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The effect of sub-boiling temperatures on mass transfer from former manufactured gas plant residuals.
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-21 DOI: 10.1016/j.jconhyd.2025.104508
Yunxiao Wei, Kevin G Mumford, Neil R Thomson, Shupeng Li, Guanlin Guo, Tianxiang Xia, Peng Liu

The dissolution of polycyclic aromatic hydrocarbons (PAHs) from coal tar at former manufactured gas plant (FMGP) sites is a long-term threat to groundwater quality. The dissolution rate is often limited by an increase in the viscosity of the non-aqueous phase liquid (NAPL) as the lower molecular weight compounds are depleted over time, and this slow mass transfer prevents the effective application of remediation technologies that rely on NAPL-to-water mass transfer to remove or degrade mass. Increasing subsurface temperatures has the potential to increase mass transfer at FMGP sites by increasing PAH solubility and reducing NAPL viscosity. This study investigated the mass transfer of PAH compounds from a synthetic NAPL mixture and FMGP residual at 25, 50 and 80 °C using well-mixed batch experiments. Effective solubilities increased by up to an order of magnitude and mass transfer rate coefficients increased by up to a factor of 45. Enhancements were greater for higher molecular weight compounds, and for the more complex FMGP NAPL compared to the synthetic mixture due to a more substantial decrease in NAPL viscosity. Simulations using a screening-level model demonstrated the potential for sub-boiling temperature to increase NAPL mass removal at FMGP sites, with increases in concentration up to a factor of seven, and 6 to 87 % of mass remaining after heating to 80 °C for 120 days compared to 25 °C.

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引用次数: 0
Analytical study for two-dimensional transport of organic contaminant in a polymer material-enhanced composite cutoff wall system.
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-20 DOI: 10.1016/j.jconhyd.2025.104505
Wenhao Jiang, Hao Wang, Linfeng Cao

Polymer material (PM) is a novel vertical barrier material, demonstrated to be effective in impeding pollutants. However, the associated transport research is limited. This study aims to develop an analytical solution for two-dimensional transport of organic contaminant in the PM-enhanced composite cutoff wall (CCW) system, where the variable substitution and Fourier transform methods are used. This analytical solution, available in various simplifications, is effectively validated via several comparisons. Following this, the analyses show that an increase in the non-uniformity of pollution source concentration distribution shortens the PM-enhanced CCW's breakthrough time (tb), while exhibits a marginal effect on the total flux at its exit. The increment of aquifer horizontal thickness prolongs the tb to some extent, whereas an increase in its hydraulic conductivity slightly reduces the tb. Additionally, the PM layer location is found to have a little effect on the PM-enhanced CCW's barrier performance. Furthermore, the equivalent performance assessment reveals that the improvement gained from increasing the PM layer thickness far surpasses that from increasing the single-layered cutoff wall thickness, and this difference may exceed 10. For a PM layer with low hydraulic conductivity, it is more suitable for engineering scenarios with the higher hydraulic head difference. Totally, the proposed analytical solution offers a valuable tool for designing the PM-enhanced CCW.

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引用次数: 0
Modeling of hydrogeochemical processes influencing uranium migration in anthropized arid environments with application to the Teloua aquifer.
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-20 DOI: 10.1016/j.jconhyd.2025.104507
L De Windt, P Grizard, C Besançon, F Assalack, I Djibo Hama, P E Reiller, N Seigneur, M Descostes

Sandstone-hosted uranium is mined in the Sahel regions of Niger. The Teloua aquifer is located beneath the ore-processing facilities of one such former mine, COMINAK. The pores of the sandstone bedrock are partially filled by tosudite, a clay with sorption capacities. The local groundwater presents a strong oxidizing signature and very low water recharge. This study aims to determine the geochemical baseline of anthropogenic activity for uranium under such extreme conditions. The major and trace elements of both the contaminated and the pristine local groundwaters were sampled and analyzed to develop geochemical and reactive transport models. Kd distribution coefficients were calculated a posteriori from the mechanistic simulations. The entire water chemistry, with large variations in calcium, carbonate and sulfate concentrations, had to be taken into account to properly simulate the speciation and migration of U(VI) in the aquifer locally affected by the mining activities. U(VI) sorption significantly decreases during the propagation of the contaminant plume, due to the formation of CanUO2(CO3)3(4-2n)- complexes that were clearly demonstrated by TRLFS acquisition. The sorption of UO2(CO3)n(2-2n) can play a key role in the immobilization of U(VI). The mitigating factors for U(VI) are sorption on clay and the dispersion/dilution of the contaminated source terms within the groundwater, in which the strong ternary complexes are less important. There should be an efficient immobilization of fixed anthropic uranium by natural attenuation once the contaminant source terms have become depleted.

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引用次数: 0
Release of poly- and perfluoroalkyl substances from AFFF-impacted soils: Effects of water saturation in vadose zone soils.
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-19 DOI: 10.1016/j.jconhyd.2025.104506
Stefanie M Shea, Charles E Schaefer, Tissa Illangasekare, Christopher P Higgins

Soil samples collected from an aqueous film-forming foam (AFFF)-impacted sandy soil formation at two depth intervals above the water table were used in bench-scale column experiments to evaluate the release of poly- and perfluoroalkyl substances (PFASs) under different degrees of water saturation. Artificial rainwater was applied to the soils under constant and variably saturated conditions. Results from constant saturation experiments suggest that retention of PFAS mass at air-water interfaces was evident in the deep soil (foc < 0.00068 g/g), particularly for longer chain and zwitterionic compounds, while PFAS mass release from the shallow soil (foc = 0.0034 g/g) was consistent with kinetically controlled desorption from the soil. The release profiles for the perfluoroalkyl sulfonamides (FASAs) differed from other PFASs examined, with more FASAs generally being eluted under fully saturated conditions from both the shallow and deep soils. Importantly, variably saturated conditions resulted in more PFAS eluting from the soils: the average release rate of PFHxS from both soils was 10-fold higher under variably saturated conditions than under constant conditions. Both soils retained significant fractions of the total PFAS mass even after extensive flushing (51-83.8 % for PFOS). These results suggest that PFAS transport in vadose zone soils is influenced by air-water interfaces, but solid-phase desorption also plays a role. Overall, these results are consistent with observations in the field and serve to confirm key mechanisms that control PFAS leaching.

{"title":"Release of poly- and perfluoroalkyl substances from AFFF-impacted soils: Effects of water saturation in vadose zone soils.","authors":"Stefanie M Shea, Charles E Schaefer, Tissa Illangasekare, Christopher P Higgins","doi":"10.1016/j.jconhyd.2025.104506","DOIUrl":"https://doi.org/10.1016/j.jconhyd.2025.104506","url":null,"abstract":"<p><p>Soil samples collected from an aqueous film-forming foam (AFFF)-impacted sandy soil formation at two depth intervals above the water table were used in bench-scale column experiments to evaluate the release of poly- and perfluoroalkyl substances (PFASs) under different degrees of water saturation. Artificial rainwater was applied to the soils under constant and variably saturated conditions. Results from constant saturation experiments suggest that retention of PFAS mass at air-water interfaces was evident in the deep soil (f<sub>oc</sub> < 0.00068 g/g), particularly for longer chain and zwitterionic compounds, while PFAS mass release from the shallow soil (f<sub>oc</sub> = 0.0034 g/g) was consistent with kinetically controlled desorption from the soil. The release profiles for the perfluoroalkyl sulfonamides (FASAs) differed from other PFASs examined, with more FASAs generally being eluted under fully saturated conditions from both the shallow and deep soils. Importantly, variably saturated conditions resulted in more PFAS eluting from the soils: the average release rate of PFHxS from both soils was 10-fold higher under variably saturated conditions than under constant conditions. Both soils retained significant fractions of the total PFAS mass even after extensive flushing (51-83.8 % for PFOS). These results suggest that PFAS transport in vadose zone soils is influenced by air-water interfaces, but solid-phase desorption also plays a role. Overall, these results are consistent with observations in the field and serve to confirm key mechanisms that control PFAS leaching.</p>","PeriodicalId":15530,"journal":{"name":"Journal of contaminant hydrology","volume":"269 ","pages":"104506"},"PeriodicalIF":3.5,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143038964","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
Quantification of denitrification rate in shallow groundwater using the single-well, push-pull test technique.
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-17 DOI: 10.1016/j.jconhyd.2025.104500
Aldrin Rivas, Ranvir Singh, David Horne, Jonathan Roygard, Abby Matthews, Michael Hedley

Denitrification has been identified as a significant nitrate attenuation process in groundwater systems. Hence, accurate quantification of denitrification rates is consequently important for the better understanding and assessment of nitrate contamination of groundwater systems. There are, however, few studies that have investigated quantification of shallow groundwater denitrification rates using different analytical approaches or assuming different kinetic reaction models. In this study, we assessed different analytical approaches (reactant versus product) and kinetic reaction (zero-order and first-order) models analysing observations from a single-well, push-pull tests to quantify denitrification rates in shallow groundwater at two sites in the Manawatū River catchment, Lower North Island of New Zealand. Shallow groundwater denitrification rates analysed using the measurements of denitrification reactant (nitrate reduction) and zero-order kinetic models were quantified at 0.42-1.07 mg N L-1 h-1 and 0.05-0.12 mg N L-1 h-1 at the Palmerston North (PNR) and Woodville (WDV) sites, respectively. However, using first-order kinetic models, the denitrification rates were quantified at 0.03-0.09 h-1 and 0.002-0.012 h-1 at the PNR and WDV sites, respectively. These denitrification rates based on the measurements of denitrification reactant (nitrate reduction) were quantified significantly higher (6 to 60 times) than the rates estimated using the measurements of denitrification product (nitrous oxide production). However, the denitrification rate quantified based on the nitrate reduction may provide representative value of denitrification characteristics of shallow groundwater systems. This is more so when lacking practical methods to quantify all nitrogen species (i.e., total N, organic N, nitrite, nitrate, ammoniacal N, nitrous oxide, nitric oxide, and nitrogen gas) in a push-pull test. While estimates of denitrification rates also differed depending on the kinetic model used, both a zero-order and a first-order model appear to be valid to analyse and estimate denitrification rate from push-pull tests. However, a discrepancy in estimates of denitrification rates using either reactant or product and using zero- or first-order kinetics models may have implications in assessment of nitrate transport and transformation in groundwater systems. This necessitates further research and analysis for appropriate measurements and representation of spatial and temporal variability in denitrification characteristics of the shallow groundwater system.

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引用次数: 0
Influence of wettability on water retention curves in unconsolidated porous media. 疏松多孔介质中润湿性对保水曲线的影响
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-13 DOI: 10.1016/j.jconhyd.2025.104502
Gerhard Schäfer, Kevin Hernandez Perez, Panav Hulsurkar, Magda Ibrahim Youssif, François Lehmann, Mohammad Piri

Controlled laboratory experiments were carried out using the hanging column method. Prior to the experiments, three uniform silica sands, which were originally water-wet, were aged in contact with crude oil until they were moderately oil-wet. Five fractionally wet sands were obtained by mixing the water-wet sands with oil-wet sands containing 25, 50 and 75 vol% oil-wet sands. A total of 11 tests formed the basis for the present study. The measured water retention curves showed that the capillary pressure heads were greatly reduced in sands that were oil-wet or fractionally wet. Changes in the wettability of the sands also affected their irreducible water saturation: The higher the proportion of oil-wet sand in the sand mixtures, the lower the irreducible water saturation. To quantify the characteristics of the measured water retention curves, the Van Genuchten model was used. The two optimized parameters seem to indicate a general trend: The higher the volume fraction of oil-wet sand, the higher is α and the lower is n. For the three unaged sands and the aged medium-sized sand, it was found that each of the two branches of the measured retention curves can be suitably scaled to a unique curve if, in addition to the petrophysical parameters (intrinsic permeability, porosity, surface tension, gas-water contact angle), the irreducible residual water saturation and the residual air saturation are taken into account. To quantify the observed deviations of the other two aged sands from the unified Leverett J-function, a theoretical fit function was used to match the experimental data of the three unaged sands. The experimental data sets for P2040ag and P100ag were found to be overestimated overall by the fit function. However, when the petrophysical parameters of the unaged sands were used instead of the actual measured parameters, the individual experimental Leverett J-functions came closer to the uniform J-curve. Based on this, it could be concluded that the apparent differences in pore structure between aged and unaged sands in addition to wettability, expressed by the cosine of the contact angle, may have contributed to a further reduction in the capillary pressure plateaus of the aged sands, which was particularly visible and significant in the P2040 and P100 sand. Using the measured static contact angles for two-phase gas-oil and oil-water systems and the measured interfacial tensions when the porous medium is either water-wet or moderately oil-wet, it was shown that the Bartell-Osterhof equation overestimates the measured gas-water contact angles. Reasonable agreement was achieved when a calibrated roughness factor of the solid surface was considered in the Young's contact angle.

采用悬挂柱法进行了室内对照试验。在实验之前,三种均匀的硅砂,最初是水湿的,在与原油接触中老化,直到它们具有适度的油湿性。将水湿砂与含油量分别为25%、50%和75%的油湿砂混合,得到5种分湿砂。共有11项测试构成了本研究的基础。实测的保水曲线表明,在油湿或部分湿砂中,毛管压力头大大降低。砂体润湿性的变化也影响其不可还原水饱和度:油湿砂在砂体混合物中的比例越高,其不可还原水饱和度越低。为了量化所测保水曲线的特征,采用了Van Genuchten模型。这两个优化后的参数似乎表明了一个总体趋势:油湿砂体积分数越大,α值越高,n值越低。对于3种未老化砂和中等老化砂,除了考虑岩石物性参数(固有渗透率、孔隙度、表面张力、气水接触角)外,考虑不可还原残余水饱和度和残余气饱和度,所测截留曲线的两个分支都可以适当地缩放成一条独特的曲线。为了量化观测到的另外两种老化砂与统一的Leverett j函数的偏差,采用理论拟合函数对三种未老化砂的实验数据进行拟合。通过拟合函数发现P2040ag和P100ag的实验数据集总体上被高估。然而,当使用未老化砂岩的岩石物性参数代替实际测量参数时,单个实验Leverett j函数更接近均匀的j曲线。由此可以得出结论,老化砂与未老化砂在孔隙结构上的明显差异以及以接触角余弦值表示的润湿性可能是导致老化砂毛管压力高原进一步降低的原因,这在P2040和P100砂中尤为明显和显著。利用实测的气-油-油-水两相体系的静态接触角,以及孔隙介质为水湿或中度油湿时实测的界面张力,表明Bartell-Osterhof方程高估了实测的气-水接触角。当在杨氏接触角中考虑固体表面的校准粗糙度因子时,获得了合理的一致性。
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引用次数: 0
Identifying dissolved reactive phosphorus sources in agricultural runoff and leachate using phosphate oxygen isotopes. 利用磷氧同位素鉴定农业径流和渗滤液中溶解活性磷的来源。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-11 DOI: 10.1016/j.jconhyd.2025.104501
Rose C K Mumbi, Mark R Williams, William I Ford, James J Camberato, Chad J Penn

Agricultural phosphorus (P) losses may result from either recently applied fertilizers or from P accumulated in soil and sediment. While both P sources pose an environmental risk to freshwater systems, differentiating between sources is crucial for identifying and implementing management practices to decrease loss. In this study, laboratory rainfall simulations were completed on runoff boxes and undisturbed soil columns before and after fertilizer application. The oxygen-18 signature of phosphate (δ18OPO4) in fertilizer, surface runoff, subsurface leachate, and soil were analyzed (n = 107 samples) to quantify new (recently applied) and old (soil) P losses in runoff and leachate. Results showed that dissolved reactive P (DRP) concentration in runoff and leachate substantially increased during the rainfall simulation immediately after fertilizer application, with runoff and leachate δ18OPO4 similar to fertilizer δ18OPO4 signatures. Greater than 90 % of the DRP load during this event could be attributed to direct loss of P from fertilizer using δ18OPO4. Beyond the first rainfall event after fertilizer application, DRP concentration decreased and leachate δ18OPO4 values differed from the fertilizer values. Interpretation of isotope results was challenging because both abiotic (isotope fractionation during transport) and biotic (P cycling) processes may have influenced δ18OPO4 signatures during these subsequent events. While abiotic effects on δ18OPO4 appear more probable given the experimental conditions in the current study (high soil test P concentration, short duration between rainfall simulations, and strong relationship between event water and δ18OPO4 signature), tracing or separating P sources remains highly uncertain during these events post-fertilizer application. Findings highlight both potential opportunities and challenges of using δ18OPO4 to trace sources of P through the landscape.

农业磷的损失可能是由于最近施用的肥料或土壤和沉积物中积累的磷造成的。虽然两种磷源都对淡水系统构成环境风险,但区分不同的来源对于确定和实施减少损失的管理措施至关重要。本研究在施肥前后分别对径流箱和原状土柱进行了室内降雨模拟。分析了肥料、地表径流、地下渗滤液和土壤中磷酸盐(δ18OPO4)的氧-18特征(n = 107个样本),以量化径流和渗滤液中新(最近施用)和旧(土壤)P的损失。结果表明:在降雨模拟过程中,施肥后径流和渗滤液中溶解活性磷(DRP)浓度显著增加,径流和渗滤液δ18OPO4特征与施肥后的δ18OPO4特征相似;在此事件中,超过90%的DRP负荷可归因于δ18OPO4肥料对P的直接损失。施肥后第一次降雨后,DRP浓度下降,渗滤液δ18OPO4值与施肥值不同。同位素结果的解释具有挑战性,因为在这些后续事件中,非生物(运输过程中的同位素分馏)和生物(P循环)过程都可能影响δ18OPO4特征。虽然在当前研究的实验条件下(土壤试验磷浓度高、降雨模拟之间的持续时间短、事件水与δ18OPO4特征之间的强烈关系),非生物效应对δ18OPO4的影响似乎更有可能,但在这些事件施肥后,追踪或分离P源仍然高度不确定。研究结果强调了利用δ18OPO4在景观中追踪磷来源的潜在机遇和挑战。
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引用次数: 0
Recent progresses and perspectives of polyethylene biodegradation by bacteria and fungi: A review. 细菌和真菌降解聚乙烯的研究进展及展望
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-06 DOI: 10.1016/j.jconhyd.2025.104499
Yun Kong, Renjuan Wang, Qingyun Zhou, Jiamiao Li, Yimeng Fan, Qi Chen

Plastics pollution has become a serious threat to the people and environment due to the mass production, unreasonable disposal and continuous pollution. Polyethylene (PE), one of the most utilized plastics all over the world, is considered as a highly recalcitrant environmental destruction problem on account of strong hydrophobicity and high molecular weight. Therefore, it is urgently necessary to seek economical and efficient treatment and disposal methods for PE. Considering microorganisms can use various carbon sources for anabolism, they are recognized to have great potential in the biodegradation of microplastics including PE. From this point of view, the present review concentrates on providing information regarding the current status of PE biodegradation microorganisms (bacteria and fungi), and the influencing factors such as PE characteristics, cellular surface hydrophobicity, physical treatments, chemicals addition, as well as environmental conditions for biodegradation are thoroughly discussed. Furthermore, the possible biodegradation mechanisms for PE involve the biofilm formation, biodeterioration, fragmentation, assimilation, and mineralization are elucidated in detail. Finally, the future research directions and application prospects of microbial degradation are prospected in this review. It is expected to provide reference and guidance for PE biodegradation and their potential applications in real contaminated sites.

由于塑料的大量生产、不合理的处理和持续的污染,塑料污染已经成为对人类和环境的严重威胁。聚乙烯(PE)是世界上应用最广泛的塑料之一,由于其强疏水性和高分子量,被认为是一个高度顽固的环境破坏问题。因此,迫切需要寻求经济高效的PE处理处置方法。考虑到微生物可以利用各种碳源进行合成代谢,它们在包括PE在内的微塑料的生物降解中具有巨大的潜力。从这一角度出发,本文综述了PE生物降解微生物(细菌和真菌)的研究现状,并对PE特性、细胞表面疏水性、物理处理、化学添加以及生物降解的环境条件等影响因素进行了深入的讨论。此外,还详细阐述了PE的生物降解机制,包括生物膜形成、生物降解、破碎、同化和矿化。最后,对微生物降解的未来研究方向和应用前景进行了展望。期望为PE的生物降解及其在实际污染场地的潜在应用提供参考和指导。
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引用次数: 0
Microplastic pollution in the marine environment: Distribution factors and mitigation strategies in different oceans. 海洋环境中的微塑料污染:不同海洋的分布因素和缓解战略。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-03 DOI: 10.1016/j.jconhyd.2025.104496
Shahabaldin Rezania, Saba Miri, Jinwoo Cho, Jin Hur, Hesam Kamyab, Negisa Darajeh, Ali Akbar Mohammadi, Farzad Molani, Mohsen Taghavijeloudar

As the COVID-19 pandemic began in 2020, plastic usage spiked, and microplastic (MP) generation has increased dramatically. It is documented that MP can transfer from the source to the ocean environment where they accumulate as the destination. Therefore, it is essential to understand their transferring pathways and effective environmental factors to determine the distribution of MPs in the marine environment. This article reviews the environmental factors that affect MP distribution in the oceans including abiotic such as ocean currents and wind direction, physical/chemical and biological reactions of MPs, natural sinking, particle size and settling velocity, and biotic including biofouling, and incorporation in fecal material. It was found that velocity and physical shearing are the most important parameters for MP accumulation in the deep ocean. Besides, this review proposes different research-based, national-level, and global-level strategies for the mitigation of MPs after the pandemic. Based on the findings, the level of MP pollution in the oceans is directly correlated to coastal areas with high populations, particularly in African and Asian countries. Future studies should focus on establishing predictive models based on the movement and distribution of MPs to mitigate the levels of pollution.

随着2020年COVID-19大流行的开始,塑料使用量激增,微塑料(MP)的产生急剧增加。有文献表明,多聚体可以从源头转移到海洋环境,并在海洋环境中作为目的地积累。因此,了解MPs的转移途径和有效环境因子是确定MPs在海洋环境中分布的关键。本文综述了影响海洋中悬浮微粒分布的环境因素,包括非生物因素(如洋流和风向)、悬浮微粒的物理/化学和生物反应、自然沉降、粒径和沉降速度,以及生物因素(如生物污垢和粪便中的掺入)。研究发现,速度和物理剪切是影响深海MP聚集的最重要参数。此外,本综述提出了基于研究、国家层面和全球层面的不同战略,以缓解大流行后的MPs。根据研究结果,海洋中多聚氰胺的污染水平与人口稠密的沿海地区直接相关,特别是在非洲和亚洲国家。未来的研究应侧重于建立基于MPs运动和分布的预测模型,以减轻污染水平。
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引用次数: 0
AQuA-P: A machine learning-based tool for water quality assessment. AQuA-P:基于机器学习的水质评估工具。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-03 DOI: 10.1016/j.jconhyd.2025.104498
L Díaz-González, R A Aguilar-Rodríguez, J C Pérez-Sansalvador, N Lakouari

This study addresses the critical challenge of assessing the quality of groundwater and surface water, which are essential resources for various societal needs. The main contribution of this study is the application of machine learning models for evaluating water quality, using a national database from Mexico that includes groundwater, lotic (flowing), lentic (stagnant), and coastal water quality parameters. Notably, no comparable water quality classification system currently exists. Five advanced machine learning techniques were employed: extreme gradient boosting (XGB), support vector machines, K-nearest neighbors, decision trees, and multinomial logistic regression. The performance of the models was evaluated using the accuracy, precision, and F1 score metrics. The decision tree models emerged as the most effective across all water body types, closely followed by XGB. Therefore, the decision tree models were integrated into the AQuA-P software, which is currently the only software of its kind. It is recommended that these innovative water classification models be used through the AQuA-P software to facilitate informed decision-making in water quality management. This software provides a probability-based classification system that contributes to a deeper understanding of water quality dynamics. Lastly, an open-access repository containing all the datasets and Python notebooks used in our analysis is provided, allowing for easy adaptation and implementation of our methodology for other datasets worldwide.

本研究解决了评估地下水和地表水质量的关键挑战,这是满足各种社会需求的基本资源。本研究的主要贡献是应用机器学习模型来评估水质,使用墨西哥的国家数据库,其中包括地下水,流动(流动),死水(停滞)和沿海水质参数。值得注意的是,目前没有类似的水质分类系统。采用了五种先进的机器学习技术:极端梯度增强(XGB)、支持向量机、k近邻、决策树和多项逻辑回归。使用准确性、精密度和F1评分指标来评估模型的性能。决策树模型在所有水体类型中最有效,XGB紧随其后。因此,将决策树模型集成到目前同类软件中唯一的AQuA-P软件中。建议通过AQuA-P软件使用这些创新的水分类模型,以促进水质管理中的知情决策。该软件提供了一个基于概率的分类系统,有助于更深入地了解水质动态。最后,提供了一个开放访问的存储库,其中包含我们分析中使用的所有数据集和Python笔记本,从而可以轻松地针对全球其他数据集调整和实施我们的方法。
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Journal of contaminant hydrology
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