Environmental Science: Water Research & Technology最新文献

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Effects of an anaerobic membrane bioreactor upset event on nitrogen speciation and microbial community in a downstream phototrophic membrane bioreactor† 厌氧膜生物反应器翻转事件对下游光养膜生物反应器氮形态和微生物群落的影响
IF 3.5 4区 环境科学与生态学
Environmental Science: Water Research & Technology Pub Date : 2025-03-07 DOI: 10.1039/D4EW00987H
Daniella Saetta, Jason A. Fischer, Ashley Triana, Talon Bullard, Alexandra Smith, Cory J. Spern, Anirudha Dixit, Christina L. Khodadad, Daniel H. Yeh and Luke B. Roberson
{"title":"Effects of an anaerobic membrane bioreactor upset event on nitrogen speciation and microbial community in a downstream phototrophic membrane bioreactor†","authors":"Daniella Saetta, Jason A. Fischer, Ashley Triana, Talon Bullard, Alexandra Smith, Cory J. Spern, Anirudha Dixit, Christina L. Khodadad, Daniel H. Yeh and Luke B. Roberson","doi":"10.1039/D4EW00987H","DOIUrl":"https://doi.org/10.1039/D4EW00987H","url":null,"abstract":"<p >A wastewater treatment architecture with an anaerobic membrane bioreactor and a phototrophic membrane bioreactor was created to close resource loops for use on the Moon and Mars. During an anomaly, an increase of carbon-to-nitrogen ratio led to a shift in the microbial community within PMBR. It is imperative to understand failure modes of the system and the system's ability to respond to perturbations in treatment because of their proposed application in remote, resource-limited locations. During this transient event, the carbon-to-nitrogen ratio in the AnMBR permeate increased from 0.341 to 11.2. Results showed that the microbial community became more diverse during the event and enriched in species related to the remediation of aromatic compounds. The community shift led to conditions required for greater than 90% carbon removal by the PMBR. The inclusion of the PMBR in the treatment architecture increased resilience and robustness for treating high-strength wastewaters in extreme environments.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 5","pages":" 1200-1214"},"PeriodicalIF":3.5,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143896620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Energy-saving scheduling for multiple water intake pumping stations in water treatment plants based on personalized federated deep reinforcement learning† 基于个性化联合深度强化学习的水厂多取水泵站节能调度
IF 3.5 4区 环境科学与生态学
Environmental Science: Water Research & Technology Pub Date : 2025-03-06 DOI: 10.1039/D4EW00685B
Dongsheng Wang, Ao Li, Yicong Yuan, Tingjun Zhang, Liang Yu and Chaoqun Tan
{"title":"Energy-saving scheduling for multiple water intake pumping stations in water treatment plants based on personalized federated deep reinforcement learning†","authors":"Dongsheng Wang, Ao Li, Yicong Yuan, Tingjun Zhang, Liang Yu and Chaoqun Tan","doi":"10.1039/D4EW00685B","DOIUrl":"https://doi.org/10.1039/D4EW00685B","url":null,"abstract":"<p >Urban water treatment plants are among the largest energy consumers in municipal infrastructure, imposing significant economic burdens on their operators. This study employs a data-driven personalized federated learning-based multi-agent attention deep reinforcement learning (PFL-MAADRL) algorithm to address the intake scheduling problem of three water intake pumping stations in urban water treatment plants. Personalized federated learning (PFL) is combined with long short-term memory (LSTM) modeling to create environment models for water plants, focusing on energy consumption, reservoir levels, and mainline pressure. The average accuracies of PFL-based LSTM (PFL-LSTM) models are 0.012, 0.002, and 0.002 higher than those of the LSTM model in the three water plants. Evaluation metrics were established to quantify the effectiveness of each pumping station's energy-efficient scheduling, considering constraints such as reservoir water levels and mainline pressure. The results indicate that the proposed algorithm performs robustly under uncertainties, achieving a maximum energy consumption reduction of 10.6% compared to other benchmark methods.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 5","pages":" 1260-1270"},"PeriodicalIF":3.5,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ew/d4ew00685b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143896642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Usability of waste plastic pyrolysis liquid/oil as a flotation collector in wastewater treatment 废塑料热解液/油作为浮选捕收剂在废水处理中的应用
IF 3.5 4区 环境科学与生态学
Environmental Science: Water Research & Technology Pub Date : 2025-03-05 DOI: 10.1039/D5EW00027K
Merve Kalem
{"title":"Usability of waste plastic pyrolysis liquid/oil as a flotation collector in wastewater treatment","authors":"Merve Kalem","doi":"10.1039/D5EW00027K","DOIUrl":"https://doi.org/10.1039/D5EW00027K","url":null,"abstract":"<p >Pyrolysis is an important thermal waste disposal method that is more environmentally friendly than the combustion process, and almost all of its products can be converted into economic value. Specifically, the pyrolysis oils obtained are evaluated in different areas, such as the production of next-generation fuels and the recovery of valuable materials. Wastewater released during marble processing should not be discharged into the sewer without treatment, in accordance with national and international legislation, due to the high concentration of colloidal substances it contains. In the treatment of these wastewaters, conventional chemical precipitation processes and high amounts of synthetic chemicals are commonly used. Another method that can be employed for treating these wastewaters is the chemical substance-assisted flotation process, where efficiency depends on the use of oil-based chemicals. In this study, the treatment of marble processing wastewater was carried out for the first time using the flotation process, with pyrolysis oils obtained from mixed plastic waste pyrolysis as the collector material. According to the treatment experiments, the flotation collector that showed the highest suspended solid (SS) and turbidity removal efficiency was the pyrolysis oil obtained at a pyrolysis temperature of 700 °C. The flotation treatment findings were modeled using experimental design, and it was also revealed that collector dosage, mixing speed and air flow rate significantly affected the removal efficiencies.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 5","pages":" 1233-1245"},"PeriodicalIF":3.5,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ew/d5ew00027k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143896596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of peroxymonosulfate pre-oxidation coupled with subsequent Fe-based coagulation on the mitigation of organic matter and the formation of disinfection by-products† 过氧单硫酸盐预氧化与后续铁基混凝对有机物减少和消毒副产物形成的影响
IF 3.5 4区 环境科学与生态学
Environmental Science: Water Research & Technology Pub Date : 2025-02-27 DOI: 10.1039/D4EW01021C
Xuan Li, Keyan Liu, Zhe Ren, Zhenqi Du, Rong Xiao, Ruixue Jiang, Xiaochen Li and Tiantian Chen
{"title":"Effect of peroxymonosulfate pre-oxidation coupled with subsequent Fe-based coagulation on the mitigation of organic matter and the formation of disinfection by-products†","authors":"Xuan Li, Keyan Liu, Zhe Ren, Zhenqi Du, Rong Xiao, Ruixue Jiang, Xiaochen Li and Tiantian Chen","doi":"10.1039/D4EW01021C","DOIUrl":"https://doi.org/10.1039/D4EW01021C","url":null,"abstract":"<p >The generative ability of abundant reactive species ensures peroxymonosulfate (PMS) pre-oxidation coupled with subsequent Fe-based coagulation (PPFeC) a promising drinking water treatment process, whereas these abundant reactive species can also oxidize chloride in water matrices to form reactive chlorine species (RCS). These RCS can further oxidize organic compounds, resulting in the unexpected cytotoxic and genotoxic disinfection by-product (DBP) formation. Thus, this study investigated the effect of PMS pre-oxidation coupled with subsequent Fe-based coagulation on the mitigation of organic matter and DBP. Here, results showed that the PPFeC process presented better dissolved organic carbon (DOC) removal performance than PMS pre-oxidation and Fe-based coagulation. Compared to Fe<small><sup>3+</sup></small>-based coagulation, Fe<small><sup>2+</sup></small>-based coagulation resulted in higher DOC removal performance (increased by 63.5% in natural water), higher DBP concentration and water toxicity (increased by 31.3% for the cytotoxicity index and 18.5% for the genotoxicity index in natural water) during the PPFeC process. DBP concentration and toxicity decreased with the increase of the pre-oxidation time, and increased with the increase of PMS concentration. Furthermore, concentration of DBP and toxicity of water initially increased and then decreased with the increase of sedimentation time and coagulant concentration. In addition, compared to SO<small><sub>4</sub></small>˙<small><sup>−</sup></small> and PMS, HO· played a more significant role in the DBP formation and toxicity during the PPFeC process. Therefore, Fe<small><sup>3+</sup></small>-based coagulants were reliable to ensure drinking water safety as PMS was applied as the pre-oxidant.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 4","pages":" 972-981"},"PeriodicalIF":3.5,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Prospects of layered double hydroxide (LDH)-based adsorbents for the remediation of environmental inorganic pollutants from wastewater: a critical review 层状双氢氧化物(LDH)基吸附剂修复废水中环境无机污染物的研究进展
IF 3.5 4区 环境科学与生态学
Environmental Science: Water Research & Technology Pub Date : 2025-02-26 DOI: 10.1039/D4EW01039F
Deepmoni Brahma, Manash Pratim Barman, Dipanwita Basak and Hemaprobha Saikia
{"title":"Prospects of layered double hydroxide (LDH)-based adsorbents for the remediation of environmental inorganic pollutants from wastewater: a critical review","authors":"Deepmoni Brahma, Manash Pratim Barman, Dipanwita Basak and Hemaprobha Saikia","doi":"10.1039/D4EW01039F","DOIUrl":"https://doi.org/10.1039/D4EW01039F","url":null,"abstract":"<p >Heavy metal pollution is extremely deleterious and has emerged as a major environmental concern, posing a hazardous threat to humans and aquatic organisms. It is increasing at an alarming rate owing to significant contributions from natural and anthropogenic activities, which include mining operations, spraying pesticides, land filling, rock abrasion, volcanic eruptions, and fossil fuel combustion. Heavy metals are potentially toxic even at low concentrations and can induce hepatotoxicity, nephrotoxicity, neurotoxicity, carcinogenicity, genotoxicity, and cardiovascular toxicity. Thus, the removal of heavy metals is critical from an environmental perspective. Recently, various efficient adsorbents have been developed for the treatment of heavy metal contaminants, among which LDHs have received great interest owing to their outstanding features such as structural flexibility, biocompatibility, reusability, simple synthesis, low cost, high adsorption efficiency as well as rheological and swelling properties. This review presents an extensive summary of LDH-based adsorbents reported in the literature in the last ten years for heavy metal remediation. Herein, we systematically explore the recent advancements in aspects such as sources of heavy metals, toxicological effects, functionalization strategies, application of LDH-based hybrids in metal detoxification, influencing factors, and machine learning approaches. Moreover, this review highlights pivotal parameters such as isotherms, kinetics, thermodynamics, adsorption capacity, adsorption mechanisms, and optimised experimental values. Finally, we discuss the future perspectives in this promising field. This work will provide valuable insights to new researchers for further exploring the potential of LDH-based adsorbents in heavy metal remediation.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 4","pages":" 830-875"},"PeriodicalIF":3.5,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716619","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Disparities in potential nitrate exposures within Iowa public water systems† 爱荷华州公共供水系统中潜在硝酸盐暴露的差异
IF 3.5 4区 环境科学与生态学
Environmental Science: Water Research & Technology Pub Date : 2025-02-25 DOI: 10.1039/D4EW00907J
Emmanuel Padmore Mantey, Lu Liu and Chris R. Rehmann
{"title":"Disparities in potential nitrate exposures within Iowa public water systems†","authors":"Emmanuel Padmore Mantey, Lu Liu and Chris R. Rehmann","doi":"10.1039/D4EW00907J","DOIUrl":"https://doi.org/10.1039/D4EW00907J","url":null,"abstract":"<p >Nitrates (measured as nitrate-nitrogen) in drinking water exceeding the maximum contaminant level (MCL) of 10 mg L<small><sup>−1</sup></small> can cause significant health risks, such as methemoglobinemia. Even long-term exposure to concentrations below the MCL can also increase the risks of cancer. Iowa, a major agricultural producer, has grappled with decades-long nitrate pollution in its water systems due to intensive farming practices and animal feeding operations. To help in developing interventions and policies to protect public health, this study delves into long-term nitrate levels in 871 Iowa public water systems (PWSs) between 2012 and 2022 and examines sociodemographic disparities in potential nitrate exposure in drinking water. Average nitrate concentration in Iowa's PWSs increased between 2012 and 2016, reaching an average peak of 3 mg L<small><sup>−1</sup></small> in 2016. 2.5% of 871 PWSs are classified as ‘high-risk’, with nitrate concentrations consistently exceeding 5 mg L<small><sup>−1</sup></small> over the study period, primarily in eastern and western Iowa, where animal feeding operations are concentrated. The absence of nitrate removal processes at these PWSs contributes to the sustained elevated levels. On average, 7.4% of the state's population served by PWSs has been exposed to nitrate levels consistently exceeding 5 mg L<small><sup>−1</sup></small> in the past decade. Disparities exist among various sociodemographic groups, with statistically significant higher exposure rates (10.1%, 9.6%, 9.2%, and 8.7%) observed for people whose incomes are below the federal poverty threshold ($26 496/year), older adults (65 years and above), people of colour, and children (5 years and younger). These disparities are particularly concerning as these populations often lack the resources to address the consequences of water contamination. Our study highlights inequities in Iowa's PWSs concerning potential nitrate exposures and underscores a need for nitrate remediation in specific areas. Addressing these disparities is crucial to safeguarding the health of vulnerable populations and promoting environmental justice in water management.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 4","pages":" 959-971"},"PeriodicalIF":3.5,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ew/d4ew00907j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploring the applications and carbon reduction of multi-technology-coupled membrane biofilm reactors for sustainable wastewater treatment: a review 多技术耦合膜生物膜反应器在废水可持续处理中的应用及减碳研究进展
IF 3.5 4区 环境科学与生态学
Environmental Science: Water Research & Technology Pub Date : 2025-02-21 DOI: 10.1039/D4EW01030B
Chang Mei, Meng Zhang, YuChao Chen, Kun Dong, RuiZe Sun, XueHong Zhang and HaiXiang Li
{"title":"Exploring the applications and carbon reduction of multi-technology-coupled membrane biofilm reactors for sustainable wastewater treatment: a review","authors":"Chang Mei, Meng Zhang, YuChao Chen, Kun Dong, RuiZe Sun, XueHong Zhang and HaiXiang Li","doi":"10.1039/D4EW01030B","DOIUrl":"https://doi.org/10.1039/D4EW01030B","url":null,"abstract":"<p >Membrane biofilm reactors (MBfRs), which efficiently remove pollutants and reduce carbon emissions, hold great promise for wastewater treatment. However, the lack of a cheap local supply of hydrogen, uncontrolled substrate competition, and other issues pose challenges on the long-term stability of these reactors. At the same time, membrane bioreactors have strong bonding capabilities and can be coupled with a variety of processes. Therefore, these reactors are coupled with metal catalysts, electrochemistry, or anaerobic ammonia oxidation (anammox) technology to overcome these challenges. Metal catalysts reduces the replacement cycle and improves the operation stability of MBfRs, while electrochemistry removes pollutants <em>in situ</em> along with providing sufficient hydrogen. When coupled with anammox, the performance of the reactor improves and the energy consumption reduces. In this review, coupling of the hydrogen-based membrane biofilm reactor with the above technologies is discussed in view of their practical applications. Furthermore, their working principles, carbon emission reduction and applications are analyzed. Based on these, practical application and carbon emission reduction of membrane biofilm reactors are discussed along with providing ideas on overcoming their limitations.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 4","pages":" 793-808"},"PeriodicalIF":3.5,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Solar-powered electrocoagulation for the removal of atrazine with and without microplastics† 太阳能电絮凝法去除阿特拉津的实验研究
IF 3.5 4区 环境科学与生态学
Environmental Science: Water Research & Technology Pub Date : 2025-02-20 DOI: 10.1039/D4EW00809J
Bishwatma Biswas, Anju Joshy and Sudha Goel
{"title":"Solar-powered electrocoagulation for the removal of atrazine with and without microplastics†","authors":"Bishwatma Biswas, Anju Joshy and Sudha Goel","doi":"10.1039/D4EW00809J","DOIUrl":"https://doi.org/10.1039/D4EW00809J","url":null,"abstract":"<p >Emerging contaminants, particularly pesticides and microplastics (MPs), pose a substantial risk to both human beings and ecosystems. While atrazine (ATZ) and MPs have been found to coexist in environmental media, limited studies have investigated their combined interaction and removal. Moreover, the application of electrocoagulation (EC) for simultaneously addressing these contaminants remains unexplored. This study was conducted with ATZ concentration (3–20 mg L<small><sup>−1</sup></small>), where the effects of electrode materials, current density, pH, and supporting electrolyte concentration were analysed. In general, the removal kinetics for ATZ were best described by the first-order model for both Al and Cu electrodes. The ATZ removal efficiencies were evaluated in real water matrices and found to be 79.85 ± 1.03, 75.92 ± 1.25, 70.58 ± 1.49, 68.09 ± 1.10, and 64.42 ± 2.25% in distilled deionized water, ground, lake, river, and wastewater, respectively using Cu electrodes. Removal of ATZ was higher (84.52 ± 1.04%) in the presence of microplastics as they served as coagulant aids. The effect of polarity reversal was examined to reduce anode fouling during electrolysis and longer intervals of 10 min yielded higher removal efficiencies than intervals of 5 min or no polarity reversal. This research found that EC is an economical and sustainable solution to pesticide and MP pollution in aquatic ecosystems. This study advances Sustainable Development Goals (SDG) by enhancing clean water access (SDG 6), promoting health through pollutant removal (SDG 3), and using solar power as an energy source to run the reactor is aligned with SDG 7.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 4","pages":" 942-958"},"PeriodicalIF":3.5,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Source apportionment of organotin pollution in different types of drinking water from megacity communities using multiple receptor models: a case study in Shanghai, China† 基于多受体模型的特大城市不同类型饮用水中有机锡污染来源分析:以上海为例
IF 3.5 4区 环境科学与生态学
Environmental Science: Water Research & Technology Pub Date : 2025-02-19 DOI: 10.1039/D4EW00843J
Qinghui Huang, Ying Meng, Yang Lu, Zhiliang Zhu, Yanling Qiu and Åke Bergman
{"title":"Source apportionment of organotin pollution in different types of drinking water from megacity communities using multiple receptor models: a case study in Shanghai, China†","authors":"Qinghui Huang, Ying Meng, Yang Lu, Zhiliang Zhu, Yanling Qiu and Åke Bergman","doi":"10.1039/D4EW00843J","DOIUrl":"https://doi.org/10.1039/D4EW00843J","url":null,"abstract":"<p >Chemical pollution in drinking water is of great concern. Organotin compounds (OTCs) are a class of persistent toxic substances with the effect of disrupting endocrine function, but potential human health risk due to organotin pollution in drinking water is still less understood. Understanding the occurrence and sources of OTCs in drinking water is crucial. Seventy drinking water samples collected from tap water, water boiling machines and water vending machines in Shanghai were analyzed for seven target OTCs. It is shown that the summed concentrations of target OTCs (∑OTCs) were up to 129 ng Sn L<small><sup>−1</sup></small>, with the dominant species being dimethyltin (DMT), dibutyltin (DBT), monobutyltin (MBT) and monomethyltin (MMT). Furthermore, OTC pollution levels varied significantly among drinking water types and water source supply zones, with higher ∑OTC concentrations observed in tap water and zone A (supplied by an onshore reservoir next to the estuary). To quantify the sources of OTCs in drinking water, we employed two receptor models for comprehensive comparison: principal component analysis–multiple linear regression (PCA-MLR) and positive matrix factorization (PMF). Both models demonstrated excellent fit to the ∑OTC concentrations, with predicted ∑OTC values from each model showing a significant correlation (<em>r</em> = 0.9822, <em>p</em> &lt; 0.05). Two main sources of OTCs were identified by using both models: materials used in pipes and drinking fountains and emissions from maritime, agricultural and industrial activities, and the PMF model further distinguished sources associated with degradation. The PMF model emerged as the most appropriate model for organotin source apportionment in drinking water due to its detailed and accurate results. In brief, this study revealed that levels of organotin vary across different water sources and supply zones and identified the main sources of pollution from water sources and water supply processes. This research not only addresses critical knowledge gaps but also provides essential information for informing policy and urban planning, particularly regarding the maintenance of community water purification facilities to ensure drinking water quality in rapidly urbanizing regions.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 6","pages":" 1446-1459"},"PeriodicalIF":3.5,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144171164","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Reactivity of various halogenating agents toward different substrates in electrophilic substitution reactions: a computational study† 在亲电取代反应中,不同卤化剂对不同底物的反应性:计算研究†
IF 3.5 4区 环境科学与生态学
Environmental Science: Water Research & Technology Pub Date : 2025-02-18 DOI: 10.1039/D4EW01044B
Wenjie Huang, Yong Dong Liu and Rugang Zhong
{"title":"Reactivity of various halogenating agents toward different substrates in electrophilic substitution reactions: a computational study†","authors":"Wenjie Huang, Yong Dong Liu and Rugang Zhong","doi":"10.1039/D4EW01044B","DOIUrl":"https://doi.org/10.1039/D4EW01044B","url":null,"abstract":"<p >More and more halogenating agents have been identified in disinfection systems; however, quantifying their reactivity remains challenging. In this study, 18 electrophiles, including 11 halogenating agents (H), 4 halogenated amines (HA), and 3 sulfonylating/acylating (S/A) agents, as well as 12 substrates containing 5 <em>C</em>-reactive compounds (<em>C</em>-), 6 <em>N</em>-reactive amines (<em>N</em>-), and 1 <em>O</em>-reactive alcohol (<em>O</em>-) were chosen to explore their reactivity in electrophilic substitution reactions using the DFT method. The results indicated that the reactivity of electrophiles was highly sensitive to the hardness (energy gap <em>E</em><small><sub>LUMO–HOMO</sub></small> as a descriptor) of the substrate. Among the electrophiles, HA generally exhibited the lowest reactivity, except for NH<small><sub>2</sub></small>Br with some substrates. For the soft <em>C</em>-substrates, the reactivity of H was higher than that of S/A; however, as the hardness of substrates increased, the reactivity of S/A surpassed that of some/all H for hard <em>N</em>- and <em>O</em>-substrates. Interestingly, alcohol, the hardest substrate tested in this study, shared the same reactivity order as phenolate, the softest substrate, in reactions with H, which was X–X′/OX′/OX &gt;/≈ X–X &gt; X–OH and HOI &gt; HOBr &gt; HOCl, but the rate constant <em>k</em><small><sub>est</sub></small> was lower by 7–17 orders of magnitude. However, the order was Cl- &gt; Br- &gt; I-agents for the medium aliphatic amine-<em>N</em> substrates. This explains the experimentally observed differences in halogenated product generation from various electrophiles. The results provide valuable insights into the reactivity of various electrophiles and substrates, providing a theoretical reference for choosing appropriate disinfectants based on the types of substrates present in water.</p>","PeriodicalId":75,"journal":{"name":"Environmental Science: Water Research & Technology","volume":" 4","pages":" 982-993"},"PeriodicalIF":3.5,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
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