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Processes
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Design and Numerical Simulation of Photo- and Electrochemical Degradation of...
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Design and Numerical Simulation of Photo- and Electrochemical Degradation of Pollutants

A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Chemical Processes and Systems".

Deadline for manuscript submissions: 31 October 2025 | Viewed by 2621

Special Issue Editors

Prof. Dr. Alejandro Regalado-Méndez

E-Mail Website
Guest Editor
Research Laboratories, Universidad del Mar, Campus Puerto Ángel, Puerto Ángel 70902, Oaxaca, Mexico
Interests: design of new reactor configurations for the electrochemical degradation of pollutants; modeling and numerical simulation of the photo- and electrochemical degradation of pollutants; numerical optimization of the photo- and electrochemical degradation of pollutants; prediction of environmental impacts through lifecycle analysis
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Ever Peralta Reyes

E-Mail Website
Guest Editor
Research Laboratory, Universidad del Mar, Campus Puerto Ángel, Puerto Ángel 70902, Oaxaca, México
Interests: design of new reactor configurations for electrochemical degradation of pollutants; modeling and numerical simulation electrochemical degradation of pollutants; numerical optimization electrochemical degradation of pollutants

Special Issue Information

Dear Colleagues,

The modeling, simulation, and numerical optimization of photo- and electrochemical processes are critical research areas because of the growing need for effective, environmentally friendly, safe, and sustainable wastewater treatment methods. These powerful tools can efficiently design, optimize, and scale-up new technologies to promote water and sanitation cleanliness.

This Special Issue will present novel reactor design and assessment configurations, as well as the modeling, simulation, and numerical optimization of pollutant photo- and electrochemical degradation. It will also cover mathematical modeling and simulation tools that help predict and optimize environmental reaction conditions. Therefore, this Special Issue is welcoming original research and review articles related to the following areas of the photo- and electrochemical degradation of pollutants:

  • Mathematical modeling development;
  • Numerical solutions;
  • Numerical optimization, such as response surface methodology and convex and non-convex optimization;
  • CFD simulations;
  • Linear and non-linear control.

We hope that this Special Issue will provide new and valuable insights into these powerful tools.

Prof. Dr. Alejandro Regalado-Méndez
Prof. Dr. Ever Peralta Reyes
Guest Editors

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. Processes is an international peer-reviewed open access monthly 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 2400 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

  • design of photo- and electrochemical reactors
  • numerical solution
  • mathematical modeling
  • numerical optimization
  • pollutants
  • process control

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (3 papers)

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Research

31 pages, 17819 KiB  
Article
Emerging Pollutant Removal (Sunscreens) Through Advanced Oxidation Processes
by Sabrina Ayala Bueno, Patricia Balderas-Hernández, Gabriela Roa-Morales and Jorge G. Ibanez
Processes 2025, 13(5), 1468; https://doi.org/10.3390/pr13051468 - 11 May 2025
Viewed by 351
Abstract
Sunscreens are a major environmental concern because they are continually used and contain some of the most toxic compounds found in wastewater. The removal of sunscreen Types A and B was evaluated separately by modeling the effects of domestic waste-containing sunscreens. Different methods, [...] Read more.
Sunscreens are a major environmental concern because they are continually used and contain some of the most toxic compounds found in wastewater. The removal of sunscreen Types A and B was evaluated separately by modeling the effects of domestic waste-containing sunscreens. Different methods, such as electrocoagulation (EC), electro-oxidation (EO), ozonation (O3), and a combined electrooxidation-ozonation method (EO-O3), were analyzed based on the TOC and COD. All treatment methods exhibited high efficiency in degrading Type B sunscreen solutions. For Type A treatment, the best methods involved the use of ozone, with efficiencies of up to ~99% removal for Type B sunscreen and ~81% for Type A sunscreen. Overall, the best treatment method was the combined EO-O3 (99.1% removal for Type B and 88.8% for Type A). EO-O3 treatment was applied to pool water samples, achieving a COD removal of 79.5% after 15 min of treatment. Bioassays were performed using organic sativa common lettuce seeds to demonstrate the toxicity of the treated sunscreen-contaminated water before and after treatment. This paper offers promising results for a sustainable method of sunscreen removal, evaluating complete formulas rather than isolated UV filters. Full article
(This article belongs to the Special Issue Design and Numerical Simulation of Photo- and Electrochemical Degradation of Pollutants)
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21 pages, 5046 KiB  
Article
Samarium-Doped PbO2 Electrocatalysts for Environmental and Energy Applications: Theoretical Insight into the Mechanisms of Action Underlying Their Carbendazim Degradation and OER Properties
by Milica Kaluđerović, Slađana Savić, Danica Bajuk-Bogdanović, Aleksandar Z. Jovanović, Lazar Rakočević, Filip Vlahović, Jadranka Milikić and Dalibor Stanković
Processes 2025, 13(5), 1459; https://doi.org/10.3390/pr13051459 - 10 May 2025
Viewed by 525
Abstract
This study presents the fabrication of a samarium-doped Ti/Sb-SnO2/PbO2 electrode and investigates its applications in polluted water treatment and energy conversion. Physicochemical properties were characterized by scanning electron microscopy with energy-dispersive X-ray spectroscopy, X-ray powder diffraction analysis, and Raman spectroscopy. [...] Read more.
This study presents the fabrication of a samarium-doped Ti/Sb-SnO2/PbO2 electrode and investigates its applications in polluted water treatment and energy conversion. Physicochemical properties were characterized by scanning electron microscopy with energy-dispersive X-ray spectroscopy, X-ray powder diffraction analysis, and Raman spectroscopy. The Ti/Sb-SnO2/Sm-PbO2 electrode showed 2.5 times higher oxygen evolution potential activity than the Ti/Sb-SnO2/PbO2 electrode. Density Functional Theory was used to conduct first-principles calculations, and the obtained results indicated that Sm doping enhances the production of reactive oxygen species. The application of the Ti/Sb-SnO2/Sm-PbO2 electrode in carbendazim (CBZ) removal was investigated, since CBZ is a fungicide whose presence in the environment, including food, water, and soil, poses a threat. After 60 min of the treatment under optimized working parameters, the degradation rate of CBZ reached 94.2% in the presence of 7.2 g/L Na2SO4 with an applied current density of 10 mA/cm2 in an acidic medium (pH 4). Of the four investigated parameters, the current density had the most significant influence on the degradation process. At the same time, the initial pH value of the solution was shown to have the least impact on degradation efficiency. These results imply a potential use of the proposed treatment for CBZ removal from wastewater. Full article
(This article belongs to the Special Issue Design and Numerical Simulation of Photo- and Electrochemical Degradation of Pollutants)
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15 pages, 4857 KiB  
Article
Modeling and Optimization of p-Benzoquinone Degradation via Flow-By Electro-Oxidation on Boron-Doped Diamond Electrodes
by Ever Peralta-Reyes, Alejandro Regalado-Méndez, Frida A. Robles, Carlos Méndez-Durazno and Patricio J. Espinoza-Montero
Processes 2025, 13(4), 942; https://doi.org/10.3390/pr13040942 - 22 Mar 2025
Viewed by 853
Abstract
The electro-oxidation of p-Benzoquinone (p-BQ) was investigated in a flow-by reactor (FM01-LC) without separation, with two boron-doped diamond (BDD) electrodes as both the anode and cathode, in batch recirculation mode. The optimal operating conditions were determined using response surface methodology, [...] Read more.
The electro-oxidation of p-Benzoquinone (p-BQ) was investigated in a flow-by reactor (FM01-LC) without separation, with two boron-doped diamond (BDD) electrodes as both the anode and cathode, in batch recirculation mode. The optimal operating conditions were determined using response surface methodology, specifically a face-centered central composite design. The initial pH (pH₀) and applied current density (j) were evaluated as factors, while the p-BQ (η (%)) served as the response variable. The optimal conditions, a pH0 of 6.52 and a j of 0.124 A/cm2, achieved a maximum removal efficiency of 97.32% after 5 h of electrolysis. The specific energy consumption and total operating cost were 127.854 kWh/m3 and USD 3.7 USD/L, respectively. Full article
(This article belongs to the Special Issue Design and Numerical Simulation of Photo- and Electrochemical Degradation of Pollutants)
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