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Neural network-informed Optimal Water Flow problem: Modeling, algorithm, and benchmarking 神经网络信息的最优水流问题:建模、算法和基准
IF 8.2 2区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2026-01-01 DOI: 10.1016/j.wroa.2025.100479
A. Belmondo Bianchi, H.H.M. Rijnaarts, S. Shariat Torbaghan
Water distribution networks comprise interconnected components such as pipes, tanks, and pumps, whose hydraulic behavior is inherently nonlinear and nonconvex. Modeling head loss in pipes and pump performance curves is a major challenge for optimization-based planning and operations. These challenges arise, for instance, when solving the Optimal Water Flow (OWF) problem, which aims to determine pump schedules that minimize energy costs while satisfying hydraulic and operational constraints. While various approximation techniques exist, they often lack sufficient accuracy, raising concerns about their reliability in practice. To address this, we propose a hybrid approach that integrates deep learning with mathematical optimization to solve the OWF problem. We design a modified Input Convex Neural Network (ICNN) capable of capturing complex nonlinear relationships, focusing on pipe friction losses and pump hydraulics. To ensure tractable optimization, we introduce a novel regularization that enforces input convexity, enabling neural network inference to be reformulated as a linear program. This convex approximation is embedded into the OWF formulation, enabling end-to-end optimization with standard solvers. Empirical results demonstrate significant improvements in accuracy and scalability over existing OWF approximations, offering a practical tool for cost-effective, energy-efficient water distribution management.
配水网络由管道、水箱和泵等相互连接的部件组成,其水力特性本质上是非线性和非凸的。管道和泵性能曲线的水头损失建模是基于优化规划和操作的主要挑战。例如,在解决最优水流量(OWF)问题时,这些挑战就会出现,该问题旨在确定泵的时间表,以最大限度地降低能源成本,同时满足水力和操作限制。虽然存在各种近似技术,但它们往往缺乏足够的准确性,这引起了人们对其在实践中的可靠性的担忧。为了解决这个问题,我们提出了一种将深度学习与数学优化相结合的混合方法来解决OWF问题。我们设计了一个改进的输入凸神经网络(ICNN),能够捕捉复杂的非线性关系,重点关注管道摩擦损失和泵液压。为了确保可处理的优化,我们引入了一种新的正则化,强制输入凸性,使神经网络推理能够被重新表述为线性程序。这个凸近似嵌入到OWF公式中,支持使用标准求解器进行端到端优化。实证结果表明,与现有的OWF近似相比,该方法的准确性和可扩展性有了显著提高,为具有成本效益、节能的配水管理提供了实用工具。
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引用次数: 0
Habitat partitioning shapes divergent bacterial community assembly and carbon–nitrogen functional responses under cascade-dam fragmentation and seasonality 在梯级坝破碎化和季节性条件下,生境分区形成了不同的细菌群落组合和碳氮功能响应
IF 8.2 2区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2026-01-01 DOI: 10.1016/j.wroa.2026.100495
Rongchao He, Shasha Chen, Zhenxin Chen, Weisong Ma, Mei Fu, Hongjian Lü, Weizhi Yao
Cascade-dam systems impose repeated hydrological discontinuities that convert a river continuum into alternating reservoir–river segments, enhancing environmental heterogeneity and longitudinal gradients beyond the influence of a single dam. Seasonal shifts in temperature and hydrologic conditions also modulate connectivity along the cascade, yet how these drivers jointly shape bacterial community assembly remains poorly understood. This study investigated 10 cascade-dammed reaches of the Qijiang River, collecting paired sediment and water samples in summer and winter. Using an integrated approach of 16S rRNA gene amplicon sequencing, functional gene quantification, and potential process assays, we analyzed the impacts of spatial fragmentation and seasonality on bacterial community structure, assembly mechanisms, and carbon-nitrogen functions. The results revealed a habitat partitioning phenomenon characterized by two divergent assembly mechanisms. The sediment community, predominantly shaped by stable spatial gradients, followed a deterministic track where assembly was consistently dominated by selection. Conversely, the highly sensitive water community followed a season-responsive track, with its assembly shifting from mixed assembly with elevated stochasticity in summer to deterministic control in winter. This functional partitioning was also evident: sediment functions were more strongly associated with community structure, while the water community exhibited high functional redundancy, maintaining relatively stable functional potential despite marked seasonal compositional shifts. Together, these results provide a mechanistic explanation for why dam cascades matter by demonstrating that repeated, season-modulated fragmentation generates habitat-specific assembly pathways and may buffer functional stability in regulated river landscapes.
级联坝系统造成了重复的水文不连续,将河流连续体转化为交替的水库-河流段,增强了环境异质性和纵向梯度,超出了单个大坝的影响。温度和水文条件的季节性变化也调节了级联的连通性,但这些驱动因素如何共同塑造细菌群落组装仍然知之甚少。本研究对綦江10个梯级坝河段进行了夏季和冬季的成对泥沙和水样采集。采用16S rRNA基因扩增子测序、功能基因定量和潜在过程分析等综合方法,分析了空间破碎化和季节性对细菌群落结构、组装机制和碳氮功能的影响。研究结果揭示了一种以两种不同的装配机制为特征的生境分区现象。沉积物群落主要由稳定的空间梯度形成,遵循一个确定性的轨迹,即组合始终以选择为主。相反,高度敏感的水群落遵循季节响应的轨迹,其组合从夏季随机性较高的混合组合转变为冬季确定性控制。这种功能划分也很明显:沉积物功能与群落结构的关联更强,而水群落则表现出高度的功能冗余,尽管季节组成发生明显变化,但仍保持相对稳定的功能潜力。总之,这些结果通过证明重复的、季节调节的破碎化产生了栖息地特定的组装路径,并可能缓冲受调节的河流景观的功能稳定性,为大坝级联为什么重要提供了机制解释。
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引用次数: 0
Unveiling the illusion of successful water quality governance using deep learning 揭开利用深度学习成功治理水质的假象
IF 8.2 2区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2026-01-01 DOI: 10.1016/j.wroa.2025.100476
Yueyi Liu , Hang Zheng , Jianshi Zhao
Observable improvements in surface water quality are often interpreted as evidence of effective governance. However, such conclusions may be misleading when hydrological variability and socio-economic activities obscure inconsistencies in policy implementation. This study develops a deep learning prediction-error framework that combines Convolutional Neural Networks and Long Short-Term Memory networks to predict multiple water quality indicators across China’s Pearl River Basin and to retrospectively assess governance performance. By comparing predicted and observed water quality, the approach identifies temporal and spatial patterns where regulatory signals are strong or weak. The analysis reveals that prediction errors serve as sensitive markers of governance inconsistency, particularly in economically underdeveloped regions where seemingly good water quality does not necessarily reflect robust pollution control. Occasional anomalies, such as short-term degradation coinciding with major public holidays, are presented as examples of governance-related temporal irregularities detectable through this method. Overall, the results demonstrate that deep learning models can serve not only as predictive tools but also as diagnostic instruments for uncovering hidden governance issues, offering a more nuanced evaluation of environmental management than water quality observations alone.
可观察到的地表水质量的改善常常被解释为有效治理的证据。然而,当水文变化和社会经济活动掩盖了政策执行的不一致性时,这种结论可能会产生误导。本研究开发了一个深度学习预测误差框架,该框架结合了卷积神经网络和长短期记忆网络来预测中国珠江流域的多个水质指标,并对治理绩效进行回顾性评估。通过比较预测和观察到的水质,该方法确定了调节信号强弱的时空模式。分析表明,预测误差是治理不一致的敏感标志,特别是在经济不发达地区,在这些地区,看似良好的水质不一定反映出强有力的污染控制。偶尔出现的异常情况,例如与主要公共假日同时发生的短期退化,作为通过这种方法可检测到的与治理有关的时间异常的例子。总体而言,研究结果表明,深度学习模型不仅可以作为预测工具,还可以作为发现隐藏治理问题的诊断工具,提供比单独的水质观察更细致的环境管理评估。
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引用次数: 0
Enhancing carbon sequestration through flocculation of harmful algal blooms by modified clay technology 改性粘土絮凝对有害藻华的固碳作用
IF 8.2 2区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2026-01-01 DOI: 10.1016/j.wroa.2026.100493
Lianbao Chi , Jing Chen , Tianhao Zheng , Wentao Wang , Xiuxian Song , Zhiming Yu
Global efforts to mitigate climate change emphasize the critical need to enhance carbon sinks. Harmful algal blooms (HABs) areas represent hot spots for labile organic carbon production, yet their carbon sequestration capacity is diminished by rapid microbial mineralization. Modified clay (MC) technology, used for HABs mitigation, could enhance the sedimentation and influence the transformation dynamics of algal-derived organic carbon. Nevertheless, the impacts of MC on the mineralization of algal-derived organic carbon and the mechanisms involved remain inadequately understood. In this study, employing ¹³C-labeled batch incubation experiments, we demonstrated that algal-derived organic carbon undergoes rapid mineralization, with 46%–59% of the total organic carbon (TOC) being mineralized within 30 days. MC substantially reduced the mineralization rate of algal-derived organic carbon from 0.68–0.80 mg/(L·d) to 0.09 mg/(L·d), thereby boosting organic carbon sequestration potential by approximately 55-70% compared to the control group. Multiple lines of evidence, including microscopic imaging, fluorescence spectroscopy, and microbial analysis, revealed that MC promoted organic carbon downward export, reduced bioavailability through flocculation and encapsulation, and suppressed heterotrophic bacteria. Notably, the MC treatment group exhibited a significant reduction, with the abundance of heterotrophic bacteria decreasing by approximately 60% and the functional genes associated with microbial mineralization dropping by 50%. Overall, this study presents direct evidence and mechanistic insights that demonstrate the feasibility of employing MC to enhance carbon sequestration in mitigating HABs.
减缓气候变化的全球努力强调了加强碳汇的迫切需要。有害藻华(HABs)地区是产生不稳定有机碳的热点,但其固碳能力因微生物的快速矿化而减弱。改性粘土(MC)技术用于减缓赤潮,可以增强沉积,影响藻源有机碳的转化动态。然而,MC对藻源有机碳矿化的影响及其机制尚不清楚。在本研究中,我们采用¹³c标记的批量培养实验,证明了藻类衍生的有机碳经历了快速矿化,在30天内矿化了总有机碳(TOC)的46%-59%。MC显著降低了藻源有机碳的矿化率,从0.68-0.80 mg/(L·d)降至0.09 mg/(L·d),从而使有机碳固存潜力比对照组提高了约55-70%。显微成像、荧光光谱和微生物分析等多种证据表明,MC促进有机碳向下输出,通过絮凝和包封降低生物利用度,抑制异养细菌。值得注意的是,MC处理组表现出明显的减少,异养细菌的丰度下降了大约60%,与微生物矿化相关的功能基因下降了50%。总体而言,本研究提供了直接证据和机制见解,证明了采用MC来增强碳固存以减轻有害藻华的可行性。
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引用次数: 0
Photocatalytic degradation of PFAS under field water matrix conditions using an adsorptive photocatalyst 利用吸附光催化剂在现场水基质条件下光催化降解PFAS
IF 8.2 2区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2026-01-01 DOI: 10.1016/j.wroa.2026.100485
Yangmo Zhu , Rodney Nelson Leary III , Tianyuan Xu , Ke He , Lee Blaney , Xiaodi Hao , Dongye Zhao
Per- and polyfluoroalkyl substances (PFAS) are ubiquitous in surface waters. While numerous technologies have been investigated to mitigate human exposure, limited information is available for treatment of PFAS in actual field waters. Based on the “concentrate-and-destroy” strategy, we prepared and evaluated an adsorptive photocatalyst, namely gallium-doped activated carbon-supported titanate nanotubes (Ga/TNTs@AC), for treatment of six PFAS in a model surface water. Being most prevalent in the field water, perfluorooctane sulfonate (PFOS) was selected as a representative compound for feasibility and optimization studies. Batch experiments revealed that at a dosage of 1 g/L, Ga/TNTs@AC adsorbed 98% of 100 µg/L PFOS in the surface water within 10 min. Background cations enhanced PFOS removal by suppressing repulsive forces and enabling the cation-bridging effects. Upon UV irradiation, 35.5% of adsorbed PFOS was effectively degraded and 25.8% defluorinated. The photocatalytic defluorination of PFOS was boosted to 70.0% by addition of 60 µM Fe3+ during the photodegradation, where formation of Fe3+−PFOS and Fe3+−DOM complexes reduced the energy barrier, facilitated activation of PFOS, and diminished inhibitory effects of DOM. Acidic conditions were found favorable for both adsorption and photocatalysis of PFOS. Fixed-bed column tests confirmed the effective adsorption of PFOS and other PFAS in the field water, with complete PFOS breakthrough occurred after 5100 bed volumes. Subsequently, the PFAS-laden Ga/TNTs@AC successfully degraded the pre-concentrated PFAS, which also regenerated the Ga/TNTs@AC media for reuse. Ga/TNTs@AC appeared to be a promising material for enabling the “concentrate-&-destroy” strategy for more efficient removal and degradation of PFAS in field waters.
全氟和多氟烷基物质(PFAS)在地表水中普遍存在。虽然已经研究了许多技术来减少人类接触,但在实际现场水域中处理PFAS的信息有限。基于“浓缩-破坏”策略,我们制备并评估了一种吸附光催化剂,即掺镓活性炭负载的钛酸盐纳米管(Ga/TNTs@AC),用于处理模型地表水中的6种PFAS。全氟辛烷磺酸(PFOS)是野外水体中最普遍存在的化合物,本文选择其作为代表化合物进行可行性和优化研究。批量实验表明,在1 g/L的投加量下,Ga/TNTs@AC在10 min内吸附了地表水中98%的100µg/L的PFOS。背景阳离子通过抑制排斥力和实现阳离子桥接效应来增强PFOS的去除。经紫外线照射后,35.5%吸附的全氟辛烷磺酸被有效降解,25.8%被脱氟。在光降解过程中,添加60µM Fe3+可将PFOS的光催化脱氟率提高到70.0%,其中Fe3+−PFOS和Fe3+−DOM络合物的形成降低了能垒,促进了PFOS的活化,减弱了DOM的抑制作用。酸性条件有利于全氟辛烷磺酸的吸附和光催化。固定床柱试验证实了PFOS和其他PFAS在现场水中的有效吸附,在5100层体积后PFOS完全突破。随后,负载PFAS的Ga/TNTs@AC成功地降解了预浓缩的PFAS,并再生了Ga/TNTs@AC介质以供重复使用。Ga/TNTs@AC似乎是一种很有前途的材料,可以实现“浓缩-破坏”策略,更有效地去除和降解现场水中的PFAS。
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引用次数: 0
When population science meets urban sewer networks: Decoding remaining life using life table analytics 当人口科学遇到城市下水道网络:使用生命表分析解码剩余生命
IF 8.2 2区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2026-01-01 DOI: 10.1016/j.wroa.2025.100467
Jingchao Yang , Tarek Zayed , Dramani Arimiyaw , Mohamed Nashat , Ridwan Taiwo , Ghasan Alfalah , Xianyang Liu , Abdelazim Ibrahim
Global urban sewer infrastructure faces an unprecedented aging crisis, with cascading failures threatening public health, environmental protection, and urban resilience. The American Society of Civil Engineers estimates a $271 billion investment gap for US sewer systems alone, highlighting the urgent need for sewer aging analysis to optimize resource allocation. Current analysis methodologies face a critical implementation barrier: their complex data type requirements limit practical adoption across diverse municipal contexts. This study is inspired by the recognition that sewer pipelines, like human populations, experience age-related deterioration, and the demographic life table can be applied to analyze the dominant factors in this process. The methodology transforms traditional multi-parameter models into a two-input approach requiring only current age and dominant analytical factor, while maintaining statistical rigor through Wilcoxon signed-rank tests with Bonferroni correction. As one of Asia's leading metropolitan centers, Hong Kong presents an ideal case study for sewer aging analysis. Therefore, comprehensive empirical validation was conducted across 148,389 pipeline segments spanning four major regions, 18 districts, six soil types, and diverse environmental conditions, culminating in a quartile-based risk classification system integrated with GIS visualization for immediate spatial risk assessment. This streamlined approach enables immediate implementation using minimal data requirements and facilitates the transition from reactive repair strategies to predictive management approaches. This ease of implementation supports sustainable urban development and resilient sewer systems globally, providing a viable solution to the global infrastructure crisis.
全球城市下水道基础设施面临着前所未有的老化危机,一连串的故障威胁着公共健康、环境保护和城市复原力。美国土木工程师协会估计,仅美国下水道系统就存在2710亿美元的投资缺口,这凸显了对下水道老化分析以优化资源分配的迫切需要。当前的分析方法面临着一个关键的实现障碍:它们复杂的数据类型需求限制了在不同市政环境中的实际采用。这项研究的灵感来自于这样一种认识,即下水道管道就像人口一样,会经历与年龄相关的退化,而人口寿命表可以用来分析这一过程中的主导因素。该方法将传统的多参数模型转化为只需要当前年龄和主导分析因素的双输入方法,同时通过带有Bonferroni校正的Wilcoxon sign -rank检验保持统计严密性。作为亚洲领先的大都市中心之一,香港为下水道老化分析提供了一个理想的研究案例。因此,我们对4个主要区域、18个区、6种土壤类型和不同环境条件下的148,389个管道段进行了全面的实证验证,最终建立了基于四分位数的风险分类系统,并结合GIS可视化进行了即时空间风险评估。这种简化的方法可以使用最小的数据需求立即实现,并促进从被动修复策略到预测管理方法的过渡。这种易于实施的特点支持全球可持续城市发展和弹性下水道系统,为全球基础设施危机提供了可行的解决方案。
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引用次数: 0
An iron-carbon bioretention system for enhancing nitrogen and phosphorus removal: Synergy of vadose and saturated zones 一个铁碳生物保留系统,以提高氮和磷的去除:渗透和饱和区的协同作用
IF 8.2 2区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2026-01-01 DOI: 10.1016/j.wroa.2026.100486
Jianqiang Zhou , Xiaojuan Wang , Xichen Song , Jiangtao He , Yawen Zhou , Jie Qin , Yifei Xiao , Suxia Gao , Hua Li , Jianlin Liu , Wei Li , Lianbao Cao , Tingting Zhang , Bigui Wei
To enhance the removal of nitrogen and phosphorus pollutants from urban stormwater runoff in bioretention systems, this study developed an iron-carbon bioretention system with a saturated zone. The system's performance in enhanced pollutant removal was systematically investigated, and the synergistic removal mechanisms between the vadose and saturated zones were elucidated. Experimental results demonstrated that the iron-carbon bioretention system achieved high and stable removal efficiencies for dissolved pollutants, with removal rates of 95.97±2.42% for nitrate-nitrogen, 84.63±3.75% for total nitrogen, 94.88±1.92% for total phosphorus, and 86.99±5.57% for COD. These values represent significant improvements of 69.05%, 44.73%, 49.11%, and 18.63%, respectively, compared to a conventional sand-based bioretention system. Mechanistic analysis of nitrogen and phosphorus removal reveals that the system establishes functional zones in the vertical direction. The aerobic environment in the vadose zone facilitated nitrification and the formation of iron oxides, enabling nitrogen transformation and phosphorus adsorption. Conversely, the anaerobic conditions in the saturated zone drove continuous iron-carbon micro-electrolysis, generating Fe2+ and [H] as inorganic electron donors. This process promoted autotrophic denitrification and precipitated phosphorus as stable iron phosphate. The iron-carbon also enhanced microbial diversity and enriched functional genera involved in autotrophic denitrification (e.g., Hydrogenophaga, Geobacter) and iron cycling (e.g., Shewanella, Geobacteraceae). Furthermore, the presence of iron oxides suppressed CH4 production by competing with methanogens for organic substrates. The higher abundances of Desulfobacterota and Bacteroidota contributed to reduced N2O emissions, thereby mitigating the greenhouse gas footprint of the bioretention system. This study provides a novel strategy for enhancing stormwater purification in bioretention systems.
为了提高生物滞留系统对城市雨水径流中氮磷污染物的去除效果,本研究开发了一种具有饱和带的铁碳生物滞留系统。系统考察了该系统对污染物的强化去除效果,阐明了渗透层与饱和层的协同去除机理。实验结果表明,铁碳生物滞留系统对溶解污染物的去除率高且稳定,对硝酸盐氮的去除率为95.97±2.42%,对总氮的去除率为84.63±3.75%,对总磷的去除率为94.88±1.92%,对COD的去除率为86.99±5.57%。与传统的砂基生物滞留系统相比,这些数值分别提高了69.05%、44.73%、49.11%和18.63%。对脱氮除磷机理分析表明,该体系在垂直方向上形成功能区。气包带的好氧环境有利于硝化作用和氧化铁的形成,有利于氮的转化和磷的吸附。相反,饱和区厌氧条件驱动连续的铁碳微电解,生成Fe2+和[H]作为无机电子供体。这一过程促进了自养反硝化和沉淀磷作为稳定的磷酸铁。铁碳还增强了微生物多样性,并丰富了参与自养反硝化的功能属(例如,Hydrogenophaga, Geobacter)和铁循环(例如,Shewanella, Geobacteraceae)。此外,氧化铁的存在通过与产甲烷菌竞争有机底物抑制了CH4的产生。高丰度的Desulfobacterota和Bacteroidota有助于减少N2O的排放,从而减轻生物滞留系统的温室气体足迹。本研究为加强生物截留系统的雨水净化提供了一种新的策略。
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引用次数: 0
Sorbent- and sorbate-influenced sorption variability and nonlinearity: a meta-analysis on chlorpyrifos with soils, sediments, and other carbonaceous materials 吸附剂和山梨酸影响的吸附变异性和非线性:毒死蜱与土壤、沉积物和其他碳质物质的荟萃分析
IF 8.2 2区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2026-01-01 DOI: 10.1016/j.wroa.2026.100492
Dave T.F. Kuo, Song-Yan Ho
Inter-sample sorption variability and nonlinearity can ambiguate fate and ecotoxicity assessment of organic pollutants and remediation strategy. Nonlinear sorption models that assume constancy in organic carbon (OC) normalized sorption coefficient (KOC) are often adopted across different sorbents. This study explored sorbent-side influence on sorption through meta-analysis and modeling of sorption data on chlorpyrifos, a recently Stockholm Convention enlisted non-ionizable organophosphate pesticide, and its main metabolite 3,5,6-trichloropyridinol (TCP). LogKOC varies by approximately 2 log units among soils and sediments. In predicting sorption with natural geosorbents (n = 519), linear-OC and Freundlich models are outperformed by models considering nonlinear sorbate-side (concentration) and sorbent-side (OC content) effects (S=KOCfOCaCb or KOCfOCϕaCb). All nonlinear chlorpyrifos models are C-linear but fOC-nonlinear. The resulting models predict fairly against out-of-domain (untrained) sorbents including biosolids, peat, dissolved organic matter (DOM), biochar, vegetative residues, and wood pieces with root mean squared error (RMSE) ranging from 0.17 to 0.72 (n = 304), hinting the possibility of a universal sorption model across different carbonaceous sorbents. These models capture sorbate competition and sorbent configuration, and may apply or adapt to other chemicals and carbonaceous sorbents to accommodate changing sorbent configurations, compositions, or volume/domain accessibility. Metaphysically, the proposed nonlinear models are grounded in a reference-adjustment framework, where overall effects are quantified as adjustments relative to a base-case scenario, as in thermodynamics and kinetics. Overall, results challenge KOC constancy that underlies most current models while demonstrating the importance of inter-sorbent variations in composition and configuration of organic components for accurate sorption assessment.
样品间的吸附变异性和非线性会影响有机污染物的命运和生态毒性评估以及修复策略。假设有机碳(OC)归一化吸附系数(KOC)恒定的非线性吸附模型常用于不同的吸附剂。本研究通过对最近加入斯德哥尔摩公约的非电离有机磷农药毒死蜱及其主要代谢物3,5,6-三氯吡啶醇(TCP)的吸附数据进行meta分析和建模,探讨了吸附剂侧对吸附的影响。在土壤和沉积物中,LogKOC相差约2个log单位。在预测天然地吸附剂(n = 519)的吸附时,考虑非线性山山酸盐侧(浓度)和吸附剂侧(OC含量)影响的模型(S=KOCfOCaCb或KOCfOCaCb)优于线性OC和Freundlich模型。所有非线性毒死蜱模型均为c -线性,但c -非线性。所得到的模型对包括生物固体、泥炭、溶解有机物(DOM)、生物炭、植物残留物和木片在内的域外(未经训练的)吸附剂进行了相当好的预测,均方根误差(RMSE)范围为0.17至0.72 (n = 304),这暗示了在不同碳质吸附剂中建立通用吸附模型的可能性。这些模型捕获山梨酸竞争和吸附剂配置,并可适用或适应其他化学品和碳质吸附剂,以适应变化的吸附剂配置,组成,或体积/域可及性。从形而上学上讲,所提出的非线性模型是建立在参考调整框架基础上的,其中整体影响被量化为相对于基本情况的调整,如热力学和动力学。总的来说,结果挑战了当前大多数模型的基础KOC稳定性,同时证明了有机组分组成和配置的吸附剂间变化对准确吸附评估的重要性。
{"title":"Sorbent- and sorbate-influenced sorption variability and nonlinearity: a meta-analysis on chlorpyrifos with soils, sediments, and other carbonaceous materials","authors":"Dave T.F. Kuo,&nbsp;Song-Yan Ho","doi":"10.1016/j.wroa.2026.100492","DOIUrl":"10.1016/j.wroa.2026.100492","url":null,"abstract":"<div><div>Inter-sample sorption variability and nonlinearity can ambiguate fate and ecotoxicity assessment of organic pollutants and remediation strategy. Nonlinear sorption models that assume constancy in organic carbon (OC) normalized sorption coefficient (<em>K</em><sub>OC</sub>) are often adopted across different sorbents. This study explored sorbent-side influence on sorption through meta-analysis and modeling of sorption data on chlorpyrifos, a recently Stockholm Convention enlisted non-ionizable organophosphate pesticide, and its main metabolite 3,5,6-trichloropyridinol (TCP). Log<em>K</em><sub>OC</sub> varies by approximately 2 log units among soils and sediments. In predicting sorption with natural geosorbents (<em>n</em> = 519), linear-OC and Freundlich models are outperformed by models considering nonlinear sorbate-side (concentration) and sorbent-side (OC content) effects (<span><math><mrow><mi>S</mi><mo>=</mo><msub><mi>K</mi><mrow><mi>O</mi><mi>C</mi></mrow></msub><msubsup><mi>f</mi><mrow><mi>O</mi><mi>C</mi></mrow><mi>a</mi></msubsup><msup><mrow><mi>C</mi></mrow><mi>b</mi></msup></mrow></math></span> or <span><math><mrow><msub><mi>K</mi><mrow><mi>O</mi><mi>C</mi></mrow></msub><msub><mi>f</mi><mrow><mi>O</mi><mi>C</mi></mrow></msub><msup><mrow><mi>ϕ</mi></mrow><mi>a</mi></msup><msup><mrow><mi>C</mi></mrow><mi>b</mi></msup></mrow></math></span>). All nonlinear chlorpyrifos models are <em>C</em>-linear but <em>f</em><sub>OC</sub>-nonlinear. The resulting models predict fairly against out-of-domain (untrained) sorbents including biosolids, peat, dissolved organic matter (DOM), biochar, vegetative residues, and wood pieces with root mean squared error (RMSE) ranging from 0.17 to 0.72 (<em>n</em> = 304), hinting the possibility of a universal sorption model across different carbonaceous sorbents. These models capture <em>sorbate competition</em> and <em>sorbent configuration</em>, and may apply or adapt to other chemicals and carbonaceous sorbents to accommodate changing sorbent configurations, compositions, or volume/domain accessibility. Metaphysically, the proposed nonlinear models are grounded in a reference-adjustment framework, where overall effects are quantified as adjustments relative to a base-case scenario, as in thermodynamics and kinetics. Overall, results challenge <em>K</em><sub>OC</sub> constancy that underlies most current models while demonstrating the importance of inter-sorbent variations in composition and configuration of organic components for accurate sorption assessment.</div></div>","PeriodicalId":52198,"journal":{"name":"Water Research X","volume":"30 ","pages":"Article 100492"},"PeriodicalIF":8.2,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146037314","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
The crucial role of activated sludge models (ASMs) on wastewater treatment processes: Developments, applications, and future perspectives 活性污泥模型(asm)在废水处理过程中的关键作用:发展、应用和未来展望
IF 8.2 2区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2026-01-01 DOI: 10.1016/j.wroa.2026.100497
Tianlong Zheng , Yuxin Wang , Lin Li , Junxin Liu , Pengyu Li
Activated sludge models (ASMs), the most widely used mathematical models for biological wastewater treatment, offer a simplified matrix-based representation of pollutant biochemical degradation. As understanding of wastewater treatment mechanisms has advanced, the simplifying assumptions of general ASMs have proven unreasonable under certain conditions, prompting their improvement. Existing reviews often focus on the specific application of ASMs, with limited comprehensive analyses of their multi-dimensional extensions and cross-model integrations. This review provides the first systematic overview of the latest developments in ASMs, focusing on model mechanism extension and multi-scale model integration. In terms of mechanism extension, the incorporation of new theories and secondary reaction has enhanced the accuracy of models in simulating membrane bioreactor systems, phosphorus removal, and industrial wastewater treatment. It has also quantified the generation and dissipation pathways of N2O and provided a basis for sludge reduction and sedimentation control. Regarding model integration, this review focuses on the coupling interfaces between ASMs and other models, such as anaerobic reaction models, convection-diffusion theory, hydrodynamic models, and machine learning. These coupled models enable full-scale simulation from micro-level biochemical reactions to macro-level environmental dynamics. Finally, the review emphasizes that future ASMs developments should focus on improving mechanisms and addressing emerging contaminants. It highlights that integrating artificial intelligence can serve as a key tool to balance model accuracy and parameter identifiability. The present review aims to establish a systematic research framework for ASMs, analyze the limitations of existing models, and ultimately provide insights for enhancing the precision and application of ASMs in wastewater treatment.
活性污泥模型(asm)是废水生物处理中使用最广泛的数学模型,它提供了一种简化的基于矩阵的污染物生化降解表示。随着对废水处理机理的深入了解,一般asm的简化假设在某些条件下被证明是不合理的,这促使了它们的改进。现有的评论通常集中在asm的特定应用上,对其多维扩展和跨模型集成的综合分析有限。本文首次系统综述了asm的最新进展,重点介绍了模型机制扩展和多尺度模型集成。在机理拓展方面,新理论和二次反应的引入提高了模型在模拟膜生物反应器系统、除磷和工业废水处理等方面的准确性。量化了N2O的生成和消散途径,为污泥减量和沉降控制提供了依据。在模型集成方面,本文综述了asm与其他模型的耦合接口,如厌氧反应模型、对流扩散理论、流体动力学模型和机器学习。这些耦合模型使从微观生化反应到宏观环境动力学的全尺寸模拟成为可能。最后,综述强调未来asm的发展应侧重于改进机制和解决新出现的污染物。它强调了集成人工智能可以作为平衡模型准确性和参数可识别性的关键工具。本文旨在建立一个系统的asm研究框架,分析现有模型的局限性,最终为提高asm在废水处理中的精度和应用提供见解。
{"title":"The crucial role of activated sludge models (ASMs) on wastewater treatment processes: Developments, applications, and future perspectives","authors":"Tianlong Zheng ,&nbsp;Yuxin Wang ,&nbsp;Lin Li ,&nbsp;Junxin Liu ,&nbsp;Pengyu Li","doi":"10.1016/j.wroa.2026.100497","DOIUrl":"10.1016/j.wroa.2026.100497","url":null,"abstract":"<div><div>Activated sludge models (ASMs), the most widely used mathematical models for biological wastewater treatment, offer a simplified matrix-based representation of pollutant biochemical degradation. As understanding of wastewater treatment mechanisms has advanced, the simplifying assumptions of general ASMs have proven unreasonable under certain conditions, prompting their improvement. Existing reviews often focus on the specific application of ASMs, with limited comprehensive analyses of their multi-dimensional extensions and cross-model integrations. This review provides the first systematic overview of the latest developments in ASMs, focusing on model mechanism extension and multi-scale model integration. In terms of mechanism extension, the incorporation of new theories and secondary reaction has enhanced the accuracy of models in simulating membrane bioreactor systems, phosphorus removal, and industrial wastewater treatment. It has also quantified the generation and dissipation pathways of N<sub>2</sub>O and provided a basis for sludge reduction and sedimentation control. Regarding model integration, this review focuses on the coupling interfaces between ASMs and other models, such as anaerobic reaction models, convection-diffusion theory, hydrodynamic models, and machine learning. These coupled models enable full-scale simulation from micro-level biochemical reactions to macro-level environmental dynamics. Finally, the review emphasizes that future ASMs developments should focus on improving mechanisms and addressing emerging contaminants. It highlights that integrating artificial intelligence can serve as a key tool to balance model accuracy and parameter identifiability. The present review aims to establish a systematic research framework for ASMs, analyze the limitations of existing models, and ultimately provide insights for enhancing the precision and application of ASMs in wastewater treatment.</div></div>","PeriodicalId":52198,"journal":{"name":"Water Research X","volume":"30 ","pages":"Article 100497"},"PeriodicalIF":8.2,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146037414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Using “big data” and non-linear machine learning to infer groundwater contamination mechanisms across a spatially extensive, geologically heterogeneous region 利用“大数据”和非线性机器学习来推断空间广泛、地质异质性区域的地下水污染机制
IF 8.2 2区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL Pub Date : 2026-01-01 DOI: 10.1016/j.wroa.2025.100475
Ioan Petculescu , Anna Majury , R. Stephen Brown , Kevin McDermott , Paul Hynds
Groundwater accounts for approximately 98% of available freshwater, with >2 billion people relying on it as a primary drinking water source. Notwithstanding its importance, specific groundwater quality parameters - namely microbial concentrations and non-Escherichia coli coliforms (NEC) - remain understudied. The current study sought to address this gap by modelling three distinct Contamination Indices (CI) corresponding to E. coli concentration, NEC concentration, and the NEC:E. coli concentration ratio. CIs were developed for south Ontario (115,693 km2) using ∼1 million samples from ∼290,000 wells collected between 2010 and 2021. To permit modelling, CIs were linked to 50 subregion-specific variables which impact groundwater quality (e.g., well depth, aquifer type, mean daily precipitation volumes); Generalized Additive Models (GAM) were subsequently developed and associated non-linear partial effects were calculated. Findings suggest NEC concentrations may appropriately indicate a source’s long-term potential for generalized contamination, as the NEC model exhibited high deviance explained (91.9%) due to significant associations (p < 0.05) with factors influencing and/or representing groundwater recharge. A daily summer rainfall “tipping point” was identified, with volumes >3 mm being associated with NEC concentration reductions (p < 0.0001), potentially due to subsoil saturation and/or aquifer contamination dilution. Regions with predominantly deep wells in bedrock aquifers were associated (p < 0.0001) with low NEC:E. coli ratios, i.e., localized contamination mechanisms (e.g., contaminant bypass or short-circuiting) likely dominate in these regions. The presumption that deeper aquifers/wells are “safer” may thus be due for reconsideration. The importance of understanding and inferring contamination mechanisms cannot be overstated, as it serves as a foundation for evidence-based source protection and testing recommendations.
地下水约占可用淡水的98%,有20亿人依赖地下水作为主要饮用水源。尽管它很重要,具体的地下水质量参数- -即微生物浓度和非大肠杆菌大肠菌群- -仍未得到充分研究。目前的研究试图通过模拟三种不同的污染指数(CI)来解决这一差距,这些指数分别对应于大肠杆菌浓度、NEC浓度和NEC:E。大肠杆菌浓度比。ci是在安大略省南部(115,693平方公里)开发的,使用了2010年至2021年间收集的约290,000口井中的约100万份样本。为了建立模型,ci与影响地下水质量的50个分区域特定变量(例如,井深、含水层类型、平均日降水量)相关联;随后建立了广义加性模型(GAM),并计算了相关的非线性局部效应。研究结果表明,NEC浓度可以适当地表明污染源长期潜在的普遍污染,因为NEC模型显示出很高的偏差(91.9%),这是由于影响和/或代表地下水补给的因素显著相关(p < 0.05)。确定了每日夏季降雨量的“临界点”,3毫米的降雨量与NEC浓度降低有关(p < 0.0001),可能是由于地下土壤饱和和/或含水层污染稀释。基岩含水层中以深井为主的区域NEC:E值较低(p < 0.0001)。大肠杆菌比例,即局部污染机制(如污染物旁路或短路)可能在这些地区占主导地位。因此,认为更深的含水层/井更“安全”的假设可能需要重新考虑。理解和推断污染机制的重要性怎么强调都不为过,因为它是基于证据的源保护和检测建议的基础。
{"title":"Using “big data” and non-linear machine learning to infer groundwater contamination mechanisms across a spatially extensive, geologically heterogeneous region","authors":"Ioan Petculescu ,&nbsp;Anna Majury ,&nbsp;R. Stephen Brown ,&nbsp;Kevin McDermott ,&nbsp;Paul Hynds","doi":"10.1016/j.wroa.2025.100475","DOIUrl":"10.1016/j.wroa.2025.100475","url":null,"abstract":"<div><div>Groundwater accounts for approximately 98% of available freshwater, with &gt;2 billion people relying on it as a primary drinking water source. Notwithstanding its importance, specific groundwater quality parameters - namely microbial concentrations and non-<em>Escherichia coli</em> coliforms (NEC) - remain understudied. The current study sought to address this gap by modelling three distinct Contamination Indices (CI) corresponding to <em>E. coli</em> concentration, NEC concentration, and the NEC:<em>E. coli</em> concentration ratio. CIs were developed for south Ontario (115,693 km<sup>2</sup>) using ∼1 million samples from ∼290,000 wells collected between 2010 and 2021. To permit modelling, CIs were linked to 50 subregion-specific variables which impact groundwater quality (e.g., well depth, aquifer type, mean daily precipitation volumes); Generalized Additive Models (GAM) were subsequently developed and associated non-linear partial effects were calculated. Findings suggest NEC concentrations may appropriately indicate a source’s long-term potential for generalized contamination, as the NEC model exhibited high deviance explained (91.9%) due to significant associations (<em>p</em> &lt; 0.05) with factors influencing and/or representing groundwater recharge. A daily summer rainfall “tipping point” was identified, with volumes &gt;3 mm being associated with NEC concentration reductions (<em>p</em> &lt; 0.0001), potentially due to subsoil saturation and/or aquifer contamination dilution. Regions with predominantly deep wells in bedrock aquifers were associated (<em>p</em> &lt; 0.0001) with low NEC:<em>E. coli</em> ratios, i.e., localized contamination mechanisms (e.g., contaminant bypass or short-circuiting) likely dominate in these regions. The presumption that deeper aquifers/wells are “safer” may thus be due for reconsideration. The importance of understanding and inferring contamination mechanisms cannot be overstated, as it serves as a foundation for evidence-based source protection and testing recommendations.</div></div>","PeriodicalId":52198,"journal":{"name":"Water Research X","volume":"30 ","pages":"Article 100475"},"PeriodicalIF":8.2,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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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Water Research X
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