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Learning physics and temporal dependencies: real-time modeling of water distribution systems via Kolmogorov–Arnold attention networks 学习物理和时间依赖性:通过Kolmogorov-Arnold注意力网络的水分配系统的实时建模
IF 11.4 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-08-08 DOI: 10.1038/s41545-025-00505-y
Zekun Zou, Zhihong Long, Gang Xu, Raziyeh Farmani, Tingchao Yu, Shipeng Chu

Real-time modeling is vital for the intelligent management of urban water distribution systems (WDSs), enabling proactive decision-making, rapid anomaly detection, and efficient operational control. In comparison with traditional mechanistic simulators, data-driven models offer faster computation and reduced calibration demands, making them more suitable for real-time applications. However, existing models often accumulate long-term prediction errors and fail to capture the strong temporal dependencies in measured time series. To address these challenges, this study proposes the Kolmogorov–Arnold Attention Network for the real-time modeling of WDSs (KANSA), which combines Kolmogorov–Arnold Networks with attention mechanisms to extract temporal dependency features through bidirectional spatiotemporal processing. Additionally, a multi-equation soft-constraint formulation embeds mass and energy conservation laws into the loss function, mitigating cumulative errors and enhancing physical consistency. Evaluations on a benchmark network and a real-world system demonstrate that KANSA achieves high-accuracy real-time estimation and pattern fidelity while maintaining engineering-grade hydraulic balance.

实时建模对于城市配水系统(WDSs)的智能管理至关重要,可以实现主动决策、快速异常检测和有效的运行控制。与传统的机械模拟器相比,数据驱动模型提供了更快的计算和更少的校准需求,使其更适合实时应用。然而,现有模型往往积累了长期预测误差,无法捕捉到测量时间序列中较强的时间依赖性。为了解决这些问题,本研究提出了Kolmogorov-Arnold注意力网络用于wds的实时建模(KANSA),该网络将Kolmogorov-Arnold网络与注意机制相结合,通过双向时空处理提取时间依赖性特征。此外,多方程软约束公式将质量和能量守恒定律嵌入到损失函数中,减轻了累积误差并增强了物理一致性。对基准网络和实际系统的评估表明,KANSA在保持工程级水力平衡的同时实现了高精度的实时估计和模式保真度。
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引用次数: 0
ST-GPINN: a spatio-temporal graph physics-informed neural network for enhanced water quality prediction in water distribution systems ST-GPINN:一个时空图物理信息神经网络,用于增强配水系统的水质预测
IF 11.4 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-08-07 DOI: 10.1038/s41545-025-00499-7
Tianwei Mu, Feiyu Duan, Baokuan Ning, Bo Zhou, Junyu Liu, Manhong Huang

Data-driven models often neglect the underlying physical principles, limiting generalization capabilities in water distribution systems (WDSs). This study presents a novel spatio-temporal graph physics-informed neural network (ST-GPINN) for water quality prediction in WDSs, integrating hydraulic simulations, physics-informed neural networks (PINNs), and graph neural networks (GNNs) to capture dynamics and graph-based network connectivity while approximating partial differential equations (PDEs). ST-GPINN discretizes WDSs using virtual nodes to enhance spatial granularity, employs an Encoder-Processor-Decoder architecture for predictions. Validated on Network A (a small-scale network with 9 junctions and 11 pipes) and Network B (a real large-scale WDS with 920 junctions and 1032 pipes), ST-GPINN outperforms others, achieving a MAE of 0.0073 mg/L, RMSE of 0.0121 mg/L, and R2 of 88.91% in Network A, and a MAE of 0.008 mg/L, RMSE of 0.0098 mg/L, and R² of 98.91% in Network B. Its scalability and accuracy highlight ST-GPINN’s potential for water quality predictions.

数据驱动的模型往往忽略了潜在的物理原理,限制了水分配系统(WDSs)的泛化能力。本研究提出了一种新的时空图形物理信息神经网络(ST-GPINN),用于WDSs的水质预测,整合水力模拟、物理信息神经网络(pinn)和图形神经网络(gnn),在近似偏微分方程(PDEs)的同时捕捉动态和基于图形的网络连通性。ST-GPINN使用虚拟节点离散wds来增强空间粒度,采用编码器-处理器-解码器架构进行预测。在网络A(包含9个节点和11个管道的小规模网络)和网络B(包含920个节点和1032个管道的真实大规模水系统)上进行验证,ST-GPINN优于其他网络,网络A的MAE为0.0073 mg/L, RMSE为0.0121 mg/L, R2为88.91%,网络B的MAE为0.008 mg/L, RMSE为0.0098 mg/L, R²为98.91%,其可扩展性和准确性突出了ST-GPINN在水质预测方面的潜力。
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引用次数: 0
Enhanced nitrogen removal via SNAD-IFAS process treating THP-AD liquor: microbial community and co-metabolism mechanism SNAD-IFAS工艺处理THP-AD液强化脱氮:微生物群落及共代谢机制
IF 11.4 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-08-06 DOI: 10.1038/s41545-025-00502-1
Xiaochen Xu, Xiao Feng, Weichun Gao, Fenglin Yang, Bing Liu, Chao Wang

The anaerobic digester liquor after thermal hydrolysis pretreatment (THP-AD liquor) is a highly hazardous wastewater containing high concentration of ammonium. Herein, a novel two-stage tandem-type simultaneous partial nitrification, anammox, and denitrification-integrated fixed biofilm activated sludge (SNAD-IFAS) hybrid process was successfully constructed for treating THP-AD liquor. The average removal efficiencies of ammonium, total nitrogen, and chemical oxygen demand in the stable phase were 94.0%, 89.9%, and 66.8%, respectively. The specific anammox activity of the two SNAD-IFAS reactors was 68.72 and 42.15 mg N/(g VSS·h), respectively. Candidatus Kuenenia and Candidatus Brocadia (13.49–20.94%) were the main genus of anammox bacteria. Although the relative abundance of Nitrosomonas (0.21–1.67%) was very lower than other bacteria, Nitrosomonas was a central genus in the co-occurrence network. Moreover, the genes involved in pyridine, dioxin, protein, and carbohydrate degradation were remarkably enriched in SNAD-IFAS, indicating the co-metabolism mechanism of refractory organic degradation. This study provides a low energy consumption, high efficiency, and low-carbon technology for treating THP-AD liquor.

热水解预处理后厌氧消化液(THP-AD液)是一种含高浓度铵的高危废水。本文成功构建了一种新型的两级串联型同时部分硝化、厌氧氨氧化和反硝化一体化固定生物膜活性污泥(SNAD-IFAS)混合工艺处理THP-AD液。稳定相对铵态氮、总氮和化学需氧量的平均去除率分别为94.0%、89.9%和66.8%。两个SNAD-IFAS反应器的厌氧氨氧化比活性分别为68.72和42.15 mg N/(g VSS·h)。厌氧氨氧化菌主要属Kuenenia和Brocadia(13.49% ~ 20.94%)。虽然亚硝基单胞菌的相对丰度(0.21-1.67%)远低于其他细菌,但亚硝基单胞菌是共现网络中的中心属。此外,参与吡啶、二恶英、蛋白质和碳水化合物降解的基因在SNAD-IFAS中显著富集,表明了难降解有机降解的共代谢机制。本研究提供了一种低能耗、高效率、低碳的处理THP-AD白酒的工艺。
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引用次数: 0
CaO2 pretreatment enhances fecal pollution indicator removal during mesophilic anaerobic digestion of sewage sludge CaO2预处理提高了污泥中温厌氧消化过程中粪便污染指标的去除率
IF 11.4 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-08-05 DOI: 10.1038/s41545-025-00506-x
Yuhang Wang, Wenhao Fang, Hua Li, Ru Wang, Xinxin Wang, Xiaomeng Wang, Lixiang Zhou, Guanyu Zheng

Municipal sludge retains fecal pathogens that pose challenges in its treatment and utilization. Mesophilic anaerobic digestion (MAD) fails to achieve adequate pathogen reduction while demonstrating inconsistent methane. To address these, the feasibility of reducing fecal pollution indicators, including Escherichia coli (EC), human-specific Bacteroides HF183 (HF183), human adenovirus (HAdV), JC and BK polyomaviruses (JCPyV and BKPyV), and crAssphage by combining MAD with CaO2 pre-treatment was assessed. Both ·OH and ·O2 were produced during CaO2 pre-treatment. ·OH mainly accounted for the removal of these indicators, while ·O2 reduced their infectivity. In MAD process, CaO2 pre-treatment accelerated the decay of most indicators with the elevated ammonia nitrogen in digested sludge. Overall, CaO2 pre-treatment and the MAD process predominantly contributed to the reduction of HF183, JCPyV and HAdV and the reduction of crAssphage, EC, and BKPyV, respectively, and combining MAD with CaO2 pre-treatment is an effective approach for removing fecal indicators from sludge.

城市污泥中残留的粪便病原体对其处理和利用构成挑战。中温厌氧消化(MAD)未能达到充分的病原体减少,同时显示不一致的甲烷。为了解决这些问题,我们评估了MAD联合CaO2预处理降低粪便污染指标的可行性,包括大肠杆菌(EC)、人类特异性拟杆菌HF183 (HF183)、人腺病毒(HAdV)、JC和BK多瘤病毒(JCPyV和BKPyV)和噬菌体。在CaO2预处理过程中,生成了·OH和·O2−。·OH对这些指标的去除起主要作用,而·O2−则降低了这些指标的感染力。在MAD工艺中,CaO2预处理加速了大部分指标的衰减,并提高了消化污泥中氨氮的含量。综上所示,CaO2预处理和MAD工艺对HF183、JCPyV、hav的减少以及对crasspge、EC、BKPyV的减少贡献最大,MAD与CaO2预处理相结合是去除污泥中粪便指标的有效途径。
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引用次数: 0
Symmetric anion exchange membranes enhance arsenic removal and overcome conductivity limitations in FCDI systems 对称阴离子交换膜提高了砷的去除,克服了FCDI系统的电导率限制
IF 11.4 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-08-02 DOI: 10.1038/s41545-025-00503-0
Siyao Zhang, Purui Wang, Wenchao Xue, Wanni Zhang, Fangyuan Liu, Chaoge Yang, Hanlong Liu, Yang Zhang, Zimeng Zhang, Chunpeng Zhang

Conventional flow-electrode capacitive deionization (FCDI) often exhibits performance constraints stemming from elevated ion migration resistance associated with diminished conductivity within the desalination chamber, particularly under complex aqueous matrices. This investigation introduces a symmetric anion-exchange membrane (AEM) configuration engineered to circumvent these conductivity limitations and enhance arsenic removal efficacy. Relative to conventional designs, the symmetric-AEM configuration demonstrated an approximate 19.4% enhancement in arsenic removal efficiency. For influent streams with initial arsenic concentrations of 1000 μg·L⁻¹, effluent concentrations were diminished below the analytical detection limit (0.02 μg·L⁻¹) employing a two-stage sequential process. This configuration sustains or potentially enhances desalination-chamber conductivity by optimizing ion migration pathways and facilitating anion compensation via highly mobile chloride ions. The contributions of chloride ions as supporting electrolytes and the transformations of arsenic valence states were interrogated, providing mechanistic insights into the observed performance improvements. Our findings signify a practical advancement in FCDI, presenting a potentially robust and efficacious strategy for arsenic remediation in contaminated groundwater. Thus, the symmetric-AEM configuration represents a significant advancement toward the broader implementation and practical application of FCDI systems for potable water production.

传统的流动电极电容去离子(FCDI)通常表现出性能限制,这是由于海水淡化室中与电导率降低相关的离子迁移阻力升高,特别是在复杂的水性基质下。本研究介绍了一种对称阴离子交换膜(AEM)结构,旨在绕过这些电导率限制,提高除砷效率。与常规设计相比,对称aem结构的砷去除效率提高了约19.4%。与初始入渗流砷浓度的1000μg·L⁻¹,废水浓度下降低于分析检出限(0.02μg·L⁻¹)采用顺序过程分为两个阶段。这种结构通过优化离子迁移途径和通过高流动性氯离子促进阴离子补偿,维持或潜在地增强了脱盐室的电导率。氯离子作为支持电解质的贡献和砷价态的转变被询问,为观察到的性能改进提供了机制上的见解。我们的研究结果表明了FCDI的实际进展,为污染地下水中的砷修复提供了一种潜在的强大而有效的策略。因此,对称aem结构代表了饮用水生产中FCDI系统的广泛实施和实际应用的重大进步。
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引用次数: 0
A systematic approach towards a zero-waste water treatment: clay-carbon composite adsorbents made from drinking water treatment sludge 实现零废水处理的系统方法:从饮用水处理污泥中制备粘土-碳复合吸附剂
IF 11.4 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-08-02 DOI: 10.1038/s41545-025-00507-w
Lucas Landwehrkamp, Minja Bogunović Koljaja, Munima Sultana, Ivana Ivančev-Tumbas, Stefan Panglisch

Increasingly stringent water quality standards are forcing more water treatment facilities to implement adsorption steps. Activated carbon is efficient but has a high environmental impact due to CO₂ emissions and energy demand. Adsorbents derived from water treatment residuals offer a potential solution. In this study, a novel laboratory rotary furnace was designed to produce clay-carbon composite adsorbents from drinking water treatment residues. The process was optimized using a statistical design of experiments, representing the first comprehensive statistical analysis of the thermal activation of such residuals. Thermal activation increased the specific surface area almost tenfold (112–201 m²/g). The adsorbents were tested for removal of ibuprofen, caffeine, diclofenac (1 µg/L), and brilliant blue FCF (5 mg/L). Response surface models showed that heating rate (p < 0.003) and ramp duration (p < 0.00002) significantly influenced adsorption capacity. Mass balance calculations suggest on-site production could fully substitute activated carbon and generate surplus material.

越来越严格的水质标准迫使越来越多的水处理设施实施吸附步骤。活性炭是高效的,但由于二氧化碳排放和能源需求,对环境的影响很大。从水处理残留物中提取的吸附剂提供了一个潜在的解决方案。在本研究中,设计了一种新型的实验室旋转炉,用于从饮用水处理残留物中生产粘土-碳复合吸附剂。该过程使用实验的统计设计进行了优化,代表了首次对此类残留物的热活化进行全面的统计分析。热活化使比表面积增加了近10倍(112-201 m²/g)。测试吸附剂对布洛芬、咖啡因、双氯芬酸(1µg/L)和亮蓝FCF (5 mg/L)的去除率。响应面模型显示升温速率(p < 0.003)和升温持续时间(p < 0.00002)显著影响吸附量。质量平衡计算表明,现场生产可以完全替代活性炭并产生多余的材料。
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引用次数: 0
Methylmercury carbon isotope fractionation during biotic methylation by the bacterial BerOc1 strain 细菌BerOc1菌株在生物甲基化过程中的甲基汞碳同位素分馏
IF 11.4 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-07-29 DOI: 10.1038/s41545-025-00500-3
Luisa M. Malberti-Quintero, Jin-Ping Xue, Remy Guyoneaud, Alina Kleindienst, Christelle Lagane, Laure Laffont, Jeroen E. Sonke, Zoyne Pedrero, Emmanuel Tessier, David Amouroux, David Point

Biotic methylation of inorganic mercury (iHg) in aquatic systems is largely driven by microorganisms such as sulfate-reducing bacteria (SRB). Using the SRB model strain Pseudodesulfovibrio hydrargyri BerOc1 we investigated biotic iHg methylation aiming to assess the rates of mono-methylmercury (CH3Hg) production and to characterize the carbon (C) isotopic signatures (δ13C) of the CH3Hg product. BiogenicCH3Hg exhibited δ13C values averaging −23.1 ± 2.0‰, representing a 13C-depletion of 14.4‰ compared to the pyruvate carbon source used for the growing of the strain and a 9‰ depletion relative to the microbial biomass. The maximum methylation yield observed in our samples was around 15% of the available iHg and a constant C isotope fractionation was detected over time. We propose that the methyl group is metabolically transferred from the carbon sources to cobalamin in the HgcA protein and subsequently to inorganic mercury (iHg), leading to consistent light C isotope enriched CH3Hg signatures.

水生系统中无机汞(iHg)的生物甲基化主要是由硫酸盐还原菌(SRB)等微生物驱动的。利用SRB模型菌株Pseudodesulfovibrio hydrargyri BerOc1研究了生物汞甲基化,旨在评估单甲基汞(CH3Hg)的生成速率,并表征CH3Hg产物的碳(C)同位素特征(δ13C)。BiogenicCH3Hg的δ13C平均值为- 23.1±2.0‰,与菌株生长所用的丙酮酸碳源相比,δ13C损耗为14.4‰,与微生物生物量相比,δ13C损耗为9‰。在我们的样品中观察到的最大甲基化产率约为可用iHg的15%,并且随着时间的推移检测到恒定的C同位素分馏。我们提出甲基从碳源代谢转移到HgcA蛋白中的钴胺素,随后转移到无机汞(iHg),导致一致的轻C同位素富集CH3Hg特征。
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引用次数: 0
Bird’s-eye view of per- and polyfluoroalkyl substances pollution research in the African hydrosphere 非洲水圈单氟烷基和多氟烷基物质污染研究鸟瞰图
IF 11.4 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-07-28 DOI: 10.1038/s41545-025-00495-x
Sabastian Simbarashe Mukonza, Nhamo Chaukura

The surge in Africa’s economy has led to increased use of per- and polyfluoroalkyl substances (PFASs), resulting in environmental pollution. This has spurred regulatory and research efforts to mitigate these impacts. We used data analytics to study PFAS pollution in aquatic ecosystems in Africa and model PFAS concentrations using socio-economic variables. In agreement with literature, urbanization, gross domestic product, and population growth drive PFAS pollution.

非洲经济的激增导致全氟烷基和多氟烷基物质的使用增加,造成环境污染。这刺激了监管和研究工作,以减轻这些影响。我们使用数据分析研究了非洲水生生态系统中的PFAS污染,并使用社会经济变量对PFAS浓度进行了建模。与文献一致,城市化、国内生产总值和人口增长推动了PFAS污染。
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引用次数: 0
Nanoparticle-encapsulated organo-magnetogels: crosslinked network for broad-spectrum pollutant removal 纳米颗粒包封的有机磁凝胶:交联网络用于广谱污染物去除
IF 11.4 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-07-25 DOI: 10.1038/s41545-025-00496-w
Sanjeevi Prasath Sridhar, Sudha Uthaman, Logesh Kumar Pandurangan, Armin Kriele, Debasish Saha, Baohu Wu, Velraj Parthiban, Janaki Vembu Murugesan, Balachandar Vijayakumar, Stephan Förster, Aurel Radulescu, Brijitta Joseph

In this contribution, we report the synthesis of a poly(4-vinylpyridine)-reduced graphene oxide-magnetite (P4VP-rGO-Fe₃O₄) organo-magnetogel (OMG), designed for high-performance pollutant adsorption. In the OMG, rGO and Fe₃O₄ nanoparticles are in situ encapsulated during the chemical cross-linking of the 4-vinylpyridine polymer. The adsorption performance of OMG was evaluated using three model water pollutants, viz., organic dyes, heavy metal ions, and waterborne pathogens. The equilibrium adsorption capacity exceeded 400 mg/g for the organic dyes. Beyond dye removal, the OMG also adsorbed heavy metal ions, such as AsO2, Pb²⁺, Cr2O72−, and Cd²⁺ ions, with removal efficiencies exceeding 60% and adsorption capacities exceeding 200 mg/g. The OMG also exhibited remarkable antibacterial activity against E. coli and S. Typhi, with almost zero viability for S. Typhi. The OMG promises a broad-spectrum applicability in wastewater treatment, offering a sustainable and efficient solution for water decontamination.

在这篇论文中,我们报道了一种用于高性能污染物吸附的聚(4-乙烯基吡啶)-还原氧化石墨烯-磁铁矿(P4VP-rGO-Fe₃O₄)有机磁性聚合物(OMG)的合成。在OMG中,rGO和Fe₃O₄纳米颗粒在4-乙烯基吡啶聚合物的化学交联过程中被原位封装。采用有机染料、重金属离子和水媒病原体三种模型水污染物对OMG的吸附性能进行了评价。对有机染料的平衡吸附量超过400 mg/g。除染料外,OMG还能吸附重金属离子,如AsO2−、Pb 2 +、Cr2O72−和Cd 2 +,去除效率超过60%,吸附量超过200 mg/g。OMG对大肠杆菌和伤寒沙门氏菌也表现出显著的抑菌活性,对伤寒沙门氏菌的抑菌活性几乎为零。OMG承诺在废水处理中具有广泛的适用性,为水净化提供了可持续和高效的解决方案。
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引用次数: 0
Enhancing polysulfone membranes with UiO-66-NH2@TiO2 for humic acid removal in a PMR under visible light 用UiO-66-NH2@TiO2增强聚砜膜在可见光下对PMR中腐植酸的去除
IF 11.4 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-07-22 DOI: 10.1038/s41545-025-00498-8
Saeed Shirazian, Hashem O. Alsaab, Masoud Habibi Zare, Qingxia Yang

In this study, the composite photocatalyst UiO-66-NH₂@TiO₂ and a polysulfone membrane modified with it were evaluated for removing humic acid (HA) under visible light in a photocatalytic membrane reactor (PMR). The photocatalyst and membrane were analyzed using FTIR, XRD, FESEM, PL, DRS, AFM, BET, contact angle, and porosity tests to assess pollutant removal, water flux, and membrane resistance. Synthesis was confirmed by FTIR and XRD, while DRS showed a 2.87 eV bandgap, indicating visible light activity. PL results revealed reduced electron-hole recombination. FTIR and SEM confirmed photocatalyst presence and uniform dispersion in the membrane, improving hydrophilicity by decreasing the contact angle by 8°. In suspension, the photocatalyst removed 93% of HA under visible light. Among modified membranes, PS-UNT6% performed best, showing a 26% increase in pure water flux and 12% higher HA removal (total 95.2%) compared to the unmodified membrane. Fouling was significantly reduced, with only a 14% flux drop after 12 h under light, versus 19% without modification. Pore-blocking resistance decreased by over 98%, along with reductions in intrinsic, fouling, and cake resistances, demonstrating enhanced membrane performance through photocatalytic modification.

在光催化膜反应器(PMR)中,研究了uio -66- nh2 @TiO 2复合光催化剂及其改性聚砜膜在可见光下对腐植酸(HA)的去除效果。采用FTIR、XRD、FESEM、PL、DRS、AFM、BET、接触角和孔隙率测试对光催化剂和膜进行了分析,以评估污染物去除、水通量和膜阻力。通过FTIR和XRD证实了合成,DRS的带隙为2.87 eV,表明其具有可见光活性。PL结果显示电子-空穴复合减少。FTIR和SEM证实了光催化剂在膜上的存在和均匀分散,通过减少8°的接触角来提高亲水性。在悬浮液中,光催化剂在可见光下去除93%的HA。在改性膜中,PS-UNT6%表现最好,与未改性膜相比,纯水通量增加26%,HA去除率提高12%(总计95.2%)。污染明显减少,光照12小时后通量仅下降14%,而未经改性的通量下降19%。孔阻塞阻力降低了98%以上,同时降低了固有阻力、污垢阻力和饼阻力,表明通过光催化改性增强了膜的性能。
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引用次数: 0
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