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Advances in Contaminant Transport in Porous Media: Mechanisms, Remediation, and Numerical Simulation

A special issue of Water (ISSN 2073-4441). This special issue belongs to the section "Water Quality and Contamination".

Deadline for manuscript submissions: 20 April 2026 | Viewed by 692

Special Issue Editor

Guangdong Provincial Research Center for Environment Pollution Control and Remediation Materials, Engineering Research Center of Tropical and Subtropical Aquatic Ecological Engineering, Ministry of Education, College of Life Science and Technology, Jinan University, Guangzhou 510632, China
Interests: groundwater contamination; microplastic transport; porous media; environmental remediation; numerical modeling; nanoparticle migration; surface chemistry; con-taminant fate; multiphase flow; water resource management

Special Issue Information

Dear Colleagues,

The transport of contaminants through porous media plays a crucial role in the understanding and management of groundwater contamination, environmental remediation, and water resource management. As contamination of water resources due to industrial activities, agricultural runoff, and urbanization continues to increase, the need for effective strategies to predict, mitigate, and remediate these contaminants is more pressing than ever. This Special Issue is dedicated to advancing our understanding of the mechanisms of contaminant transport, effective remediation technologies, and the application of numerical simulation models to predict contaminant behavior in porous media.

Our aim is to provide an interdisciplinary platform for the latest research on the transport of contaminants, including emerging contaminants, through subsurface environments such as soils, aquifers, and sediments. Contributions are invited that explore new insights into contaminant behavior at various scales, from molecular interactions to large-scale flow dynamics. Topics of interest include, but are not limited to, the following:

  • Mechanisms of contaminant transport in porous media, including diffusion, advection, and dispersion;
  • The influence of aquifer and soil properties on contaminant migration and retention;
  • Remediation strategies for contaminated porous media, such as bioremediation, phytoremediation, and advanced chemical treatments;
  • Numerical simulation techniques for modeling contaminant transport, fate, and remediation processes;
  • Emerging contaminants (e.g., microplastics, antibiotics) and their behavior in soil–groundwater systems;
  • Nanotechnology applications in the removal and immobilization of contaminants;
  • The impact of climate change on the transport and fate of contaminants in groundwater;
  • Case studies on real-world contamination and remediation efforts in subsurface environments.

This Special Issue aims to foster collaboration among researchers and practitioners to develop innovative solutions for the mitigation of contamination in soil–groundwater systems.

I look forward to your contributions to this important field.

Dr. Ming Wu
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Water is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • groundwater contamination
  • emerging contaminants
  • transport
  • remediation
  • numerical simulation
  • adsorption

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Published Papers (1 paper)

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Research

19 pages, 4228 KB  
Article
Complex Effects of Functional Groups on the Cotransport Behavior of Functionalized Fe3O4 Magnetic Nanospheres and Tetracycline in Porous Media
by Yiqun Cui, Ming Wu, Meng Chen and Yanru Hao
Water 2025, 17(19), 2889; https://doi.org/10.3390/w17192889 - 4 Oct 2025
Viewed by 421
Abstract
In this study, four types of Fe3O4-based magnetic nanospheres were functionalized with distinct surface groups to examine how surface chemistry influences their co-transport with tetracycline (TC) in porous media. The functional groups investigated are carboxyl (−COOH), epoxy (−EPOXY), silanol [...] Read more.
In this study, four types of Fe3O4-based magnetic nanospheres were functionalized with distinct surface groups to examine how surface chemistry influences their co-transport with tetracycline (TC) in porous media. The functional groups investigated are carboxyl (−COOH), epoxy (−EPOXY), silanol (−SiOH), and amino (−NH2). Particles bearing −COOH, −EPOXY, or −SiOH are negatively charged, facilitating their transport through porous media, whereas −NH2-modified particles acquire a positive charge, leading to strong electrostatic attraction to the negatively charged TC and quartz sand, and consequently substantial retention with reduced mobility. Adsorption of TC onto Fe3O4-MNPs is predominantly chemisorptive, driven by ligand exchange and the formation of coordination complexes between the ionizable carboxyl and amino groups of TC and the surface hydroxyls of Fe3O4-MNPs. Additional contributions arise from electrostatic interactions, hydrogen bonding, hydrophobic effects, and cation–π interactions. Moreover, the carboxylate moiety of TC can coordinate to surface Fe centers via its oxygen atoms. Molecular dynamics simulations reveal a hierarchy of adsorption energies for TC on the differently modified surfaces: Fe3O4-NH2 > Fe3O4-EPOXY > Fe3O4-COOH > Fe3O4-SiOH, consistent with experimental findings. The results underscore that tailoring the surface properties of engineered nanoparticles substantially modulates their environmental fate and interactions, offering insights into the potential ecological risks associated with these nanomaterials. Full article
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