship between hepatic UV328 and Pb concentrations detected in great black-backed gulls (Larus marinus). We provide evidence that Larus gulls feeding at a coastal landfill are highly exposed to BZT-UVs, and that the relationship between ingested plastics and plastic-associated contaminants varies across sympatric species.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"28 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143083643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Surface-Functionalized Polydimethylsiloxane Sponges for Facile and Selective Recovery of Molybdenum from Aqueous/Acidic Solutions

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-02-04 DOI: 10.1016/j.jhazmat.2025.137485

Yiwei Zhang, Naokazu Idota, Takehiko Tsukahara

{"title":"Surface-Functionalized Polydimethylsiloxane Sponges for Facile and Selective Recovery of Molybdenum from Aqueous/Acidic Solutions","authors":"Yiwei Zhang, Naokazu Idota, Takehiko Tsukahara","doi":"10.1016/j.jhazmat.2025.137485","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137485","url":null,"abstract":"The present study fabricated two types of surface-functionalized polydimethylsiloxane sponges (amine-functionalized and extractant-impregnated), and investigated their applicability as a novel separation-recovery method for molybdenum ion (Mo(VI)) in aqueous and HNO3 solutions. An amine-functionalized polydimethylsiloxane (PDMS) sponge was prepared using glycine hydrochloride as a functional ligand, called the Glycine-PDMS sponge, and bis(2-ethylhexyl) phosphate (HDEHP) and 2,2'-(Methylimino)bis(N,N-di-n-octylacetamide) (MIDOA) were used as extractants for the extractant-impregnated sponges, called the HDEHP-PDMS and MIDOA-PDMS sponges, respectively. The adsorption and desorption of Mo(VI) were demonstrated by facile soaking and squeezing of the sponges, which is unavailable in conventional adsorbents. Each PDMS sponge enabled selective Mo adsorption in aqueous and acidic solutions, and had different ligand and HNO3 concentration dependence of the Mo(VI) adsorption capacities. The pseudo-second-order kinetic model was found to be applicable for the Mo(VI) adsorption process on the sponge surfaces. A regression analysis of the isothermal adsorption curves for Mo ions clarified that the adsorption of Mo ions onto all PDMS sponges occurs spontaneously, and that Mo(VI) adsorption mechanism is different depending on sponges; chemisorption for extractant-impregnated sponges and physisorption for an amine-functionalized, respectively. Furthermore, the squeezing of the Mo ion adsorbed PDMS sponges allowed the rapid desorption and recovery of Mo ions into eluent solutions such as deferoxamine B (DFOB) and H2O2 within a few minutes. These results prove that the novel PDMS sponge approach, enabling facile chemical-mechanical adsorption and desorption control of target elements, has great potential in various fields involving the environment, medicine, energy, and so on.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"27 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143083589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dissipation of sarin, soman, and sulfur mustard from various types of crushed concrete

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-02-04 DOI: 10.1016/j.jhazmat.2025.137495

Tomáš Rozsypal, Vladimír Finger, Jaroslav Pejchal, Ludmila Mravcová, Jakub Opravil, Jiří Štoller

{"title":"Dissipation of sarin, soman, and sulfur mustard from various types of crushed concrete","authors":"Tomáš Rozsypal, Vladimír Finger, Jaroslav Pejchal, Ludmila Mravcová, Jakub Opravil, Jiří Štoller","doi":"10.1016/j.jhazmat.2025.137495","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137495","url":null,"abstract":"The behavior of chemical warfare agents (CWAs) on urban materials, such as concrete, significantly impacts forensic and military responses to chemical incidents. This study examined the persistence and degradation mechanisms of sarin (GB), soman (GD), and sulfur mustard (HD) on three types of commonly used concrete with varying water-cement ratios. Over two months, we evaluated the effects of concrete composition, temperature, and fragment size on CWA behavior. Half-lives and activation energies for CWA dissipation were calculated under various conditions. Results showed that concrete properties and external temperature strongly influenced dissipation rates. G-series agents underwent rapid hydrolysis, forming methylphosphonates, while HD degradation involved elimination, nucleophilic substitution, and oxidation, producing several previously unreported byproducts. Smaller concrete fragments increased recovery values and accelerated degradation due to greater surface area exposure, and higher temperatures further enhanced dissipation rates, particularly for volatile agents. Differences in dissipation among concrete types were linked to their physical and chemical properties, notably water-cement ratios. This study highlights the challenges of detecting CWAs due to their rapid penetration and transformation in concrete and provides insights for improving sampling, identification, and decontamination strategies under realistic conditions.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"37 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Application of a fluorescent probe exhibiting a large stokes shift after the precise detection of hydrazine in plants, foods and living cells

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-02-03 DOI: 10.1016/j.jhazmat.2025.137452

Yan Zhang, Yan Huang, Guiyi Yang, Haotian Xin, Keyi Li, Lei Wang, Shangcong Gu, Baosheng Ren, Songfang Zhao, Duxia Cao

{"title":"Application of a fluorescent probe exhibiting a large stokes shift after the precise detection of hydrazine in plants, foods and living cells","authors":"Yan Zhang, Yan Huang, Guiyi Yang, Haotian Xin, Keyi Li, Lei Wang, Shangcong Gu, Baosheng Ren, Songfang Zhao, Duxia Cao","doi":"10.1016/j.jhazmat.2025.137452","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137452","url":null,"abstract":"As a strongly reducing agent and highly reactive alkaline substance, hydrazine is widely used in various industrial productions. Excessive hydrazine may pose a significant risk to the environment and human health. Here, a new fluorescent probe, (E)-6-(2-(3-(dicyanomethylene)-5,5-dimethylcyclohex-1-en-1-yl)vinyl) naphthalen-2-yl-7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate (abbreviated as MNC) for detecting hydrazine in environmental and biological samples was introduced. The probe not only shows a good photostability, a turn-on red fluorescent response with a low detection limit (0.40 μM), but also exhibits a large Stokes shift (215 nm) after reacting with hydrazine. In practical applications, this probe has been effectively used for the detection of hydrazine in environmental, plant, and food samples. It has also been applied to identify the presence of hydrazine in the roots of Arabidopsis thaliana, as well as in zebrafish and living cells. This research introduces a potent and versatile tool for the environmental and biological monitoring of hydrazine.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"15 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143076895","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

3D Janus sponge with controllable pore size for stable separation of oil-water emulsion and dye contaminants

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-02-03 DOI: 10.1016/j.jhazmat.2025.137486

Yiyan Gao, Xiaojuan Yan, Ying Chen, Ying Sui, Ning Wang, Tianyu Wang, Guanghui Gao

{"title":"3D Janus sponge with controllable pore size for stable separation of oil-water emulsion and dye contaminants","authors":"Yiyan Gao, Xiaojuan Yan, Ying Chen, Ying Sui, Ning Wang, Tianyu Wang, Guanghui Gao","doi":"10.1016/j.jhazmat.2025.137486","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137486","url":null,"abstract":"The development of separation materials with high flux, anti-oil fouling, long-term stability, and the ability to remove various pollutants is an urgent requirement in the field of oil-water separation. Herein, we designed a Janus sponge with multiple separation functions. Specifically, we first prepared the PCA-CS gel coating on the polyurethane (PU) sponge through the co-deposition of protocatechuic acid (PCA) and chitosan (CS), and then Janus sponge was obtained through bottom-up approach of adsorbing stearic acid (SA) and an ethanol suspension of titanium dioxide (TiO2). The prepared Janus sponge exhibits excellent wetting behavior and oil adhesion resistance, and can maintain stable performance in acidic, alkaline, saline solutions and ultrasonic environment. The pore size of the Janus sponge can be adjusted by mechanical compression to efficiently separate various types of emulsions, dyes and mixed wastewater. Among them, the emulsion and dye separation efficiency can both be above 99.6%, and can maintain the high flux with 15372.7 L m-2 h-1. More importantly, the prepared Janus sponge can effectively remove the emulsified oil droplets from the wastewater generated by the automotive final assembly shop. Consequently, it can be predicted that Janus sponge exhibits great application potential in emulsion and dye wastewater treatment.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"28 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143076954","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

An integrated evaluation of potentially toxic elements and microplastics in the highland soils of the northeastern Qinghai-Tibetan Plateau

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-02-03 DOI: 10.1016/j.jhazmat.2025.137453

Apurva Kakade, Qunying Zhang, Tao Wu, Xin Yang, Jiandui Mi, Xiaoping Jing, Ruijun Long

{"title":"An integrated evaluation of potentially toxic elements and microplastics in the highland soils of the northeastern Qinghai-Tibetan Plateau","authors":"Apurva Kakade, Qunying Zhang, Tao Wu, Xin Yang, Jiandui Mi, Xiaoping Jing, Ruijun Long","doi":"10.1016/j.jhazmat.2025.137453","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137453","url":null,"abstract":"As gateways to the scenic Qinghai-Tibetan Plateau (QTP), some underexplored five grassland (GLs) and three farmland (FLs) soil locations of northeastern counties were investigated. Preliminary detection showed that in the grazing and agricultural soils, elemental concentrations (Fe>Zn>Cr>Cu>Pb>Co>As>Cd) were up to 37 and 10 mg/g, but within the China soil standards, except Cd, while microplastics (MPs) abundances were 200-3,640 and 280-973 particles/kg, respectively. Polypropylene (PP: 40-55%) dominated in GLs mostly as fragments, whereas polyethylene (PE: 72-92%) in FLs as films. Adsorption results demonstrated that potentially toxic elements (PTEs)-MPs' interaction may chiefly depend on their types and speciation in soils, the physiochemical structure of MPs, and surrounding conditions. The integrated two-dimensional risk assessment categorized three of five GLs under Risk Level VI (high pollution), whereas one of three FLs displayed Risk Level III (moderate pollution). Correlation analysis revealed that altitude, organic matter, soil clay content, and precipitation significantly affected PTEs (p≤0.01), whereas MPs were influenced by altitude, soil clay content, precipitation (p≤0.001), and population density (p≤0.05). Comparison with low-land soils globally designated QTP as a vulnerable region to MPs due to the expanding development. Overall, our study provides a data set to understand the pollution scenario of highlands for its targeted management.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"61 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143083648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fissure channeling caused anomalous uranium concentration in groundwater downstream of a uranium mine tailings impoundment site

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-02-03 DOI: 10.1016/j.jhazmat.2025.137492

Tian Xie, Jun Zhu, Xiaona Liu, Ying Hao, Ruiqing Wang, Pengliang Liang, Zhaoming Wang, Aiming Zhang, Tianwei Qian, Dongye Zhao

{"title":"Fissure channeling caused anomalous uranium concentration in groundwater downstream of a uranium mine tailings impoundment site","authors":"Tian Xie, Jun Zhu, Xiaona Liu, Ying Hao, Ruiqing Wang, Pengliang Liang, Zhaoming Wang, Aiming Zhang, Tianwei Qian, Dongye Zhao","doi":"10.1016/j.jhazmat.2025.137492","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137492","url":null,"abstract":"Widespread uranium mining resulted in large amounts of radioactive wastes. While impoundment has been commonly used to store U-laden wastes, information has been lacking on the secondary contamination potential. We conducted a field-scale study at a prototype uranium mine tailings impoundment site in China to understand the abnormally high concentrations (0.90-36.7 μg/L) of uranium recently observed in the downstream groundwater. Based on on-site hydrogeological measurements and modelling analysis, fracture channels were identified in the aquifer. To consider the fissure channeling flow in the solute transport modeling, a modified discrete-continuum coupled modelling approach was established, which considers the flow dynamics within both the matrix domain and the preferential flow through the main fractures. The model was not only able to simulate the observed uranium concentrations at various locations, but also to reveal the U release rate from the impoundment. Moreover, the contaminant transport modeling supported that the abnormal uranium concentrations were attributed to the channeling flow in the aquifer fractures, which was confirmed through geological analysis. In addition to valuable field data, this work offered an effective modeling approach for assessing contaminant transport through fissure channeling and the associated environmental impact of waste disposal facilities in complex hydrogeological settings.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"123 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143076892","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Predicting Sorption of Diverse Organic Compounds in Soil-Water Systems: Meta-analysis, Machine Learning Modeling, and Global Soil Mapping

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-02-03 DOI: 10.1016/j.jhazmat.2025.137480

Jiachun Sun, Kai Zhang, Huichun Zhang

{"title":"Predicting Sorption of Diverse Organic Compounds in Soil-Water Systems: Meta-analysis, Machine Learning Modeling, and Global Soil Mapping","authors":"Jiachun Sun, Kai Zhang, Huichun Zhang","doi":"10.1016/j.jhazmat.2025.137480","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137480","url":null,"abstract":"In recent decades, the environmental detection of various organic compounds (OCs) has highlighted the limitations of conventional soil-water sorption models, which simplify complex experimental conditions and often overlook OCs with polyfunctional and ionizable structures. To address these shortcomings, we compiled a comprehensive soil-water sorption dataset encompassing 20,945 data points for 419 OCs with various functional groups and 1037 different soils. Meta-analysis of the dataset revealed the trends of soil sorption associated with OC substructures, soil properties, and solution conditions. Machine learning models employing the XGBoost algorithm, in conjunction with MACCS fingerprints and experimental conditions, were developed to cover the entire spectrum of speciation for cationic, neutral, and anionic species. Among these, the individual models tailored to each speciation achieved an overall root-mean-square-error value of 0.32 for log Kd. Model interpretation revealed that the models correctly understood the contributions of various substructures, such as multiple aromatic rings and nitrogen or oxygen atoms, to sorption. The models were also found to accurately capture isotherm nonlinearity and the pH effect on the sorption of ionizable OCs. Finally, utilizing soil properties from the Harmonized World Soil Database, the models predicted the sorption of diverse OCs based on global soil properties under simulated environmental scenarios.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"61 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143076956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0