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Fate, Transport, Removal and Modeling of Pollutants in Water

A special issue of Water (ISSN 2073-4441). This special issue belongs to the section "Wastewater Treatment and Reuse".

Deadline for manuscript submissions: closed (25 April 2025) | Viewed by 5756

Special Issue Editor


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Guest Editor
1. Department of Mechanical and Electrical Engineering, Wilkes University, Wilkes-Barre, PA 18766, USA
2. Department of Civil and Environmental Engineering, Wilkes University, Wilkes-Barre, PA 18766, USA
Interests: water quality; toxicity; nanomaterials; fluid dynamics; transport of pollutants; adaptation of contaminants on microorganisms; structures corrosion
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Special Issue Information

Dear Colleagues,

The scope of discussion of this Special Issue includes, but is not limited to, understanding the fate, transport, removal and modeling of traditional and emerging pollutants in water. Every day, a greater concentration of pollutants is found not only in water bodies but also in different compartments such as air and sediments. 

Natural and anthropogenic factors can lead to the reduction in clean drinking water supplies. For instance, long droughts, surges in annual rainfall and natural disasters impact the quality and availability of our water sources. On the other hand, the overexploitation of natural resources, the use of pesticides, the presence of chlorinated solvents, the lack of new regulations to address emerging pollutants, processes that are not sustainable for the environment and the lack of or incomplete life cycle analysis are examples of serious human-made threats for the current and coming generations. 

At this point, it is relevant to identify, understand and re-evaluate several of the important environmental effects of water pollutants on humans and ecosystems. In addition to developing recommendations, regulations and appropriate methodologies are required to identify, track and remediate concentrations of pollutants in water. This Special Issue will update the state of the art and partially fill the knowledge gap on these contaminants in water.

Dr. Nelson M. Anaya
Guest Editor

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Keywords

  • remediation
  • water quality
  • modeling
  • fate and transport
  • pollutants
  • emerging pollutants
  • contamination

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Published Papers (5 papers)

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Research

22 pages, 834 KiB  
Article
Toxicity of the Antiretrovirals Tenofovir Disoproxil Fumarate, Lamivudine, and Dolutegravir on Cyanobacterium Microcystis novacekii
by Gabriel Souza-Silva, Mariângela Domingos Alcantara, Cléssius Ribeiro de Souza, Carolina Paula de Souza Moreira, Kenia Pedrosa Nunes, Cíntia Aparecida de Jesus Pereira, Marcos Paulo Gomes Mol and Micheline Rosa Silveira
Water 2025, 17(6), 815; https://doi.org/10.3390/w17060815 - 12 Mar 2025
Viewed by 653
Abstract
Antiretrovirals (ARVs) have become one of the most prescribed groups of drugs, and these residues are found in the environment. Among them, the most widely used in HIV treatment are tenofovir (TDF), lamivudine (3TC), and dolutegravir (DTG). This study aimed to evaluate the [...] Read more.
Antiretrovirals (ARVs) have become one of the most prescribed groups of drugs, and these residues are found in the environment. Among them, the most widely used in HIV treatment are tenofovir (TDF), lamivudine (3TC), and dolutegravir (DTG). This study aimed to evaluate the toxicity of ARVs TDF, 3TC, and DTG on the cyanobacterium Microcystis novacekii and estimate their environmental risk. DTG showed the highest toxicity among the drugs tested, inhibiting cyanobacteria cell growth and metabolic activity at low concentrations. TDF and 3TC alone were less toxic, with more pronounced adverse effects in long time exposures at high concentrations. However, the combination of ARVs, especially TDF and 3TC, showed a synergistic effect, significantly increasing toxicity compared to the drugs alone. Excipients found in commercial formulations of ARVs, such as sodium lauryl sulfate, also influenced toxicity. Although DTG showed the highest risk to cyanobacteria, the environmental risk assessment indicated that TDF and 3TC, although less toxic to M. novacekii, may pose moderate-to-high environmental risks at typical environmental concentrations. These results reinforce the need for strict regulation and monitoring of the release of ARVs into the environment, and the development of effective treatments for removing these residues in sewage treatment plants. This study contributes to understanding the ecotoxicological impacts of ARVs and highlights the importance of long-term assessments to adequately estimate the environmental risks of ARVs and their commercial formulations. Full article
(This article belongs to the Special Issue Fate, Transport, Removal and Modeling of Pollutants in Water)
16 pages, 4383 KiB  
Article
The Effect of pH on Aniline Removal from Water Using Hydrophobic and Ion-Exchange Membranes
by Karla Filian, Jonathan I. Mendez-Ruiz, Daniel Garces, Kateryna Reveychuk, Lingshan Ma, Jesus R. Melendez, Claudia Díaz-Mendoza, Emile Cornelissen, Priscila E. Valverde-Armas and Leo Gutierrez
Water 2025, 17(4), 547; https://doi.org/10.3390/w17040547 - 14 Feb 2025
Viewed by 1324
Abstract
The presence of aniline, a toxic aromatic amine, has been recorded in different industrial wastewaters. This study aims to investigate the transport of charged and neutral aniline species in aqueous solutions through hydrophobic and ion-exchange membranes (IEMs). Hydrophobic polyoctylmethylsiloxane (POMS) and polydimethylsiloxane (PDMS) [...] Read more.
The presence of aniline, a toxic aromatic amine, has been recorded in different industrial wastewaters. This study aims to investigate the transport of charged and neutral aniline species in aqueous solutions through hydrophobic and ion-exchange membranes (IEMs). Hydrophobic polyoctylmethylsiloxane (POMS) and polydimethylsiloxane (PDMS) membranes and cationic (CEMs) and anionic (AEMs) exchange membranes were tested using diffusion cells and electrodialysis (ED). Diffusion experiments showed that neutral aniline removal reached 90% with POMS and 100% with PDMS due to the concentration gradient between feed (pH = 10) and receiving (pH = 3) solutions. For IEMs, neutral aniline exhibited a faster transport than charged species, with neutral-to-charged transport ratios of 6.6:1 for AEMs and 3.2:1 for CEMs, type I. During ED experiments, an external electric potential increased the charged aniline transport, achieving higher initial fluxes (124.7 mmol·m2·h1 at pH 4) compared to neutral aniline (43.6 and 53.2 mmol·m2·h1 for AEMs and CEMs, type I). ED also demonstrated that charged aniline can be removed up to 97% using IEMs. These findings demonstrate the effectiveness of hydrophobic and IEMs in removing aniline, providing insights into its transport mechanism, contributing to the optimization of membrane technologies in treating industrial wastewater effluents, and environmental sustainability. Full article
(This article belongs to the Special Issue Fate, Transport, Removal and Modeling of Pollutants in Water)
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18 pages, 4906 KiB  
Article
Peroxydisulfate Persistence in ISCO for Groundwater Remediation: Temperature Dependence, Batch/Column Comparison, and Sulfate Fate
by Lenka McGachy, Radek Škarohlíd, Richard Kostrakiewicz, Karel Kühnl, Pavlína Těšínská, Barbora Müllerová, Marek Šír and Marek Martinec
Water 2024, 16(24), 3552; https://doi.org/10.3390/w16243552 - 10 Dec 2024
Viewed by 726
Abstract
The persistence of peroxydisulfate anion (S2O82−) in soil is a key factor influencing the effectiveness of in situ chemical oxidation (ISCO) treatments, which use S2O82− (S2O82− based ISCO) [...] Read more.
The persistence of peroxydisulfate anion (S2O82−) in soil is a key factor influencing the effectiveness of in situ chemical oxidation (ISCO) treatments, which use S2O82− (S2O82− based ISCO) to remediate contaminated groundwater. However, only a few studies have addressed aspects of S2O82− persistence, such as the effect of temperature and the fate of sulfates (SO42−) generated by S2O82− decomposition in real soil and/or aquifer materials. Additionally, there are no studies comparing batch and dynamic column tests. To address these knowledge gaps, we conducted batch tests with varying temperatures (30–50 °C) and initial S2O82− concentrations (2.7 g/L and 16.1 g/L) along with dynamic column experiments (40 °C, 16.1 g/L) with comprehensively characterized real soil/aquifer materials. Furthermore, the principal component analysis (PCA) method was employed to investigate correlations between S2O82− decomposition and soil material parameters. We found that S2O82− decomposition followed the pseudo-first-order rate law in all experiments. In all tested soil materials, thermal dependence of S2O82− decomposition followed the Arrhenius law with the activation energies in the interval 65.2–109.1 kJ/mol. Decreasing S2O82− concentration from 16.1 g/L to 2.7 g/L led to a several-fold increase (factor 2–11) in bulk S2O82− decomposition rate coefficients (k′) in individual soil/aquifer materials. Although k′ in the dynamic column tests showed higher values compared to the batch tests (factor 1–3), the normalized S2O82− decomposition rate coefficients to the total BET surface were much lower, indicating the inevitable formation of preferential pathways in the columns. Furthermore, mass balance analysis of S2O82− decomposition and SO42− generation suggests the ability of some systems to partially accumulate the produced SO42−. Principal Component Analysis (PCA) identified total organic carbon (TOC), Ni, Mo, Co, and Mn as key factors influencing the decomposition rate under varying soil conditions. These findings provide valuable insights into how S2O82− behaves in real soil and aquifer materials, which can improve the design and operation of ISCO treatability studies for groundwater remediation. Full article
(This article belongs to the Special Issue Fate, Transport, Removal and Modeling of Pollutants in Water)
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16 pages, 3069 KiB  
Article
Source-Oriented Health Risks and Distribution of BTEXS in Urban Shallow Lake Sediment: Application of the Positive Matrix Factorization Model
by Ivana Trajković, Milica Sentić, Jelena Vesković, Milica Lučić, Andrijana Miletić and Antonije Onjia
Water 2024, 16(16), 2302; https://doi.org/10.3390/w16162302 - 15 Aug 2024
Cited by 3 | Viewed by 1182
Abstract
The degradation of sediments in urban environments worldwide is driven by population growth, urbanization, and industrialization, highlighting the need for thorough quality assessment and management strategies. As a result of these anthropogenic activities, benzene, toluene, ethylbenzene, xylenes, and styrene (BTEXS) are persistently released [...] Read more.
The degradation of sediments in urban environments worldwide is driven by population growth, urbanization, and industrialization, highlighting the need for thorough quality assessment and management strategies. As a result of these anthropogenic activities, benzene, toluene, ethylbenzene, xylenes, and styrene (BTEXS) are persistently released into the environment, polluting sediment. This study employed self-organizing maps (SOMs), positive matrix factorization (PMF), and Monte Carlo simulation of source-oriented health risks to comprehensively investigate sediment in an urban shallow lake in a mid-sized city in central Serbia. The results indicated a mean ∑BTEXS concentration of 225 µg/kg, with toluene as the dominant congener, followed by m,p-xylene, benzene, ethylbenzene, o-xylene, and styrene. Three contamination sources were identified: waste solvents and plastic waste due to intensive recreational activities, and vehicle exhaust from heavy traffic surrounding the lake. Both non-carcinogenic and carcinogenic health risks were below the permissible limits. However, children were more susceptible to health risks. Benzene from vehicle exhaust is the most responsible for non-carcinogenic and carcinogenic health risks in both population groups. The results of this study can help researchers to find a suitable perspective on the dynamics and impacts of BTEXS in lake sediments. Full article
(This article belongs to the Special Issue Fate, Transport, Removal and Modeling of Pollutants in Water)
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11 pages, 1123 KiB  
Article
Enhancing Point-of-Use Sand Filters through Integration of Copper Mesh
by Varun K. Kasaraneni, Nelson M. Anaya and Maria Taliani
Water 2024, 16(15), 2188; https://doi.org/10.3390/w16152188 - 1 Aug 2024
Cited by 1 | Viewed by 1315
Abstract
Ensuring access to safe drinking water remains a crucial global challenge, particularly in low-income and developing regions. Point-of-use (POU) sand filters, known for their affordability and efficiency, hold promise for improving water quality. This study explores the use of copper mesh (M-Cu) as [...] Read more.
Ensuring access to safe drinking water remains a crucial global challenge, particularly in low-income and developing regions. Point-of-use (POU) sand filters, known for their affordability and efficiency, hold promise for improving water quality. This study explores the use of copper mesh (M-Cu) as a disinfectant in sand filters, focusing on its effectiveness against Escherichia coli (E. coli). Through a series of experiments—kinetic, batch, and column—we investigated the impact of M-Cu on bacterial inactivation. Our findings reveal that the contact time between the M-Cu and bacteria is more critical than the M-Cu mass for achieving significant microbial reduction. Specifically, 1.0 g of M-Cu can substantially reduce E. coli levels, achieving log removal values (LRVs) between 2.03 and 4.81 after 30 min of exposure, across initial bacterial concentrations ranging from 102 to 106 CFU/100 mL. For sand filter testing under dynamic conditions, columns containing 1.0 g of M-Cu achieved a 3.1 LRV, significantly outperforming control columns, which only achieved a 0.6 LRV. These results support the integration of M-Cu into sand filters as a viable strategy for enhancing microbial safety in water treatment, potentially reducing waterborne disease incidence in vulnerable populations. Full article
(This article belongs to the Special Issue Fate, Transport, Removal and Modeling of Pollutants in Water)
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