Journal Description
ChemEngineering
ChemEngineering
is an international, peer-reviewed, open access journal on the science and technology of chemical engineering, published monthly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, ESCI (Web of Science), Inspec, CAPlus / SciFinder, and other databases.
- Journal Rank: JCR - Q2 (Engineering, Chemical) / CiteScore - Q1 (General Engineering )
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 32.8 days after submission; acceptance to publication is undertaken in 6.6 days (median values for papers published in this journal in the second half of 2025).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
Impact Factor:
3.4 (2024);
5-Year Impact Factor:
3.1 (2024)
Latest Articles
Catalytic Activity of Multi-Boron-Doped Graphene from First Principles
ChemEngineering 2026, 10(3), 42; https://doi.org/10.3390/chemengineering10030042 - 17 Mar 2026
Abstract
Metal-free electrodes are essential to promote electrochemical reactions, the core of sustainable energy resources. In search of better carbon-based electrode materials, we have explored several spatial arrangements of boron (B) within proximity in the graphene lattice, as evident in recent experimental observations. Multi-boron
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Metal-free electrodes are essential to promote electrochemical reactions, the core of sustainable energy resources. In search of better carbon-based electrode materials, we have explored several spatial arrangements of boron (B) within proximity in the graphene lattice, as evident in recent experimental observations. Multi-boron substitution enriches sites by tuning electronic structure and strengthens binding of key intermediates of oxygen reduction, oxygen evolution, and hydrogen evolution reactions facilitating electrocatalytic performance. Our optimal B-doped site shows near thermo-neutral H adsorption ( ∼ ), consistent with experiments. The overpotentials are highly sensitive to the dopant motifs and the spread among configurations shows that experimentally accessible multi-B doping can serve as a practical active site engineering knob to achieve optimized multi-functional performance. In parallel, we find that specific multi-B configurations selectively capture and pre-activate NOx (NO/NO2) under ambient conditions while retaining weak affinity for NH3. These sites also interact with SO2 and related hazardous species, enabling selective air filtration and targeted NOx control within the electrocatalytic scope of this study.
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(This article belongs to the Special Issue Development of Devices for Electrochemical Energy Storage and Generation)
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Open AccessArticle
Particle Swarm Optimization of Pressure Swing Adsorption for Hydrogen Purification from Depleted Gas Fields
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Viktor Kalman and Michael Harasek
ChemEngineering 2026, 10(3), 41; https://doi.org/10.3390/chemengineering10030041 - 13 Mar 2026
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Pressure swing adsorption (PSA) is a viable method for separating hydrogen from gas mixtures, an important aspect of long-term hydrogen storage in depleted gas fields. This study explores optimizing a 12-step PSA process for recovering high-purity hydrogen from varying compositions of hydrogen–methane mixtures,
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Pressure swing adsorption (PSA) is a viable method for separating hydrogen from gas mixtures, an important aspect of long-term hydrogen storage in depleted gas fields. This study explores optimizing a 12-step PSA process for recovering high-purity hydrogen from varying compositions of hydrogen–methane mixtures, simulating the conditions likely encountered during hydrogen storage and recovery. Step-time optimization was performed on four different hydrogen–methane mixtures using the toPSAil simulation package—an open-source dynamic PSA simulator developed by researchers at the Georgia Institute of Technology—integrated with a particle swarm optimization (PSO) algorithm. The goal was to develop an optimization framework that can reliably identify PSA step times for different operating scenarios and satisfy specified purity and recovery constraints under fluctuating wellhead feed conditions. The optimization converged within 25–30 iterations, even in high-contaminant, low-pressure scenarios, where PSA performance is traditionally weak. The product purity in the optimized cycles was above 99.1% with more than 80% recovery for all cases, while fuel cell quality (99.7%) hydrogen was achieved in two out of the four scenarios. The purge-to-feed ratio of the best-performing cycles was between 0.07 and 0.32. These findings show the potential of the proposed approach in overcoming the difficulty of designing PSA cycles for non-constant gas compositions and achieving a hydrogen purification process suitable for variable feed conditions. The workflow generates a large synthetic dataset that can support surrogate or hybrid modeling. The results can help advance research in other gas separation areas with non-constant conditions, like flue gas or biogas purification.
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Open AccessReview
Application, Challenges and Perspectives of Catalysts Applied in Power-to-X Technology to Produce Hydrogen-Derived Vectors for Energy Transition
by
María Lorena Malagón-Quinto, Hilda Elizabeth Reynel-Ávila, Didilia Ileana Mendoza-Castillo, Adrián Bonilla-Petriciolet, Norma Aurea Rangel-Vázquez, Gloria Sandoval-Flores and Sarah Essam
ChemEngineering 2026, 10(3), 40; https://doi.org/10.3390/chemengineering10030040 - 12 Mar 2026
Abstract
This review analyzes the catalytic routes for the Power-to-X (PtX) conversion of hydrogen to methane, methanol, ammonia, formic acid, and synthetic hydrocarbon fuels. The key reactive synthesis technologies and catalysts for each vector are described. Recent studies and pilot projects summarizing the reaction
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This review analyzes the catalytic routes for the Power-to-X (PtX) conversion of hydrogen to methane, methanol, ammonia, formic acid, and synthetic hydrocarbon fuels. The key reactive synthesis technologies and catalysts for each vector are described. Recent studies and pilot projects summarizing the reaction pathways of each vector and the associated catalyst technologies are also discussed. The analysis indicates that catalyst selection critically influences the efficiency and selectivity of these reactive systems. Some catalyst synthesis routes rely on expensive critical minerals (e.g., Ru and Rh), which raise technical and economic challenges for their industrial application. Catalyst deactivation and scale-up limitations are also relevant issues to be resolved. Emerging catalysts (e.g., Fe–Co or Co–Ni bimetallics, core–shell materials, metal-organic frameworks (MOFs), electrides, covalent-organic frameworks (COFs), and perovskites) are being explored to enhance stability, selectivity, and deactivation. Europe leads PtX development to consolidate the industrial production of hydrogen-based vectors with strong policy support, while the industrial initiatives in Latin America are limited (for instance, Chile’s green methanol and ammonia projects are examples) despite its great potential to generate renewable energy. In summary, Power-to-X can store renewable energy and close the carbon loop; however, its industrial consolidation demands catalyst innovation and supportive regulatory frameworks to overcome the challenges highlighted in this review.
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(This article belongs to the Special Issue Advances in Renewable Energy Derivatives)
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Numerical Study on the Staged SCR Catalyst for Marine Exhaust After-Treatment
by
Kyungbin Park, Hyeonseok Im, Gyu Ryeol Baek and Mino Woo
ChemEngineering 2026, 10(3), 39; https://doi.org/10.3390/chemengineering10030039 - 9 Mar 2026
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This study numerically investigates the NO removal performance of a staged catalyst substrate employed in an industrial marine after-treatment system. The computational domain is based on the lab-scale experimental device used for measuring pressure drop, serving as a digital twin to accurately reproduce
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This study numerically investigates the NO removal performance of a staged catalyst substrate employed in an industrial marine after-treatment system. The computational domain is based on the lab-scale experimental device used for measuring pressure drop, serving as a digital twin to accurately reproduce the staged catalyst configuration prior to its application in full-scale industrial reactors. Experiments were conducted to estimate the parameters for a porous model, employed for efficient computation of flow and reactive mass transfer inside the catalyst substrate without needing a complex computational mesh of the monolith structure. A reaction mechanism from the literature was modified and verified for marine SCR reactors. The three-dimensional numerical simulations in this study indicate that the NO removal in the staged catalyst substrate varies depending on the catalyst configuration, primarily due to differences in the upstream flow uniformity. This study demonstrates that relocating a single catalyst substrate to the downstream position improved conversion by 6.5 percentage points, while a two-stage catalyst configuration yielded a 15.5 percentage-point increase under identical exhaust conditions. In addition, the residence time exhibited significant variations depending on the catalyst arrangement and inlet velocity, highlighting it as a critical parameter governing NO reduction performance. The findings in the present study can serve as a reference for future analyses conducted under practical conditions in industrial-scale marine SCR systems.
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Sequential Anaerobic–Aerobic Treatment of Paint Wastewater: Performance and LC–MS Pollutant Transformation
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E. S. Manju and Basavaraju Manu
ChemEngineering 2026, 10(3), 38; https://doi.org/10.3390/chemengineering10030038 - 5 Mar 2026
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Paint manufacturing wastewater contains complex mixtures of solvents, resins, surfactants, pigments, and polymeric additives that result in high chemical oxygen demand (COD), toxicity, and poor biodegradability. Conventional physicochemical treatment provides limited removal of dissolved organics, and the pollutant-level behavior of paint effluents during
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Paint manufacturing wastewater contains complex mixtures of solvents, resins, surfactants, pigments, and polymeric additives that result in high chemical oxygen demand (COD), toxicity, and poor biodegradability. Conventional physicochemical treatment provides limited removal of dissolved organics, and the pollutant-level behavior of paint effluents during biological treatment remains insufficiently characterized. This study addresses this gap by evaluating a sequential anaerobic–aerobic batch process treating three distinct synthetic paint wastewater samples. This study is a comparative investigation of sequential biological treatment across multiple paint wastewater variants, combined with high-resolution LC–MS to track compound-level transformations. Treatment performance was assessed through COD removal, biogas generation, pH and redox behavior, and LC–MS profiling of organic contaminants. The anaerobic stage achieved 70–95% COD removal depending on wastewater type. Aerobic polishing increased overall removal efficiencies, while PWW3 exhibited reduced stability during extended operation. LC–MS analysis showed substantial decreases in the number and intensity of chromatographic peaks and demonstrated degradation of phthalates, glycol ethers, organophosphate plasticizers, and solvent-derived compounds. The study provides integrated performance- and pollutant-level assessment of sequential anaerobic–aerobic treatment of paint wastewater and demonstrates the influences of wastewater heterogeneity in biological degradation pathways.
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Investigation on the Influence of Chemical Compounds in the Failure Mechanism Puncture Zones in Reinforced Rubber
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Vasile Gheorghe, Dan Cristian Cuculea and Eliza Chircan
ChemEngineering 2026, 10(3), 37; https://doi.org/10.3390/chemengineering10030037 - 4 Mar 2026
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This study investigates the fatigue failure of fiber-reinforced rubber used in automotive shock-absorbing elements subjected to cyclic loads. A quantitative simulation model integrated with material analysis to predict the service life and performance decay of these viscoelastic dampers was introduced. Failure is governed
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This study investigates the fatigue failure of fiber-reinforced rubber used in automotive shock-absorbing elements subjected to cyclic loads. A quantitative simulation model integrated with material analysis to predict the service life and performance decay of these viscoelastic dampers was introduced. Failure is governed by a degradation factor that models accumulating fatigue damage and results in a predictable, cyclic loss of maximum force capacity; specifically, the model accurately predicts a 36.3% reduction in peak force (from 111.44 N to 70.97 N) over the first 10 fatigue cycles. Crucially, the model incorporates the non-linear stiffness behavior caused by a fiber pull-out mechanism, which transitions load resistance from high elastic integrity to lower frictional forces post-critical displacement. These findings establish a direct, quantitative link between microstructural failure (verified via SEM) and observed performance decay, offering key insights for maintenance planning and material selection.
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Open AccessReview
Friedel–Crafts: A Key Step in the Synthesis of Pharmaceutical Compounds
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Konstantinos Anthopoulos, Stefanos Michailidis, Zafeiro Thomaidou, Lydia Vogiatzaki and Nikolaos C. Kokkinos
ChemEngineering 2026, 10(3), 36; https://doi.org/10.3390/chemengineering10030036 - 4 Mar 2026
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This comprehensive review provides a consolidated and practically oriented overview of the Friedel–Crafts reaction in pharmaceutical synthesis, bringing together data from 93 peer-reviewed studies published between 1962 and 2025. Through a structured and comparative analysis of the literature retrieved from the Scopus and
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This comprehensive review provides a consolidated and practically oriented overview of the Friedel–Crafts reaction in pharmaceutical synthesis, bringing together data from 93 peer-reviewed studies published between 1962 and 2025. Through a structured and comparative analysis of the literature retrieved from the Scopus and PubMed databases, this work integrates scattered information into a single, accessible resource, designed to guide researchers in drug discovery and development. The findings identify alkylation and acylation as the dominant Friedel–Crafts transformations, often enabling the synthesis of pharmacologically relevant scaffolds depending on substrate structure and the efficiency and selectivity of the catalytic system. These include compounds with anticancer, anti-inflammatory, and antimicrobial potential. Trends in catalyst and solvent selection highlight both the persistent reliance on classical Lewis acids in chlorinated media and a gradual interest in more sustainable alternatives, although their adoption remains system-dependent. By consolidating 63 years of research into a unified reference, this review underscores the versatility and enduring relevance of Friedel–Crafts methodologies in medicinal chemistry but also offers a data-driven foundation for their optimized and more sustainable application in future pharmaceutical development.
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Machine Learning (ML) Modeling of CO2 Liquid–Vapour Equilibrium (LVE) Absorption in Amine Aqueous Solutions
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Timur-Vasile Chis, Monica Tegledi, Laurentiu Prodea, Alina Maria Faladau, Sadigov Murat, Mammadov Elmir, Anamaria Niculescu, Iolanda Popa and Tiberiu Sandu
ChemEngineering 2026, 10(3), 35; https://doi.org/10.3390/chemengineering10030035 - 3 Mar 2026
Abstract
Predicting CO2 absorption behavior in aqueous amine systems is a critical challenge for optimizing carbon capture technologies. This research develops a high-precision Artificial Neural Network (ANN) to simulate equilibrium data across various amine classes, including primary (MEA, DGA), secondary (DEA, DPA), and
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Predicting CO2 absorption behavior in aqueous amine systems is a critical challenge for optimizing carbon capture technologies. This research develops a high-precision Artificial Neural Network (ANN) to simulate equilibrium data across various amine classes, including primary (MEA, DGA), secondary (DEA, DPA), and tertiary (MDEA) amines. The model architecture utilizes a Multi-Layer Perceptron (MLP) trained on a dataset split into 70% training, 15% validation, and 15% testing segments to prevent overfitting and ensure reliable generalization. By employing a Sigmoid activation function, the network achieved a coefficient of determination (R2) exceeding 0.98 and an absolute average relative deviation (AARD) below 5%. Furthermore, this study evaluates the efficacy of classical isotherms (Langmuir, Freundlich, and Temkin) strictly as empirical curve-fitting correlations for liquid-phase behavior. Results indicate that while these models are traditionally surface-adsorption based, the Langmuir form provides a mathematically robust fit for the tertiary amine MDEA (R2 = 0.9673). Experimental observations indicate that Monoethanolamine (MEA) maintains the highest capacity for CO2 uptake. Since the model relies on categorical descriptors for amine types, it offers a rapid and efficient framework for assessing specific solvents in post-combustion capture infrastructure.
Full article
(This article belongs to the Special Issue AI-Driven Digital Twin for Process Safety in Chemical Engineering)
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Material-Based Hydrogen Storage Technologies: A Frontier Overview of Systems, Challenges, and Machine Learning Integration
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Haval Kukha Hawez, Jaidon Jibi Kurisinkal and Taimoor Asim
ChemEngineering 2026, 10(3), 34; https://doi.org/10.3390/chemengineering10030034 - 3 Mar 2026
Abstract
The intermittency of renewable-based power is a major barrier for long-term supply of clean energy, which necessitates the development of reliable solutions for clean energy storage and transition towards a carbon-neutral economy. Although hydrogen has emerged as a promising clean energy carrier to
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The intermittency of renewable-based power is a major barrier for long-term supply of clean energy, which necessitates the development of reliable solutions for clean energy storage and transition towards a carbon-neutral economy. Although hydrogen has emerged as a promising clean energy carrier to address this, its high compressibility requires safe, efficient and practical storage technologies for widespread deployment. Surface storage technologies for hydrogen have garnered attention due to their mobile and stationary applications, paving the way for a future hydrogen-based economy. This review provides a comprehensive review of surface hydrogen storage technologies, covering metal hydrides, metal-organic frameworks (MOFs), liquid organic hydrogen carriers (LOHCs), glass microspheres, capillary arrays, etc. Where previous reviews mostly address the chemistry behind these storage technologies, this study highlights practical integration and techno-economic assessment. Comparative analysis reveals that while LOHC and hydrides dominate in Technology Readiness Level, MOFs and carbohydrate-based systems offer high gravimetric potential, though they are currently quite costly. Other challenges like thermal management and large-scale regeneration remain critical for practical deployment. Moreover, recent advancements in Artificial Intelligence and Machine Learning offer unique insights, demonstrating their growing role in material screening, performance prediction, and the optimization of storage system designs. This review outlines the key challenges and research pathways required to support future deployment.
Full article
(This article belongs to the Special Issue Development of Devices for Electrochemical Energy Storage and Generation)
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From Baker’s Yeast to Skin Rejuvenation: Insights into the Anti-Wrinkle Properties of Chitin–Glucans Extracted from Saccharomyces cerevisiae
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Xiaosong Wang, Mojtaba Koosha, Tianduo Li, Yinghua Gong and Vladimir A. Vinokurov
ChemEngineering 2026, 10(3), 33; https://doi.org/10.3390/chemengineering10030033 - 2 Mar 2026
Cited by 1
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While Saccharomyces cerevisiae (baker’s yeast) offers a safe, non-animal source of chitin-glucan (CG), its potential as a functional cosmetic ingredient has been overshadowed by industrial sources like Aspergillus niger. This study advances the existing literature by establishing a critical structure–function relationship for
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While Saccharomyces cerevisiae (baker’s yeast) offers a safe, non-animal source of chitin-glucan (CG), its potential as a functional cosmetic ingredient has been overshadowed by industrial sources like Aspergillus niger. This study advances the existing literature by establishing a critical structure–function relationship for CG micro/nano particles extracted via three physical disruption methods: ultrasonic bath, ultrasonic probe, and autoclaving. The obtained CG was systematically characterized by physicochemical and biological tests. A significant trade-off was identified: while autoclaving (40 min) resulted in lower mass yield compared to ultrasonication, it produced particles with the highest crystallinity, an enriched chitin/glucan ratio, and the smallest particle size (~70% of particles with mean diameter of 480 ± 33 nm). Structurally, these sub-micron particles demonstrated superior colloidal stability and a physical “barrier effect” for sustained hydration, outperforming the amorphous structures typically associated with mild extraction. The anti-wrinkle efficacy was validated through a specific “triad” mechanism: (1) the insoluble 3D network ensures prolonged water retention, (2) the particles exhibit robust free radical scavenging activity (~67%), and (3) most notably, the specific nano-structure significantly upregulated Collagen Type I-α1 expression in human dermal fibroblasts (HDF) and human skin fibroblasts (HSF), surpassing commercial chitin controls. These findings prove that the extraction-induced nano-structure, rather than mass yield, is the determinant factor for bioactivity, positioning S. cerevisiae CG as a high-performance, multi-target ingredient for anti-aging formulations.
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Open AccessArticle
Frequencies, Velocities, and Spacing of Interfacial Waves of Falling Liquid Films in a Large Diameter Vertical Pipe
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Abbas H Hasan, Shara K Mohammed, Buddhika Hewakandamby, Faiza Saidj, Abdelwahid Azzi and Barry James Azzopardi
ChemEngineering 2026, 10(3), 32; https://doi.org/10.3390/chemengineering10030032 - 24 Feb 2026
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Many of the film thickness measurements that have been reported in the literature tend to focus on small pipe diameters, which may not be practical for a variety of industrial applications. Additionally, single-point measurements are unable to provide the necessary film thickness data
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Many of the film thickness measurements that have been reported in the literature tend to focus on small pipe diameters, which may not be practical for a variety of industrial applications. Additionally, single-point measurements are unable to provide the necessary film thickness data around the circumference of the pipe as well as in the axial direction. This paper aims to experimentally study the behaviour of wavy liquid films, including wave frequency, wave velocity, wave width, and wave spacing. A Multi-Pin Film Sensor (MPFS) was used to extract the thickness of a free-falling liquid film in axial, circumferential, and temporal coordinates. The range of liquid Reynolds number ReL used was 618–1670. It was found that the power spectral density of the disturbance waves showed a pronounced peak at the modal frequency of 6–8 Hz. The number of disturbance waves was found to be almost independent of ReL. The axial interfacial wave seemed to travel at a constant velocity while the mean velocity in circumferential direction was negligible. The mean width of the disturbance waves was approximately 17.7% of the pipe diameter.
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Open AccessArticle
Valorization of Waste Cooking Oils into Antimicrobial Soaps with Honey, Propolis, and Essential Oils
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Mirel Glevitzky, Gabriela-Alina Dumitrel, Ana-Maria Pană, Gerlinde Iuliana Rusu, Mihai-Teopent Corcheş and Mihaela Laura Vică
ChemEngineering 2026, 10(2), 31; https://doi.org/10.3390/chemengineering10020031 - 11 Feb 2026
Abstract
The valorization of waste cooking oils (WCOs) provides a strategy to reduce environmental impact while converting residues from the food industry into valuable products. This study developed and characterized antimicrobial soaps from purified WCOs (sunflower, palm, and pumpkin oils) enriched with natural bioactive
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The valorization of waste cooking oils (WCOs) provides a strategy to reduce environmental impact while converting residues from the food industry into valuable products. This study developed and characterized antimicrobial soaps from purified WCOs (sunflower, palm, and pumpkin oils) enriched with natural bioactive ingredients. WCOs were purified by filtration, treatment with 10% NaCl, and bleaching with 3% H2O2, followed by cold saponification with NaOH. Twelve soap formulations were prepared, including six enriched with bee products (propolis, poly-floral honey, linden, acacia, honeydew, and sunflower) and six enriched with essential oils (EOs) (clove, rosemary, mace, nutmeg, white pepper, and juniper). The WCOs, natural bioactive ingredients, and soaps were characterized using physico-chemical methods (FTIR, GC-FID, phenols, flavonoids, etc.), while their antibacterial activity was determined against two microbial strains: Staphylococcus aureus and Escherichia coli. The antimicrobial activity of soaps is related to their alkaline pH, while the addition of honey, propolis, or EOs contributes to additional antimicrobial effects. Among honey- and propolis-enriched soaps, those with propolis produced the largest inhibition zones (up to 8.67 mm for S. aureus and 7.0 mm for E. coli). EO-based soaps exhibited higher activity, with rosemary EO-based soap showing the largest zones (up to 9.5 mm for S. aureus and 7.5 mm for E. coli). These data support the potential of enriched soaps containing honey, propolis, and EOs for antimicrobial applications, highlighting their value as a sustainable alternative in the valorization of WCOs.
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(This article belongs to the Special Issue Innovative Approaches for the Environmental Chemical Engineering)
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Adsorption of Perfluorooctanoic Acid from Aqueous Media Using an Engineered Sugarcane Bagasse Biochar–Chitosan Composite
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K. Pavithra and Paromita Chakraborty
ChemEngineering 2026, 10(2), 30; https://doi.org/10.3390/chemengineering10020030 - 11 Feb 2026
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In the recent years, several studies from developing economies have reported the presence of per- and polyfluoroalkyl substances (PFAS) in water bodies, with perfluorooctanoic acid (PFOA) predominating, a potential endocrine disruptor. In this study, an engineered sugarcane bagasse biochar–chitosan composite (SBCT) was designed,
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In the recent years, several studies from developing economies have reported the presence of per- and polyfluoroalkyl substances (PFAS) in water bodies, with perfluorooctanoic acid (PFOA) predominating, a potential endocrine disruptor. In this study, an engineered sugarcane bagasse biochar–chitosan composite (SBCT) was designed, synthesized, and evaluated as a novel adsorbent for the removal of PFOA from aqueous systems at concentrations up to 500 ppb. Batch adsorption experiments were conducted to investigate the effects of initial PFOA concentration, contact time, pH, adsorbent dosage, and temperature. Scanning electron microscopy (SEM) showed that SBCT has a significant porous structure. The composite showed over 90% of PFOA removal from water. Further, peaks corresponding to C–F bonds observed after adsorption by Fourier transform infrared (FTIR) spectroscopy confirms the adsorption of PFOA on SBCT. The protonated amine groups (NH3+) in chitosan enhanced the adsorption of anionic PFOA through electrostatic attraction with carboxyl groups (COO−). The kinetic study revealed that pseudo-first-order best described the adsorption process, with an equilibrium adsorption capacity (qeq) of 2.78 mg/g, suggesting that physisorption is the predominant mechanism. The Langmuir Isotherm model gave the best fit, establishing a maximum adsorption capacity (qmax) of 9.08 mg/g. Thermodynamic analysis revealed that the adsorption process was spontaneous and exothermic, consistent with physisorption. The regeneration capacity of the SBCT composite demonstrated exceptional reusability over five methanol adsorption–desorption cycles. The adsorption kinetics, equilibrium behavior, and regeneration efficiency suggest that SBCT is a viable low-cost adsorbent for batch adsorption-based treatment systems targeting PFOA removal, particularly in decentralized and resource-constrained water treatment applications.
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Open AccessArticle
The Role of a SiC Sublayer in Modulating the Electrochemical Behavior of CoxSy/SiC Heterostructure Supercapacitor Electrodes
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Tatiana A. Moiseeva, Inna Yu. Bogush, Oleg I. Il’in, Alexey N. Yatsenko, Rajathsing Kalusulingam and Tatiana N. Myasoedova
ChemEngineering 2026, 10(2), 29; https://doi.org/10.3390/chemengineering10020029 - 10 Feb 2026
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In this study, we investigated the electrochemical properties and performance characteristics of CoxSy and silicon–carbon-based heterostructures synthesized on nickel foam substrates for energy storage applications. Cobalt sulfide films were successfully electrodeposited on nickel foam (NF) using cyclic voltammetry (CV) from
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In this study, we investigated the electrochemical properties and performance characteristics of CoxSy and silicon–carbon-based heterostructures synthesized on nickel foam substrates for energy storage applications. Cobalt sulfide films were successfully electrodeposited on nickel foam (NF) using cyclic voltammetry (CV) from the solutions with different Co2+ concentrations. The presence of a silicon–carbon sublayer promotes the deposition of cobalt sulfide material. The amorphous phase of α-CoS was observed by the X-ray diffraction technique. Raman spectroscopy confirmed the formation of CoS and CoS2 phases. A significant increase in electrode areal capacitance is observed with the silicon–carbon film sublayer from 0.5 to 1.3 F·cm−2 and from 1.6 to 2.3 F·cm−2 at 3 mA·cm−2 for samples prepared from solutions with CoCl2·6H2O concentrations of 0.005 M and 0.02 M, respectively. In the case of gravimetric capacitance, an increase is observed in the presence of a silicon–carbon sublayer for the SiC@CoS_0.005 sample, rising from 690 F·g−1 to 748 F·g−1 at 4 A·g−1. Conversely, the SiC@CoS_0.02 sample shows a decrease from 1287 F·g−1 to 6590 F·g−1. It was shown that the capacitance of all the electrodes derives from the mix of diffusion-controlled and surface-controlled capacitance processes. The electrochemical impedance spectroscopy (EIS) analysis indicates that the formation of heterostructure materials significantly alters the electrochemical properties by reducing both Rf and Rs.
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Structure-Based Screening and Molecular Dynamics of Rifampicin Analogues Targeting InhA of Mycobacterium tuberculosis
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Lucas Paul and Andrew S. Paluch
ChemEngineering 2026, 10(2), 28; https://doi.org/10.3390/chemengineering10020028 - 6 Feb 2026
Abstract
Tuberculosis (TB), caused by Mycobacterium tuberculosis (Mtb), remains a global health burden, particularly due to multidrug-resistant (MDR) and extensively drug-resistant (XDR) strains. Rifampicin, a frontline anti-TB drug that inhibits RNA polymerase, has been central to therapy, but rpoB mutations compromise its efficacy. This
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Tuberculosis (TB), caused by Mycobacterium tuberculosis (Mtb), remains a global health burden, particularly due to multidrug-resistant (MDR) and extensively drug-resistant (XDR) strains. Rifampicin, a frontline anti-TB drug that inhibits RNA polymerase, has been central to therapy, but rpoB mutations compromise its efficacy. This highlights the need for Rifampicin analogues that target alternative enzymes to sustain therapeutic effectiveness. In this study, a structure-based computational approach was employed to screen Rifampicin analogues against enoylacyl carrier protein reductase (InhA), a validated enzyme in the biosynthesis of mycolic acids. A library of 399 analogues was retrieved from SwissSimilarity and evaluated using ADMET analysis, with the best candidates showing favourable pharmacokinetic profiles and compliance with Lipinski’s Rule of Five. Molecular docking identified ZINC000013629834 (−10.90 kcal/mol) and ZINC000253411694 (−10.36 kcal/mol) as superior to Rifampicin (−9.05 kcal/mol), with ILE21, SER20, and THR196 consistently stabilizing interactions. Molecular dynamics simulations confirmed the stability of the complexes, with RMSD values of 0.167 nm, 0.175 nm, and 0.297 nm for ZINC000013629834, ZINC000253411694, and Rifampicin, respectively. MM/PBSA analysis showed comparable binding free energies. These findings suggest that optimized Rifampicin analogues targeting InhA may overcome rpoB-associated resistance and serve as promising leads for next-generation anti-TB drug development.
Full article
(This article belongs to the Special Issue New Trends in (Bio)chemical Engineering: Biobased Pharmaceutical Processes)
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Crack the Shell by Unlocking the Polyphenol Power of Hazelnut Waste with Ultrasound
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Jana Šic Žlabur, Margareta Đumbir, Anamarija Peter, Jona Šurić, Sandra Voća, Martina Skendrović Babojelić, Filip Varga and Mia Dujmović
ChemEngineering 2026, 10(2), 27; https://doi.org/10.3390/chemengineering10020027 - 6 Feb 2026
Abstract
Hazelnut (Corylus avellana L.) shells, typically discarded as agro-industrial by-products, represent a potentially valuable source of bioactive polyphenolic compounds with significant antioxidant properties. This study aimed to evaluate and compare the polyphenol composition and antioxidant capacity of the kernels and shells of
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Hazelnut (Corylus avellana L.) shells, typically discarded as agro-industrial by-products, represent a potentially valuable source of bioactive polyphenolic compounds with significant antioxidant properties. This study aimed to evaluate and compare the polyphenol composition and antioxidant capacity of the kernels and shells of two hazelnut varieties, ‘Rimski’ and ‘Istarski duguljasti’. High-intensity ultrasound-assisted extraction (UAE) was applied to enhance the recovery of bioactive compounds under optimized conditions (80% ethanol, high amplitude, and 25 min treatment). The extracts were analyzed for total polyphenols, total flavonoids, total non-flavonoids, and individual phenolic compounds. Hazelnut shells exhibited significantly higher levels of total polyphenols, flavonoids, and antioxidant capacity compared to kernels. The dominant individual polyphenolic compounds identified in the shell were kaempferol, gallic acid, naringin, rutin trihydrate, quercetin-3-glucoside, chlorogenic acid, quercetin, ferulic acid, rosmarinic acid, and vanillic acid. Application of UAE notably improved extraction efficiency and overall yield compared to conventional extraction methods. The findings underscore hazelnut shells as a nutritionally and functionally valuable by-product and confirm UAE as a green, efficient extraction technique. These results provide a strong basis for developing high-value-added products for the cosmetic, pharmaceutical, and food industries, thereby supporting circular bioeconomy and sustainable chemistry principles.
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(This article belongs to the Special Issue Advances in Sustainable and Green Chemistry)
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Open AccessArticle
Performance Evaluation of Nano Ag/Co Modified Hydroxyapatite Catalyst Synthesized via Dielectric Barrier Discharge for Highly Efficient Toluene Oxidation
by
Shu-Yao Zhang, Xue-Min Wang, En-Peng Deng, Ya-Ni Zhang, Hui Zhu, Qiang Chen, Si-Wen Pan and Yu-Xin Miao
ChemEngineering 2026, 10(2), 26; https://doi.org/10.3390/chemengineering10020026 - 5 Feb 2026
Abstract
In this study, a series of Ag/Co-HA catalysts were synthesized using a plasma-assisted method. Plasma is a partially ionized gas composed of electrons, ions, neutral molecules, free radicals, photons, and excited-state substances, which can serve as a highly reactive medium for catalyst modification.
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In this study, a series of Ag/Co-HA catalysts were synthesized using a plasma-assisted method. Plasma is a partially ionized gas composed of electrons, ions, neutral molecules, free radicals, photons, and excited-state substances, which can serve as a highly reactive medium for catalyst modification. Its unique discharge characteristics can effectively regulate the dispersion of active sites, electronic structure, and metal–support interactions. The study compared the performance of catalysts prepared by the traditional high-temperature calcination method with those treated by rapid plasma in the toluene oxidation removal reaction. The results showed that the catalyst treated by dielectric barrier discharge (DBD) plasma exhibited excellent low-temperature catalytic activity, achieving 100% toluene conversion and approximately 75% CO2 selectivity at 275 °C, while the catalyst prepared by traditional calcination only achieved 73% toluene conversion and approximately 50% CO2 selectivity at 285 °C. This study provides a simple preparation method for the Ag/5Co-HA-P catalyst. Due to the plasma treatment’s ability to precisely control the catalyst structure, along with advantages such as low energy consumption, short processing time, and environmental friendliness, it holds significant application prospects in the field of VOCs treatment.
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(This article belongs to the Special Issue Advanced Functional Materials and Interfaces for Electrochemical Energy Storage and Environmental Catalysis)
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Open AccessReview
Catalytic Oxidation of Alkanes and Cycloalkanes: Overview
by
Aygun Zabit Aliyeva, Ulviyya Aliman Karimova, Sahib Gadji Yunusov, Michael Vigdorowitsch and Sevinj Abdulhamid Mammadkhanova
ChemEngineering 2026, 10(2), 25; https://doi.org/10.3390/chemengineering10020025 - 3 Feb 2026
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Selective functionalisation of inert C(sp3)–H bonds in alkanes and cycloalkanes remains one of the main challenges in the field of environmentally sustainable chemistry. This review provides a critical assessment of current catalytic strategies, in particular addressing the persistent problem of overoxidation
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Selective functionalisation of inert C(sp3)–H bonds in alkanes and cycloalkanes remains one of the main challenges in the field of environmentally sustainable chemistry. This review provides a critical assessment of current catalytic strategies, in particular addressing the persistent problem of overoxidation and low selectivity. Going beyond traditional compartmentalised summaries, this work identifies a significant trend towards the integration of non-traditional activation methods, including ultrasonic cavitation, photocatalysis, and nanosecond pulse discharges, in both homogeneous and heterogeneous systems. Key contributions include a comparative analysis of radical control strategies, in particular highlighting how intermediate hydroperoxides can be used to shift reaction pathways towards selectivity of over 97% for alcohols and ketones. In addition, we discuss the emerging role of carbon nanomaterials (e.g., fullerenes and brominated nanotubes) as active electron-rich carriers and catalysts that lower the energy barriers for C–H activation under mild, ‘green’ conditions. The review concludes that the future of scalable hydrocarbon oxidation lies in ‘hybrid’ approaches such as stabilising active metal centres in protective matrices (zeolites, polymers) while using physical stimuli (ultrasound) to overcome diffusion limitations. This unique perspective highlights the transition from purely chemical catalyst design to integrated process intensification, offering a roadmap for energy-efficient and environmentally friendly industrial technologies.
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Open AccessArticle
Kinetics of Decomposition in Alkaline Media NaOH and Ca(OH)2 of Thallium Jarosite
by
Hernán Islas, J. Eliecer Méndez, Francisco Patiño, Sayra Ordoñez, Iván A. Reyes, Paola B. Bocardo, Martín Reyes, Miriam Estrada and Mizraim U. Flores
ChemEngineering 2026, 10(2), 24; https://doi.org/10.3390/chemengineering10020024 - 3 Feb 2026
Abstract
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Thallium is one of the most toxic elements on the planet, and one alternative method for its precipitation is through jarosite-type compounds. Therefore, in this work, the kinetics of thallium jarosite were evaluated in an alkaline medium (NaOH and Ca(OH)2). Experiments
[...] Read more.
Thallium is one of the most toxic elements on the planet, and one alternative method for its precipitation is through jarosite-type compounds. Therefore, in this work, the kinetics of thallium jarosite were evaluated in an alkaline medium (NaOH and Ca(OH)2). Experiments were conducted to assess the effect of medium concentration from 0.03 M to 5.5 × 10−4 M and the effect of temperature from 20 °C to 60 °C. The sigmoidal curves showed an induction period, during which there was no release of sulfur or thallium ions into the solution, nor the formation of solid byproducts, according to the X ray diffraction (XRD) results. Similarly, a progressive conversion period was observed, evidenced by the release of sulfur and thallium ions into the solution and the formation of amorphous solids. Finally, a stability zone is reached, indicating that the decomposition reaction has ended, as there are no changes in the concentration of sulfur and thallium ions in the solution. The reaction was monitored by determining S using Inductively Coupled Plasma (ICP). The experimental results for the progressive conversion period show a better fit to the chemically controlled shrinking core kinetic model. The reaction order for the kinetics in NaOH medium is 1.09 for the induction period and 0.89 for the progressive conversion period, while for Ca(OH)2 medium it is 0.78 for the induction period and 0.47 for the progressive conversion period. The activation energies for the progressive conversion period in the two proposed media are 91.87 kJ mol−1 in NaOH and 71.14 kJ mol−1 in Ca(OH)2, indicating that the controlling mechanism in both systems is the chemical reaction. For the induction period, the activation energies are 101.52 kJ mol−1 and 79.45 kJ mol−1, respectively, indicating that the chemical reaction also controls the initiation of the reactions. The high activation energy in both reaction media suggests that high concentrations of OH− and high temperatures are required to initiate the decomposition reaction. Thallium jarosite precipitates a large amount of thallium and requires high energy to decompose, so it could be a viable alternative in thallium retention.
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Open AccessArticle
Calculation, Measurement and Validation for Estimating the Biomass of the Biofilm on Microcarriers
by
Tamás Kloknicer, Gergő Bálint Sárfi, Dániel Benjámin Sándor and Anita Szabó
ChemEngineering 2026, 10(2), 23; https://doi.org/10.3390/chemengineering10020023 - 2 Feb 2026
Abstract
Traditional carriers play a major role in wastewater treatment worldwide due to their reliability, ease of production, well-established analytical methods, and strong treatment performance. Recent studies indicate that polyvinyl-alcohol-based microcarriers may surpass conventional media, as their smaller size, higher porosity, and increased specific
[...] Read more.
Traditional carriers play a major role in wastewater treatment worldwide due to their reliability, ease of production, well-established analytical methods, and strong treatment performance. Recent studies indicate that polyvinyl-alcohol-based microcarriers may surpass conventional media, as their smaller size, higher porosity, and increased specific surface area enable them to retain substantially more biomass within reactors. However, their practical application remains limited because fewer analytical methods and studies exist for these materials, largely due to their small dimensions and heat sensitivity, and their behaviour under industrial conditions—including their kinetics—has yet to be fully characterised and validated. This study aims to address these gaps by reviewing existing biomass measurement standards and highlighting their limitations when applied to microcarriers and by proposing alternative experimental approaches better suited for evaluating biomass on such sensitive yet high-capacity carriers. We present a set of experimental methods (still subject to further refinement) that demonstrate reliable performance with these materials, and to validate our approach, we quantified biomass in both in vitro systems and containerised-scale technologies, reaching up to 14 kg/m3 during winter and 8.7 kg/m3 in spring. Laboratory-scale experiments showed that both heterotrophic and autotrophic cultures can achieve high biomass levels of up to 21 kg/m3 and 16 kg/m3, respectively. Heterotrophs exhibited lower growth inhibition under shear stress, while autotrophs displayed a distinct shear-force niche around 0.09 µN within the reactor.
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(This article belongs to the Special Issue Advances in Chemical Engineering and Wastewater Treatment)
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