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Toward closed-loop remediation: A dynamic optimization approach for hydraulic conductivity estimation and pump-and-treat design 迈向闭环修复:水力导电性评估和泵处理设计的动态优化方法
IF 4.4 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-01 Epub Date: 2026-01-14 DOI: 10.1016/j.jconhyd.2026.104852
JunZe Wei , Simin Jiang , Qi Liu , Xun Zhang , Na Zheng , Jingwen Xing
In the remediation of contaminated sites, the accuracy of the hydraulic conductivity field (K-field) is a critical factor affecting remediation efficiency. Traditional methods, which rely on sparse historical data, short-term pumping tests, and static interpolation methods, often fail to capture heterogeneity of K-fields due to limited monitoring data. This inaccuracy leads to suboptimal remediation designs, resulting in increased costs and reduced efficiency. To address these limitations, this study proposes a dynamic iterative optimization framework that integrates parameter inversion with remediation plan design into a closed-loop system of simulation-observation-update-optimization. The framework iteratively updates the K-field using pilot point parameterization and simulation-optimization techniques, while dynamically adjusting the remediation strategy based on real-time monitoring data. Numerical experiments conducted on a virtual contaminated site demonstrate that the proposed framework significantly improves the accuracy of K-field characterization, as evidenced by decreasing logarithmic root mean square error (LRMSE) and increasing spatial correlation coefficient (SCC) over iterations. Critically, when compared with a conventional static remediation plan that is designed once and executed without updates, the dynamic framework achieves a substantially higher contaminant removal rate while simultaneously reducing the total pumping volume. These results highlight the framework’ s potential to enhance remediation effectiveness and reduce operational costs in heterogeneous aquifers, offering a practical and adaptive solution for complex contaminated site management.
在污染场地的修复中,水导率场(k场)的准确性是影响修复效率的关键因素。传统方法依赖于稀疏的历史数据、短期抽水试验和静态插值方法,由于监测数据有限,往往无法捕获k场的异质性。这种不准确性导致修复设计不理想,从而导致成本增加和效率降低。为了解决这些局限性,本研究提出了一个动态迭代优化框架,该框架将参数反演与修复方案设计集成到模拟-观测-更新-优化的闭环系统中。该框架使用先导点参数化和模拟优化技术迭代更新k场,同时根据实时监测数据动态调整修复策略。在一个虚拟污染场地上进行的数值实验表明,所提出的框架显著提高了k场表征的准确性,并在迭代过程中降低了对数均方根误差(LRMSE)和增加了空间相关系数(SCC)。重要的是,与传统的静态修复计划相比,动态修复计划设计一次,无需更新即可执行,动态修复框架在减少总泵送量的同时实现了更高的污染物去除率。这些结果突出了该框架在提高非均质含水层修复效果和降低运营成本方面的潜力,为复杂的污染场地管理提供了实用和适应性的解决方案。
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引用次数: 0
Nitrate dynamics in the Dongjiang River watershed: Human impacts in the context of an Anthropocene River 东江流域硝酸盐动态:人类世河流背景下的人类影响
IF 4.4 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-01 Epub Date: 2026-01-04 DOI: 10.1016/j.jconhyd.2026.104843
Yaotong Gao , Bingjun Liu , Qian Tan , Kai He , Wei Ouyang , Yaling Yu
Rivers in the Anthropocene are increasingly impacted by human activities, with nitrate (NO3) pollution posing a significant threat to water quality and ecosystem health. This study investigates the Dongjiang River watershed as a representative example of such systems impacted by human activities. Using nitrate dual isotopes (δ15N-NO3 and δ18O-NO3) and a Bayesian mixing model (MixSIAR), we identified the sources and transformation processes of NO3 in the downstream Dongjiang River. Our results indicate that manure and sewage (MS) account for the majority of NO3 inputs (64.52 %), followed by soil nitrogen (SN) at 18.88 %. The influence of MS is amplified in catchments with higher urbanization, while forested areas show more significant contributions from SN. Seasonal variations in nitrate sources were also observed, with MS dominating during the dry season and SN contributions increasing during the wet season. Nitrification and denitrification were relatively weak during our sampling periods, as indicated by the absence of a characteristic δ15N-NO3 versus δ18O-NO3 slope (∼50 %) and by low extent of denitrification values at most sites; thus, external inputs were likely the primary drivers of NO3 dynamics. Furthermore, we link socio-economic factors and water consumption patterns to specific NO3 sources, highlighting the role of urbanization, economic development, and agricultural practices in shaping nitrate pollution. These findings provide critical insights for managing water quality and mitigating anthropogenic impacts on the Dongjiang River in the Anthropocene.
人类世的河流受到人类活动的影响越来越大,硝酸盐(NO3−)污染对水质和生态系统健康构成了重大威胁。本文以东江流域为研究对象,研究了受人类活动影响的生态系统。利用硝酸盐双同位素(δ15N-NO3−和δ18O-NO3−)和贝叶斯混合模型(MixSIAR),确定了东江下游NO3−的来源和转化过程。结果表明,粪肥和污水(MS)占NO3−输入的大部分(64.52%),其次是土壤氮(SN),占18.88%。城市化程度越高的流域,MS的影响越大,而森林地区SN的贡献越显著。硝态氮源在旱季以MS为主,而在雨季硝态氮的贡献增加。在我们的采样期间,硝化和反硝化作用相对较弱,这表明缺乏δ15N-NO3−与δ18O-NO3−的特征斜率(~ 50%),并且大多数地点的反硝化值程度较低;因此,外部输入可能是NO3−动力学的主要驱动因素。此外,我们将社会经济因素和水消费模式与特定的NO3−来源联系起来,强调了城市化、经济发展和农业实践在形成硝酸盐污染中的作用。这些发现为人类世的水质管理和减轻对东江的人为影响提供了重要的见解。
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引用次数: 0
Unified analytical framework for multi-dimensional solute transport in fractured porous media 裂隙多孔介质中多维溶质输运的统一分析框架
IF 4.4 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-01 Epub Date: 2025-12-10 DOI: 10.1016/j.jconhyd.2025.104793
V.G. Rumynin , L.N. Sindalovskiy
In this paper, we summarize solutions derived previously for solute transport through fractured porous media in a simplified layered setting, extending them to account for the diversity of the fracture–matrix mass transfer models, multi-dimensionality of the hydrodynamic dispersion in the fracture domain, the geometry of contamination sources (conceptualized as point, linear, plane, or parallelepiped) containing sorbed and decaying chemicals with typical inlet boundary conditions. Thus, a new analytical solution for the concentration field was derived. This solution unifies many existing approaches and models and enables the prediction of dual-porosity media behavior under new configurations of initial–boundary conditions and mass-transfer conceptualizations in the fracture–matrix system, considering the solute transport problem in an extended physical setting. The analysis was based on the dual-continuum approach for groundwater flow and solute transport in fractured geological media with a periodic matrix block arrangement, employing a method that decouples the complex solute transport by expressing the general solution of the ADEs in a convolution integral form. We verified the suggested approach and new analytical solutions against the previously published mass transport solutions related to homogeneous and dual-porosity systems.
在本文中,我们总结了先前在简化的分层设置中推导出的溶质通过裂缝多孔介质的解决方案,并将其扩展到考虑裂缝基质传质模型的多样性、裂缝域中流体动力弥散的多维性、含有吸附和衰变化学物质的污染源(概念为点、线、面或平行六面体)的几何形状和典型的入口边界条件。由此导出了一种新的浓度场解析解。该解决方案统一了许多现有的方法和模型,能够在初始边界条件和裂缝基质系统传质概念的新配置下预测双重孔隙介质的行为,同时考虑到扩展物理环境中的溶质输运问题。本文基于双连续体方法分析了具有周期性基质块体排列的裂缝性地质介质中地下水流动和溶质运移,采用了一种将ADEs通解解为卷积积分形式的方法来解耦复杂溶质运移。我们验证了建议的方法和新的分析解与先前发表的有关均匀和双重孔隙系统的质量输运解。
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引用次数: 0
Experimental and numerical investigation of colloid-facilitated strontium transport in fractured granite under different hydrogeochemical conditions 不同水文地球化学条件下胶态锶在裂隙花岗岩中运移的实验与数值研究。
IF 4.4 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-01 Epub Date: 2026-01-16 DOI: 10.1016/j.jconhyd.2026.104858
Funing Ma , Fangfei Cai , Lihong Zhang , Sida Jia
Accurate prediction of radionuclide transport in fractured crystalline rock is vital for the long-term safety of high-level radioactive waste (HLW) geological disposal. However, the specific threshold conditions determining whether bentonite colloids (BC) facilitate or inhibit radionuclide transport in realistic fracture geometries remain quantitatively undefined. This study systematically investigates the transport of strontium (Sr) in fractured granite with and without BC, employing both column experiments and numerical simulations. The effects of varying hydrogeochemical conditions, including flow velocity (1.8–7.2 mL/h), pH (6.5–8.5), and ionic strength (0.001–0.1 M), were quantitatively evaluated. The results revealed that in the absence of colloids, Sr migration was primarily governed by non-equilibrium sorption interactions with the rock matrix. Lower flow velocities enhanced the solute residence time and interaction with the rock surface, promoting retention, while acidic conditions increased Sr mobility by reducing surface complexation. Crucially, the study reveals a complex dual role of BC dictated by hydrogeochemical thresholds. Under high flow velocity and low ionic strength, BC acted as effective carriers, facilitating Sr migration. In contrast, a distinct transition to transport inhibition was observed under low flow velocities or high ionic strength. Under these conditions, the stability of BC was compromised, leading to aggregation and straining within the fracture. This induced a site-shielding effect, where deposited colloids physically blocked sorption sites on the rock matrix, effectively retarding Sr transport. These findings challenge the generalized assumption of unconditional colloid-facilitated transport, underscoring the importance of incorporating specific hydrogeochemical thresholds in the safety assessment of HLW geological disposal systems.
准确预测裂隙结晶岩中放射性核素输运对高放废物地质处置的长期安全至关重要。然而,确定膨润土胶体(BC)在实际裂缝几何形状中是促进还是抑制放射性核素输运的具体阈值条件仍未定量确定。本文采用柱状实验和数值模拟两种方法,系统地研究了锶(Sr)在含BC和不含BC的破碎花岗岩中的运移。定量评价了流速(1.8 ~ 7.2 mL/h)、pH(6.5 ~ 8.5)、离子强度(0.001 ~ 0.1 M)等水文地球化学条件的影响。结果表明,在没有胶体的情况下,锶的迁移主要受与岩石基质的非平衡吸附作用的控制。较低的流速增加了溶质停留时间和与岩石表面的相互作用,促进了保留,而酸性条件通过减少表面络合作用增加了锶的迁移率。至关重要的是,该研究揭示了由水文地球化学阈值决定的BC的复杂双重作用。在高流速和低离子强度条件下,BC作为有效的载体,有利于Sr的迁移。相比之下,在低流速或高离子强度下观察到明显的转运抑制转变。在这些条件下,BC的稳定性受到损害,导致骨折内聚集和应变。这导致了一种位点屏蔽效应,即沉积的胶体物理阻塞了岩石基质上的吸附位点,有效地延缓了锶的迁移。这些发现挑战了无条件胶体促进运输的一般假设,强调了在高浓缩铀地质处置系统的安全评估中纳入特定水文地球化学阈值的重要性。
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引用次数: 0
An efficient strategy of Bayesian optimized attention-enhanced LSTM surrogate model and its application in groundwater pump-and-treat remediation: A case study of a chromium-contaminated site in southern China 贝叶斯优化关注增强LSTM代理模型的有效策略及其在地下水抽处理修复中的应用——以中国南方某铬污染场地为例
IF 4.4 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-01 Epub Date: 2025-12-03 DOI: 10.1016/j.jconhyd.2025.104790
Yanhong Zou , Fuqiang Yang , Hao Deng , Xiancheng Mao , Yong He
The simulation-optimization of pump-and-treat (PAT) systems for groundwater remediation often encounters significant computational demands due to the reliance on high-fidelity numerical models. Surrogate modeling has emerged as an effective strategy to mitigate this burden. However, a common limitation in existing studies is the oversimplification of temporal pumping dynamics through the assumption of uniform pumping durations, potentially leading to suboptimal and excessive pumping. To address this, we propose a novel surrogate modeling approach based on a Bayesian Optimization-enhanced Long Short-Term Memory network with an Attention mechanism (BO-LSTM-Attention). This methodology is applied to systematically optimize the PAT remediation strategy for a hexavalent chromium (Cr(VI)) contaminated site in southern China, treating the pumping rate, start time, and end time of each well as independent decision variables. By integrating attention-based temporal feature weighting and Bayesian hyperparameter optimization, the BO-LSTM-Attention surrogate model significantly enhances the predictive accuracy of Cr(VI) concentration on the test set, achieving a RMSE below 0.08, a MAE below 0.065, and a R2 exceeding 0.99. Subsequently, the trained surrogate model was embedded into the multi-objective optimization framework to improve the existing uniform pumping scheme (680 m3/d) by simultaneously minimizing total pumping volume and maximizing restoration efficiency. The resulting optimized strategy yielded a 10 % reduction in the area exhibiting Cr(VI) concentrations above 80 mg/L and an average daily pumping reduction of 182.37 m3 over a one-year operational period, alongside a 96 % improvement in simulation-optimization computational efficiency. A two-year projection of the optimized strategy indicates the potential to reduce the maximum Cr(VI) concentration below 50 mg/L, with a substantial 62.5 % reduction in total extraction volume. These findings demonstrate that the BO-LSTM-Attention surrogate model concurrently enhances predictive accuracy and optimization efficiency, enabling coordinated control of high-concentration contaminant plumes and precise regulation of pumping operations. This approach offers an efficient and practical solution for groundwater remediation under complex hydrogeological conditions.
由于对高保真数值模型的依赖,地下水修复系统的模拟优化往往需要大量的计算量。代理建模已经成为减轻这种负担的有效策略。然而,现有研究的一个共同局限性是,通过假设均匀的泵送持续时间,过度简化了时间泵送动力学,可能导致次优和过度泵送。为了解决这一问题,我们提出了一种基于贝叶斯优化增强长短期记忆网络和注意机制(BO-LSTM-Attention)的代理建模方法。将该方法应用于中国南方某六价铬(Cr(VI))污染场地的PAT修复策略的系统优化,将每口井的泵送速率、开始时间和结束时间作为独立的决策变量。通过将基于注意力的时间特征加权与贝叶斯超参数优化相结合,BO-LSTM-Attention代理模型显著提高了测试集上Cr(VI)浓度的预测精度,RMSE低于0.08,MAE低于0.065,R2超过0.99。随后,将训练好的代理模型嵌入到多目标优化框架中,通过同时最小化总抽水量和最大化恢复效率来改进现有的均匀抽水方案(680 m3/d)。通过优化后的策略,Cr(VI)浓度高于80 mg/L的区域减少了10%,在一年的运行期间,平均每天减少182.37 m3的抽水量,同时模拟优化计算效率提高了96%。对该优化策略的两年预测表明,有可能将最大Cr(VI)浓度降低到50 mg/L以下,总萃取量大幅减少62.5%。这些发现表明,BO-LSTM-Attention代理模型同时提高了预测精度和优化效率,能够协调控制高浓度污染物羽流和精确调节泵操作。该方法为复杂水文地质条件下的地下水修复提供了高效实用的解决方案。
{"title":"An efficient strategy of Bayesian optimized attention-enhanced LSTM surrogate model and its application in groundwater pump-and-treat remediation: A case study of a chromium-contaminated site in southern China","authors":"Yanhong Zou ,&nbsp;Fuqiang Yang ,&nbsp;Hao Deng ,&nbsp;Xiancheng Mao ,&nbsp;Yong He","doi":"10.1016/j.jconhyd.2025.104790","DOIUrl":"10.1016/j.jconhyd.2025.104790","url":null,"abstract":"<div><div>The simulation-optimization of pump-and-treat (PAT) systems for groundwater remediation often encounters significant computational demands due to the reliance on high-fidelity numerical models. Surrogate modeling has emerged as an effective strategy to mitigate this burden. However, a common limitation in existing studies is the oversimplification of temporal pumping dynamics through the assumption of uniform pumping durations, potentially leading to suboptimal and excessive pumping. To address this, we propose a novel surrogate modeling approach based on a Bayesian Optimization-enhanced Long Short-Term Memory network with an Attention mechanism (BO-LSTM-Attention). This methodology is applied to systematically optimize the PAT remediation strategy for a hexavalent chromium (Cr(VI)) contaminated site in southern China, treating the pumping rate, start time, and end time of each well as independent decision variables. By integrating attention-based temporal feature weighting and Bayesian hyperparameter optimization, the BO-LSTM-Attention surrogate model significantly enhances the predictive accuracy of Cr(VI) concentration on the test set, achieving a RMSE below 0.08, a MAE below 0.065, and a R<sup>2</sup> exceeding 0.99. Subsequently, the trained surrogate model was embedded into the multi-objective optimization framework to improve the existing uniform pumping scheme (680 m<sup>3</sup>/d) by simultaneously minimizing total pumping volume and maximizing restoration efficiency. The resulting optimized strategy yielded a 10 % reduction in the area exhibiting Cr(VI) concentrations above 80 mg/L and an average daily pumping reduction of 182.37 m<sup>3</sup> over a one-year operational period, alongside a 96 % improvement in simulation-optimization computational efficiency. A two-year projection of the optimized strategy indicates the potential to reduce the maximum Cr(VI) concentration below 50 mg/L, with a substantial 62.5 % reduction in total extraction volume. These findings demonstrate that the BO-LSTM-Attention surrogate model concurrently enhances predictive accuracy and optimization efficiency, enabling coordinated control of high-concentration contaminant plumes and precise regulation of pumping operations. This approach offers an efficient and practical solution for groundwater remediation under complex hydrogeological conditions.</div></div>","PeriodicalId":15530,"journal":{"name":"Journal of contaminant hydrology","volume":"277 ","pages":"Article 104790"},"PeriodicalIF":4.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145735290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Competitive ligand control of Cu bioavailability: Decoupling anion (Cl−/SO42−/PO43−) versus fulvic acid regulation in speciation-phytotoxicity coupling 铜生物利用度的竞争配体控制:解耦阴离子(Cl−/SO42−/PO43−)与黄腐酸在物种-植物毒性耦合中的调节
IF 4.4 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-01 Epub Date: 2025-12-08 DOI: 10.1016/j.jconhyd.2025.104806
Xiaoqing Zhang , Yujia Jiao , Jiaxue Si , Dajun Ren , Shuqin Zhang
The interactions between anions and dissolved organic matter play a crucial role in determining copper (Cu) bioavailability in soil environment. This study examined the impact of chloride (Cl), sulfate (SO42−), phosphate (PO43−), and fulvic acid (FA) on soluble Cu speciation distribution, and phytotoxicity in barley root elongation. FA had a superior Cu2+-complexing ability, reducing the free Cu2+ content to 0.042 %–2.36 % through organic complexation (FA-Cu), which accounted for >97.4 % of the total Cu. In contrast, anion treatments without FA primarily maintained soluble Cu as free ions with limited formation of inorganic complexes, with FA having the most significant effect, followed by PO43−, SO42−, and Cl. The coexistence of FA and anions led to the emergence of competitive ligand interactions, with particularly pronounced variations in Cu speciation and complexation patterns observed. At low Cu, FA-Cu was the dominant soluble species, with free Cu2+ ≤ 31.50 %. Elevated Cu levels shifted speciation toward free Cu2+ and FA-Cu, except in systems with high PO43−-FA concentrations where PO43− precipitates dominated. Furthermore, the single FA and co-coexistence of FA and anions of FA all increased the toxicity threshold (50 % inhibition, EC50) within a range of 2.8–12.4 folds, generally in the order of FA + Cl < FA + SO42− < FA + PO43−, FA. It indicated that the protective effect of FA against Cu phytotoxicity was gradually weakened with the increasing addition of Cl and SO42−. This study provides important insights into the role of both organic and inorganic ligands in assessing Cu speciation and phytotoxicity in Cu-contaminated agroecosystems.
阴离子与溶解有机质的相互作用对土壤环境中铜(Cu)的生物有效性起着至关重要的作用。本研究考察了氯离子(Cl−)、硫酸盐(SO42−)、磷酸盐(PO43−)和黄腐酸(FA)对大麦根伸长中可溶性铜形态分布和植物毒性的影响。FA具有优异的Cu2+络合能力,通过有机络合(FA-Cu)使游离Cu2+含量降低至0.042% - 2.36%,占总Cu的97.4%。相比之下,不含FA的阴离子处理主要维持可溶性Cu作为自由离子,限制了无机配合物的形成,其中FA的作用最显著,其次是PO43−、SO42−和Cl−。FA和阴离子的共存导致了竞争配体相互作用的出现,在Cu的形态和络合模式中观察到特别明显的变化。在低Cu条件下,FA-Cu是主要的可溶态,游离Cu2+≤31.50%。除了PO43−-FA浓度高的体系中PO43−沉淀为主外,Cu水平升高使物种形成转向游离Cu2+和FA-Cu。此外,单FA及FA与FA阴离子共存均可使毒性阈值(50%抑制,EC50)在2.8 ~ 12.4倍范围内升高,其顺序一般为FA + Cl−<; FA + SO42−< FA + PO43−,FA。结果表明,随着Cl -和SO42 -添加量的增加,FA对Cu毒性的保护作用逐渐减弱。该研究为有机和无机配体在评估铜污染农业生态系统中铜的形态和植物毒性方面的作用提供了重要的见解。
{"title":"Competitive ligand control of Cu bioavailability: Decoupling anion (Cl−/SO42−/PO43−) versus fulvic acid regulation in speciation-phytotoxicity coupling","authors":"Xiaoqing Zhang ,&nbsp;Yujia Jiao ,&nbsp;Jiaxue Si ,&nbsp;Dajun Ren ,&nbsp;Shuqin Zhang","doi":"10.1016/j.jconhyd.2025.104806","DOIUrl":"10.1016/j.jconhyd.2025.104806","url":null,"abstract":"<div><div>The interactions between anions and dissolved organic matter play a crucial role in determining copper (Cu) bioavailability in soil environment. This study examined the impact of chloride (Cl<sup>−</sup>), sulfate (SO<sub>4</sub><sup>2−</sup>), phosphate (PO<sub>4</sub><sup>3−</sup>), and fulvic acid (FA) on soluble Cu speciation distribution, and phytotoxicity in barley root elongation. FA had a superior Cu<sup>2+</sup>-complexing ability, reducing the free Cu<sup>2+</sup> content to 0.042 %–2.36 % through organic complexation (FA-Cu), which accounted for &gt;97.4 % of the total Cu. In contrast, anion treatments without FA primarily maintained soluble Cu as free ions with limited formation of inorganic complexes, with FA having the most significant effect, followed by PO<sub>4</sub><sup>3−</sup>, SO<sub>4</sub><sup>2−</sup>, and Cl<sup>−</sup>. The coexistence of FA and anions led to the emergence of competitive ligand interactions, with particularly pronounced variations in Cu speciation and complexation patterns observed. At low Cu, FA-Cu was the dominant soluble species, with free Cu<sup>2+</sup> ≤ 31.50 %. Elevated Cu levels shifted speciation toward free Cu<sup>2+</sup> and FA-Cu, except in systems with high PO<sub>4</sub><sup>3−</sup>-FA concentrations where PO<sub>4</sub><sup>3−</sup> precipitates dominated. Furthermore, the single FA and co-coexistence of FA and anions of FA all increased the toxicity threshold (50 % inhibition, EC50) within a range of 2.8–12.4 folds, generally in the order of FA + Cl<sup>−</sup> &lt; FA + SO<sub>4</sub><sup>2−</sup> &lt; FA + PO<sub>4</sub><sup>3−</sup>, FA. It indicated that the protective effect of FA against Cu phytotoxicity was gradually weakened with the increasing addition of Cl<sup>−</sup> and SO<sub>4</sub><sup>2−</sup>. This study provides important insights into the role of both organic and inorganic ligands in assessing Cu speciation and phytotoxicity in Cu-contaminated agroecosystems.</div></div>","PeriodicalId":15530,"journal":{"name":"Journal of contaminant hydrology","volume":"277 ","pages":"Article 104806"},"PeriodicalIF":4.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145735360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Distinguishing natural from mining-related metal sources by including streambank groundwater data in a stream mass loading study 通过在河流质量负荷研究中包括河岸地下水数据来区分自然与采矿相关的金属来源
IF 4.4 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-01 Epub Date: 2026-01-05 DOI: 10.1016/j.jconhyd.2026.104841
Andrew H. Manning , Robert L. Runkel , Jean M. Morrison , Sara Warix , Richard B. Wanty , Katherine Walton-Day , Michael Snook
Distinguishing stream metal loading caused by mine features from that caused by natural background sources remains challenging, yet this distinction is essential for making effective remedial decisions at many legacy mine sites. We combine a stream tracer injection and synoptic sampling study with data from shallow near-stream groundwater wells to estimate left-bank versus right-bank metal loading contributions at the 100-m spatial scale. The study was performed in the East Mancos River, a mountain headwater stream in Colorado, USA. The dominant source of elevated stream metal concentrations could be either groundwater infiltration through right-bank Doyle Mine waste piles or natural acid rock drainage from hydrothermally altered bedrock located mainly on the left bank. For the five metals of concern (Cu, Al, Zn, Cd, and Mn), we find that 15 % of the load contributed by diffuse groundwater inputs in the section potentially influenced by Doyle mine waste originates from the right bank. This right-bank potential mine contribution equates to only 3 % of the total watershed instream load for these metals. Furthermore, apparent 3H/3He groundwater ages in segments contributing most of the right-bank metal loading are sufficiently old (9–12 yr) to suggest that infiltration through the waste piles, located only 140–180 m from the stream, is unlikely. Estimated potential Doyle mine loading contributions can therefore be considered maximum values. Study results thus indicate that Doyle mine waste piles are a minor source of metal loading under low-flow conditions, and streambank groundwater data can provide valuable additional information in stream mass loading studies.
区分由矿山特征引起的金属流载荷与自然背景源引起的金属流载荷仍然具有挑战性,但这种区分对于在许多遗留矿区做出有效的补救决策至关重要。我们将河流示踪剂注入和天气抽样研究与浅层近溪流地下水井的数据相结合,以估计100米空间尺度上左岸与右岸金属载荷的贡献。该研究是在美国科罗拉多州的山源河流东曼科斯河进行的。河流金属浓度升高的主要来源可能是通过右岸Doyle矿山废渣堆渗透的地下水或主要位于左岸的热液蚀变基岩的天然酸性岩石排水。对于关注的五种金属(Cu、Al、Zn、Cd和Mn),我们发现在可能受Doyle矿山废弃物影响的断面中,漫射地下水输入所贡献的负荷中有15%来自右岸。这一右岸潜在的矿山贡献仅相当于这些金属的流域河流总负荷的3%。此外,在贡献大部分右岸金属负荷的部分,明显的3H/3He地下水年龄足够老(9-12年),表明通过距离溪流仅140-180米的废物堆渗透的可能性不大。因此,估计的潜在多伊尔矿负荷贡献可视为最大值。研究结果表明,Doyle矿山废渣桩是低流量条件下金属载荷的次要来源,河岸地下水数据可以为河流质量载荷研究提供有价值的附加信息。
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引用次数: 0
Adsorption of some hazardous aromatic hydrocarbons by various pristine and heat-activated aged microplastics as potential pollutant carriers in aquatic environment 各种原生和热活化老化微塑料作为潜在污染物载体对水生环境中有害芳烃的吸附研究
IF 4.4 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-01 Epub Date: 2025-12-15 DOI: 10.1016/j.jconhyd.2025.104817
Delaram-Sadat Tavoussi-Shirazi , Kamand-Sadat Abdolhosseini , Amir Hossein Hamidian , Habib Bagheri
Microplastics (MPs) are ubiquitous in terrestrial and aquatic ecosystems and persistent micropollutants of concern. Their persistence poses risks to ecosystems, human health, and organisms, while they can facilitate the migration and transformation of persistent organic pollutants by acting as vectors for their transportation into the environment and living organisms. This study examined the adsorption/desorption behavior of three nonpolar polycyclic aromatic hydrocarbons (pyrene, anthracene, and fluorene) on pristine and aged MPs, i.e., polystyrene (PS), polyvinyl chloride (PVC), and polymethyl methacrylate (PMMA) through a series of batch adsorption experiments conducted under different pH values, contact times, and salinities. Results indicate that PS adsorbs higher amounts of PAHs than other MPs due to its rough surface, pores, and aromatic configuration strong π–π interactions. The PAHs adsorption followed a pseudo-second-order model, and fit best with the Freundlich isotherm due to multilayer adsorption. Aging with K₂S₂O₈ for 5 days enhanced adsorption on PMMA through surface roughening, reduced sorption on PVC due to oxidation, while PS exhibited minimal impact. The study examined PAHs desorption from MPs in fasted state simulated gastric fluid (FaSSGF), deionized water, and river water. (FaSSGF) showed the highest desorption rates, with pepsin enhancing desorption through micelle formation and weakening π-π interactions,. These findings highlight how organic pollutants are transported by both pristine and aged microplastics, and demonstrate the risk of desorption of these contaminants in aqueous and gastric environments, which may impact on ecosystems and human health.
微塑料(MPs)在陆地和水生生态系统中普遍存在,是令人关注的持久性微污染物。它们的持续存在对生态系统、人类健康和生物体构成风险,同时它们可以作为持久性有机污染物进入环境和生物体的载体,促进其迁移和转化。本研究通过一系列的间歇吸附实验,考察了三种非极性多环芳烃(芘、蒽和芴)在不同pH值、不同接触时间和不同盐度下对原始和老化MPs(聚苯乙烯(PS)、聚氯乙烯(PVC)和聚甲基丙烯酸甲酯(PMMA))的吸附/解吸行为。结果表明,由于PS表面粗糙、孔隙大、芳香族结构强的π -π相互作用,其吸附多环芳烃的量高于其他MPs。多环芳烃的吸附服从伪二阶模型,多层吸附最符合Freundlich等温线。用K₂S₂O₈时效5天,通过表面粗化增强了对PMMA的吸附,由于氧化减少了对PVC的吸附,而PS的影响最小。该研究检测了禁食状态模拟胃液(FaSSGF)、去离子水和河水中MPs对PAHs的解吸。(FaSSGF)的解吸率最高,胃蛋白酶通过胶束形成和减弱π-π相互作用增强解吸。这些发现强调了有机污染物是如何通过原始和老化的微塑料运输的,并证明了这些污染物在水环境和胃环境中解吸的风险,这可能会影响生态系统和人类健康。
{"title":"Adsorption of some hazardous aromatic hydrocarbons by various pristine and heat-activated aged microplastics as potential pollutant carriers in aquatic environment","authors":"Delaram-Sadat Tavoussi-Shirazi ,&nbsp;Kamand-Sadat Abdolhosseini ,&nbsp;Amir Hossein Hamidian ,&nbsp;Habib Bagheri","doi":"10.1016/j.jconhyd.2025.104817","DOIUrl":"10.1016/j.jconhyd.2025.104817","url":null,"abstract":"<div><div>Microplastics (MPs) are ubiquitous in terrestrial and aquatic ecosystems and persistent micropollutants of concern. Their persistence poses risks to ecosystems, human health, and organisms, while they can facilitate the migration and transformation of persistent organic pollutants by acting as vectors for their transportation into the environment and living organisms. This study examined the adsorption/desorption behavior of three nonpolar polycyclic aromatic hydrocarbons (pyrene, anthracene, and fluorene) on pristine and aged MPs, <em>i.e.</em>, polystyrene (PS), polyvinyl chloride (PVC), and polymethyl methacrylate (PMMA) through a series of batch adsorption experiments conducted under different pH values, contact times, and salinities. Results indicate that PS adsorbs higher amounts of PAHs than other MPs due to its rough surface, pores, and aromatic configuration strong π–π interactions. The PAHs adsorption followed a pseudo-second-order model, and fit best with the Freundlich isotherm due to multilayer adsorption. Aging with K₂S₂O₈ for 5 days enhanced adsorption on PMMA through surface roughening, reduced sorption on PVC due to oxidation, while PS exhibited minimal impact. The study examined PAHs desorption from MPs in fasted state simulated gastric fluid (FaSSGF), deionized water, and river water. (FaSSGF) showed the highest desorption rates, with pepsin enhancing desorption through micelle formation and weakening π-π interactions,. These findings highlight how organic pollutants are transported by both pristine and aged microplastics, and demonstrate the risk of desorption of these contaminants in aqueous and gastric environments, which may impact on ecosystems and human health.</div></div>","PeriodicalId":15530,"journal":{"name":"Journal of contaminant hydrology","volume":"277 ","pages":"Article 104817"},"PeriodicalIF":4.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145788228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Characteristics of tetracycline adsorption by different embedded biochar materials 不同生物炭包埋材料对四环素的吸附特性
IF 4.4 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-01 Epub Date: 2025-12-29 DOI: 10.1016/j.jconhyd.2025.104833
Chunming Wang, Anqi Zhao , Meng Qi, Yi Jiang
This study explored six novel biochar composite materials for adsorbing tetracycline antibiotics adsorption. These materials—namely, Bauhinia biochar, Bauhinia magnetic biochar, rice straw biochar, rice straw magnetic biochar, rice straw hydrothermal biochar, and rice straw hydrothermal magnetic biochar, were encapsulated with sodium alginate to form adsorption spheres. Results showed that magnetic biochar materials had higher adsorption capacities than non-magnetic ones, with rice straw magnetic biochar adsorption spheres showing the highest capacity at 3 mg/g. The isothermal adsorption of tetracycline by rice straw magnetic biochar adsorption spheres followed the Freundlich model, while the adsorption kinetics were best described by the pseudo-second-order model. The adsorption half-life was 3 h, and factors including biochar dosage, temperature, pH, and salinity affected the removal rate. SEM and FTIR analyses of rice straw hydrothermal magnetic biochar, rice straw magnetic biochar, and rice straw biochar revealed that rice straw biochar materials had a microporous structure mainly composed of C and O, while magnetic materials also contained significant amounts of iron. All three materials contained hydroxyl, alkene, alkyne, and alkyl functional groups. The increased FeO bonds in magnetic materials were the primary reason for the enhanced adsorption performance. Moreover, rice straw magnetic biochar adsorption spheres showed good reusability for high-concentration tetracycline. For low-concentration tetracycline, the adsorption capacity recovery exceeded 60 %, achieving an overall removal rate of over 80 %. Owing to their excellent recyclability and rapid adsorption rates, the rice straw magnetic biochar adsorption spheres hold significant potential in advanced wastewater treatment containing tetracycline antibiotics.
本研究探索了六种新型吸附四环素类抗生素的生物炭复合材料。将紫荆花生物炭、紫荆花磁性生物炭、稻秆生物炭、稻秆磁性生物炭、稻秆水热生物炭、稻秆水热磁性生物炭等材料包被海藻酸钠形成吸附球。结果表明,磁性生物炭材料的吸附能力高于非磁性材料,其中稻草磁性生物炭吸附球在3 mg/g时的吸附能力最高。稻秆磁性生物炭吸附球对四环素的等温吸附符合Freundlich模型,而吸附动力学最适合用拟二阶模型描述。吸附半衰期为3 h,生物炭投加量、温度、pH、盐度等因素影响去除率。对秸秆水热磁性生物炭、秸秆磁性生物炭和秸秆生物炭的SEM和FTIR分析表明,秸秆生物炭材料具有以C和O为主的微孔结构,磁性材料中还含有大量的铁。这三种材料都含有羟基、烯烃、炔和烷基官能团。磁性材料中FeO键的增加是吸附性能增强的主要原因。此外,秸秆磁性生物炭吸附球对高浓度四环素具有良好的可重复使用性。对于低浓度四环素,吸附容量回收率超过60%,总体去除率达到80%以上。稻秆磁性生物炭吸附球具有良好的可回收性和快速的吸附速率,在含四环素类抗生素废水的深度处理中具有很大的潜力。
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引用次数: 0
A multiple surrogate simulation-optimization framework for designing pump-and-treat systems 一种用于泵处理系统设计的多代理仿真优化框架。
IF 4.4 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-02-01 Epub Date: 2026-02-04 DOI: 10.1016/j.jconhyd.2026.104876
Chaoqi Wang , Zhi Dou , Ning Chen , Yan Zhu , Zhihan Zou , Jian Song , Shen-Huan Lyu
Pump-and-treat (P&T) remediation is a widely adopted and effective method for groundwater contamination control. It is important to optimize the operation schemes (pumping well locations and pumping rates) to maximize contaminant removal efficiency and minimize operational costs. Recently, surrogate models have been integrated with optimization algorithms to formulate the remediation schemes. However, with various surrogate techniques available, their comparative performance in P&T remediation tasks and potential for combined usage of multiple surrogates require further exploration. In this study, five popular surrogate models—Kriging, Polynomial Interpolation, Support Vector Regression (SVR), Random Forest (RF), and Deep Neural Network (DNN)—were evaluated for their ability to predict contaminant removal efficiency under diverse schemes in a multi-contaminant site. The analysis revealed that, while DNN achieved the highest overall prediction accuracy in the validation stage across the 200 cases, no single surrogate model consistently outperformed the others in all individual cases. A multi-surrogate optimization framework, coupling all five models with a genetic algorithm, was developed to enhance P&T schemes. The usage of multiple surrogates finally brings benefits because the complementary strengths of diverse surrogate models are combined. We identified remediation schemes that achieved superior contaminant removal (17.5% residual contaminant) compared to the other results (19.2–21.7%). The framework offers a robust tool for environmental management and insights for advancing studies related to surrogate-based optimization.
抽水处理(P&T)修复是一种被广泛采用的有效的地下水污染控制方法。优化作业方案(泵井位置和泵速)以最大限度地提高污染物去除效率并降低作业成本是非常重要的。近年来,人们将代理模型与优化算法相结合来制定修复方案。然而,随着各种替代技术的可用,它们在P&T修复任务中的比较性能以及多种替代技术联合使用的潜力需要进一步探索。在这项研究中,评估了五种流行的替代模型——克里格、多项式插值、支持向量回归(SVR)、随机森林(RF)和深度神经网络(DNN)——在不同方案下预测多污染物场地中污染物去除效率的能力。分析显示,虽然DNN在200个案例的验证阶段达到了最高的整体预测精度,但在所有个体案例中,没有一个替代模型始终优于其他模型。开发了一个多代理优化框架,将所有五种模型与遗传算法耦合在一起,以增强P&T方案。由于多种代理模型的互补优势被结合在一起,因此使用多个代理最终会带来好处。与其他结果(19.2-21.7%)相比,我们确定的修复方案实现了更好的污染物去除(17.5%残留污染物)。该框架为环境管理提供了一个强大的工具,并为推进与基于代理的优化相关的研究提供了见解。
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引用次数: 0
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Journal of contaminant hydrology
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