Pub Date : 2024-10-31DOI: 10.1016/j.watres.2024.122715
Zhenming Shi , Junliang Li , Yong Zhi Zhao , Shaoqiang Meng , Chengzhi Xia
This paper examines the thermo-hydro-mechanical (THM) coupling behavior of layered transversely isotropic media under axisymmetric and plane strain conditions by utilizing the transformed differential quadrature method (TDQM), taking groundwater into consideration. Initially, the coupled governing equations of layered transversely isotropic media in multi-dimensional coordinate systems are established with considering the influence of groundwater levels. Subsequently, appropriate integral transform methods are applied to derive ordinary differential equations under different coordinate systems. It can be seen that the equations in different coordinate systems after the discretization are similar. Boundary conditions and internal continuity conditions are defined through the stress-strain relationship in the transformed domains, which are integrated into the discretized equations to form the global matrix equations. After solving the matrix equations, this study verifies the solution and investigates the impact of groundwater levels and the key parameters of transverse isotropy, and compares the behaviors of the media in different coordinate systems.
{"title":"Investigating the impacts of groundwater and anisotropy on thermal-hydro-mechanical coupling with multi-dimensional analysis","authors":"Zhenming Shi , Junliang Li , Yong Zhi Zhao , Shaoqiang Meng , Chengzhi Xia","doi":"10.1016/j.watres.2024.122715","DOIUrl":"10.1016/j.watres.2024.122715","url":null,"abstract":"<div><div>This paper examines the thermo-hydro-mechanical (THM) coupling behavior of layered transversely isotropic media under axisymmetric and plane strain conditions by utilizing the transformed differential quadrature method (TDQM), taking groundwater into consideration. Initially, the coupled governing equations of layered transversely isotropic media in multi-dimensional coordinate systems are established with considering the influence of groundwater levels. Subsequently, appropriate integral transform methods are applied to derive ordinary differential equations under different coordinate systems. It can be seen that the equations in different coordinate systems after the discretization are similar. Boundary conditions and internal continuity conditions are defined through the stress-strain relationship in the transformed domains, which are integrated into the discretized equations to form the global matrix equations. After solving the matrix equations, this study verifies the solution and investigates the impact of groundwater levels and the key parameters of transverse isotropy, and compares the behaviors of the media in different coordinate systems.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"268 ","pages":"Article 122715"},"PeriodicalIF":11.4,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142556410","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Pub Date : 2024-10-31DOI: 10.1016/j.watres.2024.122729
Wenguang Wang , Chao Wang , Renyao Huang , Guanghui Hong , Yanqiu Zhang , Xigui Zhang , Lu Shao
Monovalent cation exchange membranes (MCEMs) have progressively played an important role in the field of ion separation. However, according to transition state theory (TST), synchronously tuning the enthalpy barrier (△H) and entropy barrier (△S) for cation transport to improve ion separation performance is challenging. Here, the enamine reaction between the -NH- and -CHO groups is applied to regulate the subsequent Schiff-base reaction between the -CHO and -NH2 groups, which reduces the positive charges of the selective layer but increases the steric hindrance. The increased -T△S (△S term) for cation transport plays an important role in improving Li+/Mg2+ separation performance. The optimal positively-charged glutaraldehyde@piperazine/polyethyleneimine assembled membrane (M-Glu@PIP/PEI) has a perm-selectivity (Li+/Mg2+) of 31.83 with a Li+ flux of 1.87 mol·m-2·h-1, surpassing the Li+/Mg2+ separation performance of state-of-the-art monovalent ion selective membranes (MISMs). Most importantly, the selective electrodialysis (S-ED) process with M-Glu@PIP/PEI can be directly applied to treat simulated salt-lake brines (SLBs), and its superior Li+/Mg2+ separation performance and operational stability enables 74.44 % of the lithium resources with a Li+ purity of 34.02 % to be recovered. This study presents new insights into the design of high-performance MCEMs for energy-efficient resource recovery.
{"title":"Boosting lithium/magnesium separation performance of selective electrodialysis membranes regulated by enamine reaction","authors":"Wenguang Wang , Chao Wang , Renyao Huang , Guanghui Hong , Yanqiu Zhang , Xigui Zhang , Lu Shao","doi":"10.1016/j.watres.2024.122729","DOIUrl":"10.1016/j.watres.2024.122729","url":null,"abstract":"<div><div>Monovalent cation exchange membranes (MCEMs) have progressively played an important role in the field of ion separation. However, according to transition state theory (TST), synchronously tuning the enthalpy barrier (<em>△H</em>) and entropy barrier (<em>△S</em>) for cation transport to improve ion separation performance is challenging. Here, the enamine reaction between the -NH- and -CHO groups is applied to regulate the subsequent Schiff-base reaction between the -CHO and -NH<sub>2</sub> groups, which reduces the positive charges of the selective layer but increases the steric hindrance. The increased -T<em>△S</em> (<em>△S</em> term) for cation transport plays an important role in improving Li<sup>+</sup>/Mg<sup>2+</sup> separation performance. The optimal positively-charged glutaraldehyde@piperazine/polyethyleneimine assembled membrane (M-Glu@PIP/PEI) has a perm-selectivity (Li<sup>+</sup>/Mg<sup>2+</sup>) of 31.83 with a Li<sup>+</sup> flux of 1.87 mol·m<sup>-2</sup>·h<sup>-1</sup>, surpassing the Li<sup>+</sup>/Mg<sup>2+</sup> separation performance of state-of-the-art monovalent ion selective membranes (MISMs). Most importantly, the selective electrodialysis (S-ED) process with M-Glu@PIP/PEI can be directly applied to treat simulated salt-lake brines (SLBs), and its superior Li<sup>+</sup>/Mg<sup>2+</sup> separation performance and operational stability enables 74.44 % of the lithium resources with a Li<sup>+</sup> purity of 34.02 % to be recovered. This study presents new insights into the design of high-performance MCEMs for energy-efficient resource recovery.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"268 ","pages":"Article 122729"},"PeriodicalIF":11.4,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142556232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Pub Date : 2024-10-30DOI: 10.1016/j.watres.2024.122706
Mingxu Cao , Zhenxue Dai , Junjun Chen , Huichao Yin , Xiaoying Zhang , Jichun Wu , Hung Vo Thanh , Mohamad Reza Soltanian
Accurately estimating high-dimensional permeability (k) fields through data assimilation is critical for minimizing uncertainties in groundwater flow and solute transport simulations. However, designing an effective monitoring network to obtain diverse system responses in heterogeneous aquifers for data assimilation presents significant challenges. To investigate the influence of different measurement types (hydraulic heads, solute concentrations, and permeability) and monitoring strategies on the accuracy of permeability characterization, this study integrates a deep learning-based surrogate modeling approach and the entropy-based maximum information minimum redundancy (MIMR) monitoring design criterion into a data assimilation framework. An ensemble MIMR-optimized method is developed to provide more comprehensive monitoring information and avoid missing key information due to the randomness of stochastic response datasets in entropy analysis. A numerical case of solute transport with log-Gaussian permeability fields is presented, with twelve scenarios designed by combining different measurement types and monitoring strategies. The results demonstrated that the proposed ensemble MIMR-optimized method significantly improved the k-field estimates compared to the conventional MIMR method. Additionally, high prediction accuracy in forward modeling is essential for ensuring reliable inversion results, especially for observation data with strong nonlinearity. The findings of this study enhance our understanding and management of k-field estimation in heterogeneous aquifers, contributing to the development of more robust inversion frameworks for general data assimilation tasks.
通过数据同化准确估算高维渗透率（k）场对于最大限度地减少地下水流和溶质运移模拟的不确定性至关重要。然而，设计一个有效的监测网络来获取异质含水层中的各种系统响应以进行数据同化却面临着巨大的挑战。为了研究不同测量类型（水头、溶质浓度和渗透率）和监测策略对渗透率表征精度的影响，本研究将基于深度学习的代用建模方法和基于熵的最大信息最小冗余（MIMR）监测设计准则整合到数据同化框架中。研究开发了一种集合 MIMR 优化方法，以提供更全面的监测信息，并避免因熵分析中随机响应数据集的随机性而遗漏关键信息。结合不同的测量类型和监测策略设计了十二种方案，介绍了具有对数高斯渗透场的溶质输运数值案例。结果表明，与传统的 MIMR 方法相比，所提出的集合 MIMR 优化方法显著提高了 k 场估计值。此外，前向建模中的高预测精度对于确保可靠的反演结果至关重要，特别是对于具有强非线性的观测数据。本研究的发现增强了我们对异质含水层 k 场估计的理解和管理，有助于为一般数据同化任务开发更稳健的反演框架。
{"title":"An integrated framework of deep learning and entropy theory for enhanced high-dimensional permeability field identification in heterogeneous aquifers","authors":"Mingxu Cao , Zhenxue Dai , Junjun Chen , Huichao Yin , Xiaoying Zhang , Jichun Wu , Hung Vo Thanh , Mohamad Reza Soltanian","doi":"10.1016/j.watres.2024.122706","DOIUrl":"10.1016/j.watres.2024.122706","url":null,"abstract":"<div><div>Accurately estimating high-dimensional permeability (<strong><em>k</em></strong>) fields through data assimilation is critical for minimizing uncertainties in groundwater flow and solute transport simulations. However, designing an effective monitoring network to obtain diverse system responses in heterogeneous aquifers for data assimilation presents significant challenges. To investigate the influence of different measurement types (hydraulic heads, solute concentrations, and permeability) and monitoring strategies on the accuracy of permeability characterization, this study integrates a deep learning-based surrogate modeling approach and the entropy-based maximum information minimum redundancy (MIMR) monitoring design criterion into a data assimilation framework. An ensemble MIMR-optimized method is developed to provide more comprehensive monitoring information and avoid missing key information due to the randomness of stochastic response datasets in entropy analysis. A numerical case of solute transport with log-Gaussian permeability fields is presented, with twelve scenarios designed by combining different measurement types and monitoring strategies. The results demonstrated that the proposed ensemble MIMR-optimized method significantly improved the <strong><em>k</em></strong>-field estimates compared to the conventional MIMR method. Additionally, high prediction accuracy in forward modeling is essential for ensuring reliable inversion results, especially for observation data with strong nonlinearity. The findings of this study enhance our understanding and management of <strong><em>k</em></strong>-field estimation in heterogeneous aquifers, contributing to the development of more robust inversion frameworks for general data assimilation tasks.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"268 ","pages":"Article 122706"},"PeriodicalIF":11.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Pub Date : 2024-10-30DOI: 10.1016/j.watres.2024.122651
Jinxiu Lou , Lu Yin , Feilong Dong , Zhanfei He , Huijie Lu , Shuangxi Fang , Xiangliang Pan
Nitrogenous disinfection byproducts (N-DBPs) are notorious for their serious health risks, yet nitrate (NO3-) mediates N-DBPs generation during UV/chlorine treatment remains unexplored. This study investigated the interaction of chlorine and NO3- on N-DBPs formation and developed a specific fragment-based screening method using UPLC-QTOF-MS to explore the underlying mechanism. Results showed that the chlorine-to-nitrogen (Cl/NO3--N) molar ratio significantly affects dichloroacetonitrile (DCAN) and dichloroacetamide (DCAM) generation, with peak concentrations at a Cl/NO3--N molar ratio of around 15. NO3- promotes the production of HO•, which positively correlates with DCAN and DCAM concentrations, also peaking at this ratio. Utilizing our developed method, three key hydroxyl-substituted intermediates that circumvent the previously reported “limiting-steps” in DCAN formation were identified. This reaction proceeds via a stepwise mechanism involving hydroxylation and chlorine substitution to produce hydroxyl-phenylacetonitrile and hydroxyl-chlorine-phenylacetonitrile. The conversion rate of hydroxyl-chlorine-phenylacetonitrile to DCAN was 8.6 times higher at Cl/NO3--N molar ratio of 15 compared to conditions without NO3-, attributed to the weakened bond strength of the side chain, as supported by density functional theory calculations. This study provides novel insights into the mechanistic pathways of DCAN and DCAM formation, critical for developing more effective drinking water disinfection technologies to control N-DBPs.
{"title":"Wane-and-wax mechanism of nitrogenous disinfection byproducts with constant Cl/N peak under UV/chlorine treatment: Implication for new drinking water disinfection strategy","authors":"Jinxiu Lou , Lu Yin , Feilong Dong , Zhanfei He , Huijie Lu , Shuangxi Fang , Xiangliang Pan","doi":"10.1016/j.watres.2024.122651","DOIUrl":"10.1016/j.watres.2024.122651","url":null,"abstract":"<div><div>Nitrogenous disinfection byproducts (N-DBPs) are notorious for their serious health risks, yet nitrate (NO<sub>3</sub><sup>-</sup>) mediates N-DBPs generation during UV/chlorine treatment remains unexplored. This study investigated the interaction of chlorine and NO<sub>3</sub><sup>-</sup> on N-DBPs formation and developed a specific fragment-based screening method using UPLC-QTOF-MS to explore the underlying mechanism. Results showed that the chlorine-to-nitrogen (Cl/NO<sub>3</sub><sup>-</sup>-N) molar ratio significantly affects dichloroacetonitrile (DCAN) and dichloroacetamide (DCAM) generation, with peak concentrations at a Cl/NO<sub>3</sub><sup>-</sup>-N molar ratio of around 15. NO<sub>3</sub><sup>-</sup> promotes the production of HO<sup>•</sup>, which positively correlates with DCAN and DCAM concentrations, also peaking at this ratio. Utilizing our developed method, three key hydroxyl-substituted intermediates that circumvent the previously reported “limiting-steps” in DCAN formation were identified. This reaction proceeds via a stepwise mechanism involving hydroxylation and chlorine substitution to produce hydroxyl-phenylacetonitrile and hydroxyl-chlorine-phenylacetonitrile. The conversion rate of hydroxyl-chlorine-phenylacetonitrile to DCAN was 8.6 times higher at Cl/NO<sub>3</sub><sup>-</sup>-N molar ratio of 15 compared to conditions without NO<sub>3</sub><sup>-</sup>, attributed to the weakened bond strength of the side chain, as supported by density functional theory calculations. This study provides novel insights into the mechanistic pathways of DCAN and DCAM formation, critical for developing more effective drinking water disinfection technologies to control N-DBPs.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"268 ","pages":"Article 122651"},"PeriodicalIF":11.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542638","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Pub Date : 2024-10-30DOI: 10.1016/j.watres.2024.122722
Tianyu Gao , Ying Li , Ke Dai , Fangang Meng
In natural or engineered anaerobic environments, iron oxidation-driven microbial denitrification plays a critical role in the water or wastewater treatment. Herein, we report a previously unidentified metallic iron (Fe0)-dependent denitrification mode driven by the electro-syntrophic interaction between electroactive microorganism and denitrifier. In a model denitrifying consortium of Shewanella oneidensis and Pseudomonas aeruginosa, we find that P. aeruginosa can accept electrons for nitrate reduction via the constructed electron transfer system of Fe0–S. oneidensis–P. aeruginosa. In the electro-syntrophic consortium, the membrane-bound CymA–OmcA–MtrC protein complexes of S. oneidensis drive the generation, transfer and consumption of electrons, thus enabling modulation of microbial metabolic activity. Specially, using Fe0 as the sole electron donor, S. oneidensis can act as a bio-engine to harvest electrons and conserve energy from Fe0 biocorrosion. Electrons released by S. oneidensis are utilized by P. aeruginosa for accomplishing microbial denitrification. Metatranscriptomics analysis demonstrated that the direct electron cross-feeding process facilitates the expression of genes encoding for denitrification enzymes, intracellular electron transfer proteins, and quorum sensing of P. aeruginosa. The Fe0-dependent electronic syntrophy in this work could provide a metabolic window for the growth of denitrifiers that is a new insight into nitrate removal or global nitrogen cycle.
{"title":"Electric syntrophy-driven modulation of Fe0-dependent microbial denitrification","authors":"Tianyu Gao , Ying Li , Ke Dai , Fangang Meng","doi":"10.1016/j.watres.2024.122722","DOIUrl":"10.1016/j.watres.2024.122722","url":null,"abstract":"<div><div>In natural or engineered anaerobic environments, iron oxidation-driven microbial denitrification plays a critical role in the water or wastewater treatment. Herein, we report a previously unidentified metallic iron (Fe<sup>0</sup>)-dependent denitrification mode driven by the electro-syntrophic interaction between electroactive microorganism and denitrifier. In a model denitrifying consortium of <em>Shewanella oneidensis</em> and <em>Pseudomonas aeruginosa</em>, we find that <em>P. aeruginosa</em> can accept electrons for nitrate reduction via the constructed electron transfer system of Fe<sup>0</sup>–<em>S. oneidensis</em>–<em>P. aeruginosa</em>. In the electro-syntrophic consortium, the membrane-bound CymA–OmcA–MtrC protein complexes of <em>S. oneidensis</em> drive the generation, transfer and consumption of electrons, thus enabling modulation of microbial metabolic activity. Specially, using Fe<sup>0</sup> as the sole electron donor, <em>S. oneidensis</em> can act as a bio-engine to harvest electrons and conserve energy from Fe<sup>0</sup> biocorrosion. Electrons released by <em>S. oneidensis</em> are utilized by <em>P. aeruginosa</em> for accomplishing microbial denitrification. Metatranscriptomics analysis demonstrated that the direct electron cross-feeding process facilitates the expression of genes encoding for denitrification enzymes, intracellular electron transfer proteins, and quorum sensing of <em>P. aeruginosa</em>. The Fe<sup>0</sup>-dependent electronic syntrophy in this work could provide a metabolic window for the growth of denitrifiers that is a new insight into nitrate removal or global nitrogen cycle.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"268 ","pages":"Article 122722"},"PeriodicalIF":11.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142541595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Pub Date : 2024-10-30DOI: 10.1016/j.watres.2024.122719
Hualiang Feng , Yani Lai , Xiaojun Wang , Zhaoji Zhang , Shaohua Chen
Lacustrine shale gas represents a promising frontier in the future development of shale gas resources. However, research on the characterization of lacustrine shale gas produced water (SGPW) remains scarce. In this study, we characterized the geochemical properties of both marine and lacustrine SGPW (MSGPW and LSGPW) and assessed their dissolved organic matter (DOM) components using fluorescence EEM spectroscopy. Additionally, we employed Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) to analyze halogenated organic compounds (HOCs) and non-HOCs in SGPW, as well as their transformations during storage in open impoundments. Pollutants in LSGPW generally had higher concentrations and greater fluctuations compared to those in MSGPW. Our findings from EEM spectroscopy and FT-ICR MS revealed that phenolic compounds may be important components of DOM in all SGPW. Moreover, the number of detected unique molecules in LSGPW was greater than in MSGPW. CHO or CHOS compounds dominated in non-HOCs, with LSGPW exhibiting generally higher DBE, modified aromaticity index (AImod), nominal oxidation state of carbon (NOSC), double bond equivalent minus oxygen per carbon ((DBE-O)/C) values, and lower H/C values compared to MSGPW, while unsaturated aliphatic compounds typically dominated in HOCs. Furthermore, we employed 37 transformation reactions that might occur during SGPW storage and found that oxygen addition and dealkyl group reactions were predominant, with these two types of reactions occurring more frequently in LSGPW than in MSGPW. LSGPW exhibited higher toxicity compared to MSGPW, with toxicity positively correlated with the concentrations of inorganic salts and organic substances with higher AImod, NOSC, and (DBE-O)/C. These findings contribute to a more comprehensive understanding of LSGPW, enabling the design and implementation of more rational disposal measures to effectively mitigate its potential environmental risks.
{"title":"Greater environmental risk of shale gas produced water from lacustrine than marine sources in Fuling shale gas field, China: Insights from inorganic compounds, dissolved organic matter, and halogenated organic compounds","authors":"Hualiang Feng , Yani Lai , Xiaojun Wang , Zhaoji Zhang , Shaohua Chen","doi":"10.1016/j.watres.2024.122719","DOIUrl":"10.1016/j.watres.2024.122719","url":null,"abstract":"<div><div>Lacustrine shale gas represents a promising frontier in the future development of shale gas resources. However, research on the characterization of lacustrine shale gas produced water (SGPW) remains scarce. In this study, we characterized the geochemical properties of both marine and lacustrine SGPW (MSGPW and LSGPW) and assessed their dissolved organic matter (DOM) components using fluorescence EEM spectroscopy. Additionally, we employed Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) to analyze halogenated organic compounds (HOCs) and non-HOCs in SGPW, as well as their transformations during storage in open impoundments. Pollutants in LSGPW generally had higher concentrations and greater fluctuations compared to those in MSGPW. Our findings from EEM spectroscopy and FT-ICR MS revealed that phenolic compounds may be important components of DOM in all SGPW. Moreover, the number of detected unique molecules in LSGPW was greater than in MSGPW. CHO or CHOS compounds dominated in non-HOCs, with LSGPW exhibiting generally higher DBE, modified aromaticity index (AI<sub>mod</sub>), nominal oxidation state of carbon (NOSC), double bond equivalent minus oxygen per carbon ((DBE-O)/C) values, and lower H/C values compared to MSGPW, while unsaturated aliphatic compounds typically dominated in HOCs. Furthermore, we employed 37 transformation reactions that might occur during SGPW storage and found that oxygen addition and dealkyl group reactions were predominant, with these two types of reactions occurring more frequently in LSGPW than in MSGPW. LSGPW exhibited higher toxicity compared to MSGPW, with toxicity positively correlated with the concentrations of inorganic salts and organic substances with higher AI<sub>mod</sub>, NOSC, and (DBE-O)/C. These findings contribute to a more comprehensive understanding of LSGPW, enabling the design and implementation of more rational disposal measures to effectively mitigate its potential environmental risks.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"268 ","pages":"Article 122719"},"PeriodicalIF":11.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142541849","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Pub Date : 2024-10-30DOI: 10.1016/j.watres.2024.122720
Shuangshuang Cheng , Rui Cui , Yangjian Zhou , Yu Lei , Ni Wang , Yanheng Pan , Xin Yang
Reactive halogen radicals (e.g., Cl2•- and Br2•-) greatly impact the degradation of micropollutants in natural waters and engineered water treatment systems. The ubiquitous dissolved organic matter (DOM) in real waters is known to greatly inhibit the degradation of micropollutants by reducing micropollutant's intermediate (i.e., TC•+/TC(-H)•), however, such DOM's effects on the halogen-radical-induced system have not been understood yet. The present study focuses on investigating and quantifying such inhibitory effects of DOM during Cl2•-- and Br2•--mediated process. Guanosine (Gs) was selected as a model compound. The transient spectra show that Cl2•- and Br2•- react with Gs generating intermediates (i.e., Gs•+/Gs(-H)•) via single-electron transfer. In the presence of 1.0 mgCL-1 DOM, over 70% of this oxidized Gs was reduced back to Gs. Comparing the extent of reverse-reduction inhibitory among different reaction systems, this inhibitory in Br2•- system was slightly lower than that in Cl2•- and SO4•- system, corresponding the slightly difference of inhibition factor (IF) values as SO4•- < Cl2•- < Br2•-. The reverse-reduction effect of DOM was further quantified for 19 common micropollutants. It varied significantly with IF values of 0.21–1.26 and 0.28–1.40 in Cl2•-- and Br2•--mediated process, respectively. Purines and amines generally exhibited more pronounced inhibition than phenols in both systems. A good correlation of IF values with micropollutant's reduction potential was observed, which can be applied to predict the degradation of more unstudied micropollutants. This study highlights the important role of the reverse-reduction effect of DOM on micropollutant degradation. It can significantly improve the accuracy in predicting degradation rate in advanced oxidation processes for treating water containing halides.
反应性卤素自由基（如 Cl2 和 Br2）对天然水体和工程水处理系统中的微污染物降解有很大影响。众所周知，实际水体中无处不在的溶解性有机物（DOM）会通过减少微污染物的中间产物（即 TC-+/TC(-H)-）来极大地抑制微污染物的降解，但这种 DOM 对卤素自由基诱导系统的影响尚未得到了解。本研究的重点是研究和量化 DOM 在 Cl2---和 Br2---介导过程中的抑制作用。研究选择鸟苷（Gs）作为模型化合物。瞬态光谱显示，Cl2---和 Br2---通过单电子转移与 Gs 反应生成中间产物（即 Gs-+/Gs(-H)-）。在 1.0 mgC L-1 DOM 的存在下，超过 70% 的氧化 Gs 被还原成 Gs。比较不同反应体系的反还原抑制程度，Br2--体系的抑制程度略低于Cl2--和SO4--体系，相应的抑制因子（IF）值也略有不同，分别为SO4-- < Cl2- < Br2--。对 19 种常见微污染物的 DOM 反还原效应进行了进一步量化。在 Cl2---和 Br2---介导的过程中，IF 值分别为 0.21-1.26 和 0.28-1.40，差异很大。在这两个系统中，嘌呤和胺的抑制作用通常比酚类更明显。观察到 IF 值与微污染物的还原电位有很好的相关性，可用于预测更多未经研究的微污染物的降解。这项研究强调了 DOM 的反向还原效应对微污染物降解的重要作用。它可以大大提高在处理含卤化物水的高级氧化过程中预测降解率的准确性。
{"title":"The reverse-reduction effect of dissolved organic matter on the degradation of micropollutants induced by halogen radicals (Cl2•- and Br2•-)","authors":"Shuangshuang Cheng , Rui Cui , Yangjian Zhou , Yu Lei , Ni Wang , Yanheng Pan , Xin Yang","doi":"10.1016/j.watres.2024.122720","DOIUrl":"10.1016/j.watres.2024.122720","url":null,"abstract":"<div><div>Reactive halogen radicals (e.g., Cl<sub>2</sub><sup>•-</sup> and Br<sub>2</sub><sup>•-</sup>) greatly impact the degradation of micropollutants in natural waters and engineered water treatment systems. The ubiquitous dissolved organic matter (DOM) in real waters is known to greatly inhibit the degradation of micropollutants by reducing micropollutant's intermediate (i.e., TC<sup>•+</sup>/TC(-H)<sup>•</sup>), however, such DOM's effects on the halogen-radical-induced system have not been understood yet. The present study focuses on investigating and quantifying such inhibitory effects of DOM during Cl<sub>2</sub><sup>•-</sup>- and Br<sub>2</sub><sup>•-</sup>-mediated process. Guanosine (Gs) was selected as a model compound. The transient spectra show that Cl<sub>2</sub><sup>•-</sup> and Br<sub>2</sub><sup>•-</sup> react with Gs generating intermediates (i.e., Gs<sup>•+</sup>/Gs(-H)<sup>•</sup>) via single-electron transfer. In the presence of 1.0 mg<sub>C</sub> <span>L</span><sup>-1</sup> DOM, over 70% of this oxidized Gs was reduced back to Gs. Comparing the extent of reverse-reduction inhibitory among different reaction systems, this inhibitory in Br<sub>2</sub><sup>•-</sup> system was slightly lower than that in Cl<sub>2</sub><sup>•-</sup> and SO<sub>4</sub><sup>•-</sup> system, corresponding the slightly difference of inhibition factor (IF) values as SO<sub>4</sub><sup>•-</sup> < Cl<sub>2</sub><sup>•-</sup> < Br<sub>2</sub><sup>•-</sup>. The reverse-reduction effect of DOM was further quantified for 19 common micropollutants. It varied significantly with IF values of 0.21–1.26 and 0.28–1.40 in Cl<sub>2</sub><sup>•-</sup>- and Br<sub>2</sub><sup>•-</sup>-mediated process, respectively. Purines and amines generally exhibited more pronounced inhibition than phenols in both systems. A good correlation of IF values with micropollutant's reduction potential was observed, which can be applied to predict the degradation of more unstudied micropollutants. This study highlights the important role of the reverse-reduction effect of DOM on micropollutant degradation. It can significantly improve the accuracy in predicting degradation rate in advanced oxidation processes for treating water containing halides.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"268 ","pages":"Article 122720"},"PeriodicalIF":11.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142541597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Pub Date : 2024-10-30DOI: 10.1016/j.watres.2024.122725
Baohai Zheng , Ling Zhou , Jinna Wang , Peichang Dong , Teng Zhao , Yuting Deng , Lirong Song , Junqiong Shi , Zhongxing Wu
Climate change and the trophic status of water bodies are important factors in global occurrence of cyanobacterial blooms. The aim of this study was to explore the cyanobacteria‒bacterial interactions that occur during Raphidiopsis raciborskii (R. raciborskii) blooms by conducting microcosm simulation experiments at different temperatures (20 °C and 30 °C) and with different phosphorus concentrations (0.01 mg/L and 1 mg/L) using an ecological model of microbial behavior and by analyzing microbial self-regulatory strategies using weighted gene coexpression network analysis (WGCNA). Three-way ANOVA revealed significant effects of temperature and phosphorus on the growth of R. raciborskii (P < 0.001). The results of a metagenomics-based analysis of bacterioplankton revealed that the synergistic effects of both climate and trophic changes increased the ability of R. raciborskii to compete with other cyanobacteria for dominance in the cyanobacterial community. The antagonistic effects of climate and nutrient changes favored the occurrence of R. raciborskii blooms, especially in eutrophic waters at approximately 20 °C. The species diversity and richness indices differed between the eutrophication treatment group at 20 °C and the other treatment groups. The symbiotic bacterioplankton network revealed the complexity and stability of the symbiotic bacterioplankton network during blooms and identified the roles of key species in the network. The study also revealed a complex pattern of interactions between cyanobacteria and non-cyanobacteria dominated by altruism, as well as the effects of different behavioral patterns on R. raciborskii bloom occurrence. Furthermore, this study revealed self-regulatory strategies that are used by microbes in response to the dual pressures of temperature and nutrient loading. These results provide important insights into the adaptation of microbial communities in freshwater ecosystems to environmental change and provide useful theoretical support for aquatic environmental management and ecological restoration efforts.
气候变化和水体的营养状况是全球蓝藻水华发生的重要因素。本研究的目的是利用微生物行为生态模型，在不同温度（20°C 和 30°C）和不同磷浓度（0.01 mg/L 和 1 mg/L）条件下进行微生态模拟实验，并利用加权基因共表达网络分析（WGCNA）分析微生物的自我调节策略，从而探索在 Raphidiopsis raciborskii（R. raciborskii）水华期间蓝藻与细菌之间的相互作用。三因子方差分析显示，温度和磷对 R. raciborskii 的生长有显著影响（P <0.001）。基于元基因组学的浮游细菌分析结果表明，气候和营养盐变化的协同效应增强了 R. raciborskii 与其他蓝藻竞争蓝藻群落优势地位的能力。气候和营养物质变化的拮抗作用有利于 R. raciborskii 藻华的发生，尤其是在约 20°C 的富营养化水域。物种多样性和丰富度指数在 20°C 富营养化处理组与其他处理组之间存在差异。共生浮游细菌网络揭示了水华期间共生浮游细菌网络的复杂性和稳定性，并确定了网络中关键物种的作用。研究还揭示了蓝藻与非蓝藻之间以利他主义为主导的复杂互动模式，以及不同行为模式对 R. raciborskii 藻华发生的影响。此外，这项研究还揭示了微生物在应对温度和营养负荷双重压力时所采用的自我调节策略。这些结果为淡水生态系统中微生物群落适应环境变化提供了重要见解，为水生环境管理和生态恢复工作提供了有益的理论支持。
{"title":"The shifts in microbial interactions and gene expression caused by temperature and nutrient loading influence Raphidiopsis raciborskii blooms","authors":"Baohai Zheng , Ling Zhou , Jinna Wang , Peichang Dong , Teng Zhao , Yuting Deng , Lirong Song , Junqiong Shi , Zhongxing Wu","doi":"10.1016/j.watres.2024.122725","DOIUrl":"10.1016/j.watres.2024.122725","url":null,"abstract":"<div><div>Climate change and the trophic status of water bodies are important factors in global occurrence of cyanobacterial blooms. The aim of this study was to explore the cyanobacteria‒bacterial interactions that occur during <em>Raphidiopsis raciborskii</em> (<em>R. raciborskii</em>) blooms by conducting microcosm simulation experiments at different temperatures (20 °C and 30 °C) and with different phosphorus concentrations (0.01 mg/L and 1 mg/L) using an ecological model of microbial behavior and by analyzing microbial self-regulatory strategies using weighted gene coexpression network analysis (WGCNA). Three-way ANOVA revealed significant effects of temperature and phosphorus on the growth of <em>R. raciborskii</em> (<em>P</em> < 0.001). The results of a metagenomics-based analysis of bacterioplankton revealed that the synergistic effects of both climate and trophic changes increased the ability of <em>R. raciborskii</em> to compete with other cyanobacteria for dominance in the cyanobacterial community. The antagonistic effects of climate and nutrient changes favored the occurrence of <em>R. raciborskii</em> blooms, especially in eutrophic waters at approximately 20 °C. The species diversity and richness indices differed between the eutrophication treatment group at 20 °C and the other treatment groups. The symbiotic bacterioplankton network revealed the complexity and stability of the symbiotic bacterioplankton network during blooms and identified the roles of key species in the network. The study also revealed a complex pattern of interactions between cyanobacteria and non-cyanobacteria dominated by altruism, as well as the effects of different behavioral patterns on <em>R. raciborskii</em> bloom occurrence. Furthermore, this study revealed self-regulatory strategies that are used by microbes in response to the dual pressures of temperature and nutrient loading. These results provide important insights into the adaptation of microbial communities in freshwater ecosystems to environmental change and provide useful theoretical support for aquatic environmental management and ecological restoration efforts.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"268 ","pages":"Article 122725"},"PeriodicalIF":11.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Pub Date : 2024-10-30DOI: 10.1016/j.watres.2024.122659
Xiaolang Zhang , Hailong Li , Xuejing Wang , Xingxing Kuang , Yan Zhang , Kai Xiao , Chao Xu
{"title":"Corrigendum to “A comprehensive analysis of submarine groundwater discharge and nutrient fluxes in the Bohai Sea, China”","authors":"Xiaolang Zhang , Hailong Li , Xuejing Wang , Xingxing Kuang , Yan Zhang , Kai Xiao , Chao Xu","doi":"10.1016/j.watres.2024.122659","DOIUrl":"10.1016/j.watres.2024.122659","url":null,"abstract":"","PeriodicalId":443,"journal":{"name":"Water Research","volume":"268 ","pages":"Article 122659"},"PeriodicalIF":11.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Pub Date : 2024-10-30DOI: 10.1016/j.watres.2024.122726
Anushka Mishrra , Lin Zhang , Janelle Junior , Fangqiong Ling , Nicole K. Blute , Daniel E. Giammar
In response to stresses on water demands, some regions augment conventional drinking water sources with alternative water supplies such as desalinated seawater and reclaimed wastewater. The advanced treatment of wastewater by reverse osmosis, microfiltration, and advanced oxidation processes can produce high quality water for potable uses. However, if not appropriately stabilized, the resulting water can be corrosive to metal-based distribution pipes and plumbing materials. We conducted long-term premise plumbing pipe loop experiments with copper pipes containing lead solder to test the impact of the introduction of advanced treated water on the water quality. Advanced treated water (ATW) originally at low pH (<7) and low alkalinity (<10 mg/L as CaCO3) was stabilized with a calcite contactor before being blended with baseline ground water (BLW). The effects of percentages of ATW on the release of lead and copper and on the changes in the microbial diversity were monitored. Experiments monitored metal release from pipes receiving (1) only BLW, (2) a series of blends of BLW and ATW that gradually increased from 25 % to 100 % ATW, and (3) an abrupt switch from BLW to 100 % ATW. Introducing 100 % ATW dramatically increased lead release and simultaneously decreased copper release. Pipe scale analysis showed that the introduction of ATW had destabilized sulfate-containing pipe scales, which exposed the copper pipe surface to galvanic corrosion. The dissolution of scale material was associated with a significant decrease in sulfate concentration in the 100 % ATW which was in agreement with theoretical solubility calculations. The impact of blending ATW on microbial diversity was studied via 16S rRNA gene amplicon sequencing. The composition of the microbial communities changed significantly after water was in contact with the copper pipes in experiments with both BLW and ATW. The type of water recirculating in the pipes affected the structure of the microbial community. The results from this study can be useful for water utilities that are considering potable reuse as they develop strategies to mitigate any adverse impacts of water quality changes.
{"title":"Impacts of blending advanced treated water and traditional groundwater supply on lead and copper concentrations and microbial diversity in premise plumbing","authors":"Anushka Mishrra , Lin Zhang , Janelle Junior , Fangqiong Ling , Nicole K. Blute , Daniel E. Giammar","doi":"10.1016/j.watres.2024.122726","DOIUrl":"10.1016/j.watres.2024.122726","url":null,"abstract":"<div><div>In response to stresses on water demands, some regions augment conventional drinking water sources with alternative water supplies such as desalinated seawater and reclaimed wastewater. The advanced treatment of wastewater by reverse osmosis, microfiltration, and advanced oxidation processes can produce high quality water for potable uses. However, if not appropriately stabilized, the resulting water can be corrosive to metal-based distribution pipes and plumbing materials. We conducted long-term premise plumbing pipe loop experiments with copper pipes containing lead solder to test the impact of the introduction of advanced treated water on the water quality. Advanced treated water (ATW) originally at low pH (<7) and low alkalinity (<10 mg/L as CaCO<sub>3</sub>) was stabilized with a calcite contactor before being blended with baseline ground water (BLW). The effects of percentages of ATW on the release of lead and copper and on the changes in the microbial diversity were monitored. Experiments monitored metal release from pipes receiving (1) only BLW, (2) a series of blends of BLW and ATW that gradually increased from 25 % to 100 % ATW, and (3) an abrupt switch from BLW to 100 % ATW. Introducing 100 % ATW dramatically increased lead release and simultaneously decreased copper release. Pipe scale analysis showed that the introduction of ATW had destabilized sulfate-containing pipe scales, which exposed the copper pipe surface to galvanic corrosion. The dissolution of scale material was associated with a significant decrease in sulfate concentration in the 100 % ATW which was in agreement with theoretical solubility calculations. The impact of blending ATW on microbial diversity was studied via 16S rRNA gene amplicon sequencing. The composition of the microbial communities changed significantly after water was in contact with the copper pipes in experiments with both BLW and ATW. The type of water recirculating in the pipes affected the structure of the microbial community. The results from this study can be useful for water utilities that are considering potable reuse as they develop strategies to mitigate any adverse impacts of water quality changes.</div></div>","PeriodicalId":443,"journal":{"name":"Water Research","volume":"268 ","pages":"Article 122726"},"PeriodicalIF":11.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142542048","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
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