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Search Results (837)

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Keywords = low cost adsorbents

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22 pages, 2605 KiB  
Article
Production of Bioadsorbents via Low-Temperature Pyrolysis of Exhausted Olive Pomace for the Removal of Methylene Blue from Aqueous Media
by Safae Chafi, Manuel Cuevas-Aranda, Mª Lourdes Martínez-Cartas and Sebastián Sánchez
Molecules 2025, 30(15), 3254; https://doi.org/10.3390/molecules30153254 - 3 Aug 2025
Viewed by 166
Abstract
In this work, biochars were produced by pyrolysis of exhausted olive pomace and evaluated as low-cost adsorbents for the removal of methylene blue (MB) from aqueous solutions. The biochar obtained at 400 °C for 1 h, which exhibited the best adsorption performance, was [...] Read more.
In this work, biochars were produced by pyrolysis of exhausted olive pomace and evaluated as low-cost adsorbents for the removal of methylene blue (MB) from aqueous solutions. The biochar obtained at 400 °C for 1 h, which exhibited the best adsorption performance, was characterized by FTIR, N2 adsorption–desorption isotherms, SEM-EDX, and proximate analysis, revealing a mesoporous structure with a relatively low specific surface area but enriched in surface functional groups, likely due to the partial degradation of lignocellulosic components. Adsorption experiments were conducted to optimize operational parameters such as solid particle size (2–3 mm), agitation speed (75 rpm), and bioadsorbent dosage (1 g per 0.05 L of MB solution), which allowed for dye removal efficiencies close to 100%. Kinetic studies showed that MB adsorption followed a pseudo-second-order model, while equilibrium data at 30 °C were best described by the Langmuir isotherm (R2 = 0.999; SE = 4.25%), suggesting monolayer coverage and strong adsorbate–adsorbent affinity. Desorption trials using water, ethanol, and their mixtures resulted in low MB recovery, whereas the addition of 10% acetic acid significantly improved desorption performance. Under optimal conditions, up to 52% of the retained dye was recovered. Full article
(This article belongs to the Special Issue Advances in Biomass Chemicals: Transformation and Valorization)
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24 pages, 5828 KiB  
Article
Removal of Rifampicin and Rifaximin Antibiotics on PET Fibers: Optimization, Modeling, and Mechanism Insight
by Elena Fasniuc-Pereu, Elena Niculina Drăgoi, Dumitru Bulgariu, Maria-Cristina Popescu and Laura Bulgariu
Polymers 2025, 17(15), 2089; https://doi.org/10.3390/polym17152089 - 30 Jul 2025
Viewed by 227
Abstract
The removal of antibiotics from aqueous media along with their recovery is still an open research topic, due to their practical and economical importance. Adsorption allows these two objectives to be achieved, provided that the adsorbent used is chemically and mechanically stable and [...] Read more.
The removal of antibiotics from aqueous media along with their recovery is still an open research topic, due to their practical and economical importance. Adsorption allows these two objectives to be achieved, provided that the adsorbent used is chemically and mechanically stable and has a low preparation cost. In this study, PET (polyethylene terephthalate) fibers, obtained by mechanically processing PET waste, were used for the adsorption of rifampicin (RIF) and rifaximin (RIX) antibiotics from aqueous media. The experimental adsorption capacity of PET fibers for the two antibiotics (RIF and RIX) was determined at different pH values (2.0–6.5), adsorbent dose (0.4–20.0 g/L), contact time (5–1440 min), initial antibiotic concentration (4.0–67.0 mg/L), and temperature (10, 22, and 50 °C); the experimental values of these parameters were analyzed using a neuro-evolutive technique (ANE) combining sequential deep learning (DL) models with a differential evolution algorithm. The obtained optimal ANN-DL algorithm was then used to obtain the optimal models for the adsorption of RIF and RIX on PET fibers, which should adequately describe the adsorption dynamics for both antibiotics. The adsorption processes are spontaneous and endothermic (ΔG < 0, ΔH > 0) and are described by the Langmuir model (R2 > 0.97) and the pseudo-second order kinetic model (R2 > 0.99). The retention of RIF and RIX on the surface of PET fibers occurs through physicochemical interactions, and the FTIR spectra and microscopic images support this hypothesis. The presence of inorganic anions in the aqueous solution leads to an increase in the adsorption capacities of RIF (max. 7.6 mg/g) and RIX (max. 3.6 mg/g) on PET fibers, which is mainly due to the ordering of water molecules in the solution. The experimental results presented in this study allowed for the development of the adsorption mechanism of RIF and RIX on PET fibers, highlighting the potential practical applications of these adsorption processes. Full article
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37 pages, 3768 KiB  
Review
Mechanochemical Preparation of Biomass-Derived Porous Carbons
by Jerzy Choma, Barbara Szczęśniak and Mietek Jaroniec
Molecules 2025, 30(15), 3125; https://doi.org/10.3390/molecules30153125 - 25 Jul 2025
Viewed by 418
Abstract
Conventional methods for the synthesis of porous carbons are typically time- and energy-consuming and often contribute to the excessive accumulation of waste solvents. An alternative approach is to employ environmentally friendly procedures, such as mechanochemical synthesis, which holds great potential for large-scale production [...] Read more.
Conventional methods for the synthesis of porous carbons are typically time- and energy-consuming and often contribute to the excessive accumulation of waste solvents. An alternative approach is to employ environmentally friendly procedures, such as mechanochemical synthesis, which holds great potential for large-scale production of advanced carbon-based materials in coming years. This review covers mechanochemical syntheses of highly porous carbons, with a particular focus on new adsorbents and catalysts that can be obtained from biomass. Mechanochemically assisted methods are well suited for producing highly porous carbons (e.g., ordered mesoporous carbons, hierarchical porous carbons, porous carbon fibers, and carbon–metal composites) from tannins, lignin, cellulose, coconut shells, nutshells, bamboo waste, dried flowers, and many other low-cost biomass wastes. Most mechanochemically prepared porous carbons are proposed for applications related to adsorption, catalysis, and energy storage. This review aims to offer researchers insights into the potential utilization of biowastes, facilitating the development of cost-effective strategies for the production of porous carbons that meet industrial demands. Full article
(This article belongs to the Special Issue New Insights into Porous Materials in Adsorption and Catalysis)
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36 pages, 7620 KiB  
Review
Hydrogen Energy Storage via Carbon-Based Materials: From Traditional Sorbents to Emerging Architecture Engineering and AI-Driven Optimization
by Han Fu, Amin Mojiri, Junli Wang and Zhe Zhao
Energies 2025, 18(15), 3958; https://doi.org/10.3390/en18153958 - 24 Jul 2025
Viewed by 499
Abstract
Hydrogen is widely recognized as a key enabler of the clean energy transition, but the lack of safe, efficient, and scalable storage technologies continues to hinder its broad deployment. Conventional hydrogen storage approaches, such as compressed hydrogen storage, cryo-compressed hydrogen storage, and liquid [...] Read more.
Hydrogen is widely recognized as a key enabler of the clean energy transition, but the lack of safe, efficient, and scalable storage technologies continues to hinder its broad deployment. Conventional hydrogen storage approaches, such as compressed hydrogen storage, cryo-compressed hydrogen storage, and liquid hydrogen storage, face limitations, including high energy consumption, elevated cost, weight, and safety concerns. In contrast, solid-state hydrogen storage using carbon-based adsorbents has gained growing attention due to their chemical tunability, low cost, and potential for modular integration into energy systems. This review provides a comprehensive evaluation of hydrogen storage using carbon-based materials, covering fundamental adsorption mechanisms, classical materials, emerging architectures, and recent advances in computationally AI-guided material design. We first discuss the physicochemical principles driving hydrogen physisorption, chemisorption, Kubas interaction, and spillover effects on carbon surfaces. Classical adsorbents, such as activated carbon, carbon nanotubes, graphene, carbon dots, and biochar, are evaluated in terms of pore structure, dopant effects, and uptake capacity. The review then highlights recent progress in advanced carbon architectures, such as MXenes, three-dimensional architectures, and 3D-printed carbon platforms, with emphasis on their gravimetric and volumetric performance under practical conditions. Importantly, this review introduces a forward-looking perspective on the application of artificial intelligence and machine learning tools for data-driven sorbent design. These methods enable high-throughput screening of materials, prediction of performance metrics, and identification of structure–property relationships. By combining experimental insights with computational advances, carbon-based hydrogen storage platforms are expected to play a pivotal role in the next generation of energy storage systems. The paper concludes with a discussion on remaining challenges, utilization scenarios, and the need for interdisciplinary efforts to realize practical applications. Full article
(This article belongs to the Section A5: Hydrogen Energy)
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25 pages, 2545 KiB  
Article
Kinetic, Isotherm, and Thermodynamic Modeling of Methylene Blue Adsorption Using Natural Rice Husk: A Sustainable Approach
by Yu-Ting Huang and Ming-Cheng Shih
Separations 2025, 12(8), 189; https://doi.org/10.3390/separations12080189 - 22 Jul 2025
Viewed by 304
Abstract
The discharge of synthetic dyes in industrial wastewaters poses a serious environmental threat as they are difficult to degrade naturally and are harmful to aquatic organisms. This study aimed to evaluate the feasibility of using clean untreated rice husk (CRH) as a sustainable [...] Read more.
The discharge of synthetic dyes in industrial wastewaters poses a serious environmental threat as they are difficult to degrade naturally and are harmful to aquatic organisms. This study aimed to evaluate the feasibility of using clean untreated rice husk (CRH) as a sustainable and low-cost adsorbent for the removal of methylene blue (MB) from synthetic wastewater. This approach effectively avoids the energy-intensive grinding process by directly using whole unprocessed rice husk, highlighting its potential as a sustainable and cost-effective alternative to activated carbon. A series of batch adsorption experiments were conducted to evaluate the effects of key operating parameters such as initial dye concentration, contact time, pH, ionic strength, and temperature on the adsorption performance. Adsorption kinetics, isotherm models, and thermodynamic analysis were applied to elucidate the adsorption mechanism and behavior. The results showed that the maximum adsorption capacity of CRH for MB was 5.72 mg/g. The adsorption capacity was stable and efficient between pH 4 and 10, and reached the highest value at pH 12. The presence of sodium ions (Na+) and calcium ions (Ca2+) inhibited the adsorption efficiency, with calcium ions having a more significant effect. Kinetic analysis confirmed that the adsorption process mainly followed a pseudo-second-order model, suggesting the involvement of a chemisorption mechanism; notably, in the presence of ions, the Elovich model provided better predictions of the data. Thermodynamic evaluation showed that the adsorption was endothermic (ΔH° > 0) and spontaneous (ΔG° < 0), accompanied by an increase in the disorder of the solid–liquid interface (ΔS° > 0). The calculated activation energy (Ea) was 17.42 kJ/mol, further supporting the involvement of chemisorption. The equilibrium adsorption data were well matched to the Langmuir model at high concentrations (monolayer adsorption), while they were accurately described by the Freundlich model at lower concentrations (surface heterogeneity). The dimensionless separation factor (RL) confirmed that the adsorption process was favorable at all initial MB concentrations. The results of this study provide insights into the application of agricultural waste in environmental remediation and highlight the potential of untreated whole rice husk as a sustainable and economically viable alternative to activated carbon, which can help promote resource recovery and pollution control. Full article
(This article belongs to the Section Environmental Separations)
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16 pages, 2206 KiB  
Article
Turning Waste into Wealth: Sustainable Amorphous Silica from Moroccan Oil Shale Ash
by Anas Krime, Sanaâ Saoiabi, Mouhaydine Tlemcani, Ahmed Saoiabi, Elisabete P. Carreiro and Manuela Ribeiro Carrott
Recycling 2025, 10(4), 143; https://doi.org/10.3390/recycling10040143 - 20 Jul 2025
Viewed by 293
Abstract
Moroccan oil shale ash (MOSA) represents an underutilized industrial by-product, particularly in the Rif region, where its high mineral content has often led to its neglect in value-added applications. This study highlights the successful conversion of MOSA into amorphous mesoporous silica (AS-Si) using [...] Read more.
Moroccan oil shale ash (MOSA) represents an underutilized industrial by-product, particularly in the Rif region, where its high mineral content has often led to its neglect in value-added applications. This study highlights the successful conversion of MOSA into amorphous mesoporous silica (AS-Si) using a sol–gel process assisted by polyethylene glycol (PEG-6000) as a soft template. The resulting AS-Si material was extensively characterized to confirm its potential for environmental remediation. FTIR analysis revealed characteristic vibrational bands corresponding to Si–OH and Si–O–Si bonds, while XRD confirmed its amorphous nature with a broad diffraction peak at 2θ ≈ 22.5°. SEM imaging revealed a highly porous, sponge-like morphology composed of aggregated nanoscale particles, consistent with the nitrogen adsorption–desorption isotherm. The material exhibited a specific surface area of 68 m2/g, a maximum in the pore size distribution at a pore diameter of 2.4 nm, and a cumulative pore volume of 0.11 cm3/g for pores up to 78 nm. DLS analysis indicated an average hydrodynamic diameter of 779 nm with moderate polydispersity (PDI = 0.48), while a zeta potential of –34.10 mV confirmed good colloidal stability. Furthermore, thermogravimetric analysis (TGA) and DSC suggested the thermal stability of our amorphous silica. The adsorption performance of AS-Si was evaluated using methylene blue (MB) and ciprofloxacin (Cipro) as model pollutants. Kinetic data were best fitted by the pseudo-second-order model, while isotherm studies favored the Langmuir model, suggesting monolayer adsorption. AS-Si could be used four times for the removal of MB and Cipro. These results collectively demonstrate that AS-Si is a promising, low-cost, and sustainable adsorbent derived from Moroccan oil shale ash for the effective removal of organic contaminants from aqueous media. Full article
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21 pages, 1816 KiB  
Review
Lignin Waste Valorization in the Bioeconomy Era: Toward Sustainable Innovation and Climate Resilience
by Alfonso Trezza, Linta Mahboob, Anna Visibelli, Michela Geminiani and Annalisa Santucci
Appl. Sci. 2025, 15(14), 8038; https://doi.org/10.3390/app15148038 - 18 Jul 2025
Viewed by 460
Abstract
Lignin, the most abundant renewable aromatic biopolymer on Earth, is rapidly emerging as a powerful enabler of next-generation sustainable technologies. This review shifts the focus to the latest industrial breakthroughs that exploit lignin’s multifunctional properties across energy, agriculture, healthcare, and environmental sectors. Lignin-derived [...] Read more.
Lignin, the most abundant renewable aromatic biopolymer on Earth, is rapidly emerging as a powerful enabler of next-generation sustainable technologies. This review shifts the focus to the latest industrial breakthroughs that exploit lignin’s multifunctional properties across energy, agriculture, healthcare, and environmental sectors. Lignin-derived carbon materials are offering scalable, low-cost alternatives to critical raw materials in batteries and supercapacitors. In agriculture, lignin-based biostimulants and controlled-release fertilizers support resilient, low-impact food systems. Cosmetic and pharmaceutical industries are leveraging lignin’s antioxidant, UV-protective, and antimicrobial properties to create bio-based, clean-label products. In water purification, lignin-based adsorbents are enabling efficient and biodegradable solutions for persistent pollutants. These technological leaps are not merely incremental, they represent a paradigm shift toward a materials economy powered by renewable carbon. Backed by global sustainability roadmaps like the European Green Deal and China’s 14th Five-Year Plan, lignin is moving from industrial residue to strategic asset, driven by unprecedented investment and cross-sector collaboration. Breakthroughs in lignin upgrading, smart formulation, and application-driven design are dismantling long-standing barriers to scale, performance, and standardization. As showcased in this review, lignin is no longer just a promising biopolymer, it is a catalytic force accelerating the global transition toward circularity, climate resilience, and green industrial transformation. The future of sustainable innovation is lignin-enabled. Full article
(This article belongs to the Special Issue Biosynthesis and Applications of Natural Products)
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14 pages, 1078 KiB  
Article
Studies on a New 1,3,4-Oxadiazole Bixin Dimer for Potential Application in Dye-Sensitized Solar Cells
by Afonso Santine M. M. Velez, Daniela Pinheiro, Carlos Serpa, Rosane Nora Castro, Marco Edilson Freire de Lima and Otávio Augusto Chaves
Reactions 2025, 6(3), 39; https://doi.org/10.3390/reactions6030039 - 13 Jul 2025
Viewed by 364
Abstract
Dye-sensitized solar cells (DSSCs) have emerged as a promising technology for converting sunlight into electricity at a low cost; however, it is still necessary to find a photostable, low-cost, and efficient photosensitizer. In this sense, the natural product bixin (Dye 1) [...] Read more.
Dye-sensitized solar cells (DSSCs) have emerged as a promising technology for converting sunlight into electricity at a low cost; however, it is still necessary to find a photostable, low-cost, and efficient photosensitizer. In this sense, the natural product bixin (Dye 1) has previously been reported as a potential photosensitizer. Thus, the present work reports the full synthesis of diester and diacid hybrids (Dyes 2 and 3, respectively, with corresponding yields of 93% and 52%) using the natural product bixin as a starting material and 1,3,4-oxadiazole ring as a connected point. The hydrolysis step of Dye 2 aims to obtain Dye 3 with a structural capacity to anchor the titanium dioxide (TiO2) nanofilms via the carboxylic acid group. Both compounds (Dyes 1 and 3) can be adsorbed via pseudo-first order on the surface of TiO2 nanofilms, reaching saturation after 10 and 6 min of exposure in an organic solution (1 × 10−5 M), respectively, with adsorption kinetics of the semisynthetic compound almost twofold higher than the natural product. Contrary to expectations, Dye 3 had spectral behavior similar to Dye 1, but with better frontier molecular orbital (FMO) parameters, indicating that Dye 3 will probably behave very similarly or have slightly better photovoltaic performance than Dye 1 in future DSSC measurements. Full article
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13 pages, 2269 KiB  
Article
Sulfonated Biopolymer Derived from Wheat Straw for the Recovery of Au(III)
by Nyamjargal Lkhamtogmid, Burmaa Gunchin, Burmaa Dashdendev, Munkhbaatar Punsantsogvoo, Munkhpurev Bat-Amgalan and Ganchimeg Yunden
Polymers 2025, 17(14), 1914; https://doi.org/10.3390/polym17141914 - 11 Jul 2025
Viewed by 339
Abstract
This study investigates the potential of sulfuric acid modified wheat straw, polysaccharide-rich agricultural byproduct, as a low-cost adsorbent for the selective adsorption of Au(III) ions from aqueous solutions. The wheat straw was treated with concentrated sulfuric acid to enhance its surface properties and [...] Read more.
This study investigates the potential of sulfuric acid modified wheat straw, polysaccharide-rich agricultural byproduct, as a low-cost adsorbent for the selective adsorption of Au(III) ions from aqueous solutions. The wheat straw was treated with concentrated sulfuric acid to enhance its surface properties and functional groups, particularly sulfonic and oxygen-containing functional groups. Adsorption experiments were performed under various conditions, including acid concentrations ranging from 1.0 to 3.0 mol/L, contact times from 1 to 6 h, and initial Au(III) concentrations of 60.36, 90.0, and 150.0 mg/L. The highest adsorption efficiency, 99.0%, was achieved at an acid concentration of 1.0 mol/L. Furthermore, it was determined that an increase in the initial Au(III) concentration from 60.36 mg/L to 150.0 mg/L resulted in a 4.5 times increase in maximum adsorption capacity under optimal conditions. Kinetic modeling revealed that the adsorption process followed pseudo-second order kinetics, suggesting chemisorption as the rate-limiting step. Characterization techniques such as SEM/EDS, XRD, BET and XPS confirmed structural modification, surface sulfonating, and the successful adsorption and reduction of Au(III) to elemental gold (Au0) on the modified straw surface. This work demonstrates that modified wheat straw is a promising, effective, and low cost for the recovery of gold from low-concentration solutions and provides insight into the adsorption and reduction mechanisms at the molecular level. Full article
(This article belongs to the Special Issue Polysaccharides: From Synthesis to Applications)
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13 pages, 1631 KiB  
Article
Low-Cost Honeycomb Biomass Adsorbent for Efficient Pt Recovery from Automobile Catalyst Waste
by Rafał Olchowski, Patryk Szymczak and Ryszard Dobrowolski
Molecules 2025, 30(14), 2910; https://doi.org/10.3390/molecules30142910 - 10 Jul 2025
Viewed by 311
Abstract
Spent automobile catalysts can be an important source of platinum for industry applications. Low-cost and simple technologies for platinum recovery from this source are sought, especially involving the application of green adsorbents. Honeycomb biowaste can be an excellent candidate for this purpose; n-hexane-treated [...] Read more.
Spent automobile catalysts can be an important source of platinum for industry applications. Low-cost and simple technologies for platinum recovery from this source are sought, especially involving the application of green adsorbents. Honeycomb biowaste can be an excellent candidate for this purpose; n-hexane-treated honeycomb biowaste is therefore obtained for the first time. This material is characterized using several instrumental techniques, confirming the presence of O, N, and P heteroatoms on its surface and the complex morphology of its particles. The maximum static Pt(II)/Pt(IV) adsorption (46 mg/g and 60 mg/g, respectively) onto the n-hexane-extracted honeycomb biomass is reached at pH = 1.55 and a contact time of 50 h. The adsorption kinetics are best fitted to the pseudo-second-order model in both cases. The Langmuir model best described the Pt(II)/Pt(IV) adsorption isotherms on the studied material. Quantitative desorption of the Pt from the studied material is reached for 1 mol/L thiourea dissolved in HCl. The adsorption mechanism of Pt(IV) ions onto the obtained material is based mainly on the surface complexation reactions. The studied material is successfully applied for the first time for Pt(IV) removal from a spent automobile catalyst leachate. Full article
(This article belongs to the Special Issue Novel Adsorbents for Environmental Pollutants' Removal)
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29 pages, 2767 KiB  
Article
Closed-Loop Valorization of Annatto Seed Waste into Biochar: A Sustainable Platform for Phosphorus Adsorption and Safe Nutrient Recycling in Agro-Industries
by Diana Guaya, Camilo Piedra and Inmaculada Carmona
Molecules 2025, 30(13), 2842; https://doi.org/10.3390/molecules30132842 - 2 Jul 2025
Viewed by 462
Abstract
Valorizing agro-industrial waste into functional materials for environmental remediation and resource recovery is essential for advancing circular economy models. This study presents a novel closed-loop strategy to convert annatto (Bixa orellana) seed residues into biochar for phosphate recovery from aqueous solutions [...] Read more.
Valorizing agro-industrial waste into functional materials for environmental remediation and resource recovery is essential for advancing circular economy models. This study presents a novel closed-loop strategy to convert annatto (Bixa orellana) seed residues into biochar for phosphate recovery from aqueous solutions and real agro-industrial wastewater. A novel ternary modification with Fe, Zn, and Mn metals was applied to enhance the phosphate adsorption performance of the biochar. Materials were synthesized via pyrolysis at 600 °C and 700 °C, with ABC-M700 exhibiting the highest performance. Comprehensive characterization (FTIR, SEM–EDS, and XRF) confirmed the successful incorporation of metal (oxy)hydroxide functional groups, which facilitated phosphate binding. Adsorption studies revealed that ABC-M700 achieved a maximum phosphate removal capacity of 6.19 mg·g−1, representing a 955% increase compared to unmodified ABC-N700 (0.59 mg·g−1), and a 31% increase relative to ABC-M600 (4.73 mg·g−1). Physicochemical characterization indicated increased surface area, well-developed mesoporosity, and the formation of metal (oxy)hydroxide functionalities. ABC-M700 achieved a maximum adsorption capacity of 73.22 mg·g−1 and rapid kinetics, removing 95% of phosphate within 10 min and reaching equilibrium at 30 min. The material exhibited notable pH flexibility, with optimal performance in the range of pH 6–7. Performance evaluations using real wastewater from the same agro-industry confirmed its high selectivity, achieving 80% phosphate removal efficiency despite the presence of competing ions and organic matter. Phosphate fractionation revealed that 78% of adsorbed phosphate was retained in stable, metal-associated fractions. Although the material showed limited reusability, it holds potential for integration into nutrient recycling strategies as a slow-release fertilizer. These findings demonstrate a low-cost, waste-derived adsorbent with strong implications for circular economy applications and sustainable agro-industrial wastewater treatment. This study establishes a scalable model for agro-industries that not only reduces environmental impact but also addresses phosphorus scarcity and promotes resource-efficient waste management. Full article
(This article belongs to the Special Issue Porous Carbon Materials: Preparation and Application)
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29 pages, 5081 KiB  
Article
Production, Characterization, and Application of KOH-Activated Biochar from Rice Straw for Azo Dye Adsorption
by Megananda Eka Wahyu, Damayanti Damayanti and Ho Shing Wu
Biomass 2025, 5(3), 40; https://doi.org/10.3390/biomass5030040 - 1 Jul 2025
Viewed by 438
Abstract
This study explored the production and activation of biochar from rice straw residue for dye adsorption applications. Rice straw, a widely available but underutilized biomass, was processed to isolate lignin and generate biochar through pyrolysis at 450 °C and 550 °C. Activation using [...] Read more.
This study explored the production and activation of biochar from rice straw residue for dye adsorption applications. Rice straw, a widely available but underutilized biomass, was processed to isolate lignin and generate biochar through pyrolysis at 450 °C and 550 °C. Activation using chemical agents (e.g., KOH and NaOH) was performed to enhance surface area and porosity. Among the tested conditions, KOH activation at a char-to-agent ratio of 1:3 produced activated carbon at 800 °C with the highest BET surface area (835.2 m2/g), and high fixed carbon (44.4%) after HCl washing. Thermogravimetric analysis was used to investigate pyrolysis kinetics, with activation energies determined using the Kissinger, Flynn–Wall–Ozawa, and Kissinger–Akahira–Sunose models. The brown solid showed a higher activation energy (264 kJ/mol) compared to isolated lignin (194 kJ/mol), indicating that more energy is required for decomposition. The AC was evaluated for the adsorption of methylene blue (MB) and methyl orange (MO) from aqueous solutions. Both dyes followed the Langmuir isotherm model, indicating that monolayer adsorption occurred. The maximum adsorption capacities reached 222 mg/g for MB and 244 mg/g for MO at 303 K, with higher values at elevated temperatures. Adsorption followed a pseudo-second-order kinetic model and was governed by a physisorption mechanism, as supported by thermodynamic analysis (ΔH < 20 kJ/mol and Ea < 40 kJ/mol). These findings demonstrate that KOH-activated biochar from rice straw residue is a high-performance, low-cost adsorbent for dye removal, contributing to sustainable biomass utilization and wastewater treatment. Full article
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20 pages, 7908 KiB  
Article
DFT Study of PVA Biocomposite/Oyster Shell (CaCO3) for the Removal of Heavy Metals from Wastewater
by Jose Alfonso Prieto Palomo, Juan Esteban Herrera Zabala and Joaquín Alejandro Hernández Fernández
J. Compos. Sci. 2025, 9(7), 340; https://doi.org/10.3390/jcs9070340 - 1 Jul 2025
Viewed by 365
Abstract
The persistent contamination of aquatic environments by heavy metals, particularly Pb2+, Cd2+, and Cu2+, poses a serious global threat due to their toxicity, persistence, and bioaccumulative behavior. In response, low-cost and eco-friendly adsorbents are being explored, among which [...] Read more.
The persistent contamination of aquatic environments by heavy metals, particularly Pb2+, Cd2+, and Cu2+, poses a serious global threat due to their toxicity, persistence, and bioaccumulative behavior. In response, low-cost and eco-friendly adsorbents are being explored, among which CaCO3-based biocomposites derived from mollusk shells have shown exceptional performance. In this study, a hybrid biocomposite composed of poly(vinyl alcohol) (PVA) and oyster shell-derived CaCO3 was computationally investigated using Density Functional Theory (DFT) to elucidate the electronic and structural basis for its high metal-removal efficiency. Calculations were performed at the B3LYP/6-311++G(d,p), M05-2X/6-311+G(d,p), and M06-2X/6-311++G(d,p) levels using GAUSSIAN 16. Among them, B3LYP was identified as the most balanced in terms of accuracy and computational cost. The hybridization with CaCO3 reduced the HOMO-LUMO gap by 20% and doubled the dipole moment (7.65 Debye), increasing the composite’s polarity and reactivity. Upon chelation with metal ions, the gap further dropped to as low as 0.029 eV (Cd2+), while the dipole moment rose to 17.06 Debye (Pb2+), signaling enhanced charge separation and stronger electrostatic interactions. Electrostatic potential maps revealed high nucleophilicity at carbonate oxygens and reinforced electrophilic fields around the hydrated metal centers, correlating with the affinity trend Cu2+ > Cd2+ > Pb2+. Fukui function analysis indicated a redistribution of reactive sites, with carbonate oxygens acting as ambiphilic centers suitable for multidentate coordination. Natural Bond Orbital (NBO) analysis confirmed the presence of highly nucleophilic lone pairs and weakened bonding orbitals, enabling flexible adsorption dynamics. Furthermore, NCI/RDG analysis highlighted attractive noncovalent interactions with Cu2+ and Pb2+, while FT-IR simulations demonstrated the formation of hydrogen bonding (O–H···O=C) and Ca2+···O coordination bridges between phases. Full article
(This article belongs to the Special Issue Sustainable Biocomposites, 3rd Edition)
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20 pages, 2156 KiB  
Article
Efficient Removal of Toxic Heavy Metals on Kaolinite-Based Clay: Adsorption Characteristics, Mechanism and Applicability Perspectives
by Bianca-Elena Azanfire, Dumitru Bulgariu, Nicanor Cimpoeşu and Laura Bulgariu
Water 2025, 17(13), 1938; https://doi.org/10.3390/w17131938 - 28 Jun 2025
Viewed by 436
Abstract
In this study, kaolinite-based clay (Ka-Clay) was used as an adsorbent for the efficient removal of Pb(II), Cd(II) and Hg(II) ions from aqueous media. The selection of Pb(II), Cd(II) and Hg(II) ions for experimental studies took into account their high toxicity, while the [...] Read more.
In this study, kaolinite-based clay (Ka-Clay) was used as an adsorbent for the efficient removal of Pb(II), Cd(II) and Hg(II) ions from aqueous media. The selection of Pb(II), Cd(II) and Hg(II) ions for experimental studies took into account their high toxicity, while the choice of Ka-Clay, the ease of preparation and high availability of this material were the most important arguments. Ka-Clay exhibits high adsorption performance, with removal percents over 98% for Pb(II) and 93% for Cd(II), even at high concentrations of metal ions (over 150 mg/L, pH = 6.5, 4 g adsorbent/L, 21 ± 1 °C). For Hg(II) ions, the adsorption percent does not exceed 55%, and this moderate value is mainly due to the significant change in pH. The adsorption behavior was in accordance with the Langmuir model (R2 > 0.95) and the pseudo-second order kinetic model (R2 > 0.99), indicating an adsorption process that occurs mainly through chemical interactions at the adsorbent surface between the metal ions and the functional groups. Adsorption processes are spontaneous (ΔG = −8.66 ÷ −15.76 kJ/mol) and endothermic (ΔH = 7.09 ÷ 21.81 kJ/mol), and the adsorption mechanism is the results of elementary processes of electrostatic attraction, ion exchange and superficial complexation. The insignificant effect of other ions (Ca(II), Mg(II), Na(I), K(I)) present in real wastewater samples as well as the desorption behavior of exhausted adsorbent highlight the practical utility of this adsorbent on a large scale. The experimental results included in this study suggest that Ka-Clay can be used as a promising adsorbent for the removal of high concentrations of toxic heavy metals with low cost and high efficiency, and this can contribute to the design of a sustainable wastewater treatment method. Full article
(This article belongs to the Special Issue Advanced Adsorption Technology for Water and Wastewater Treatment)
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20 pages, 2206 KiB  
Article
Application of Carbon Materials Derived from Nocino Walnut Liqueur Pomace Residue for Chlorpyrifos Removal from Water
by Milena Zlatković, Rialda Kurtić, Igor A. Pašti, Tamara Tasić, Vedran Milanković, Nebojša Potkonjak, Christoph Unterweger and Tamara Lazarević-Pašti
Materials 2025, 18(13), 3072; https://doi.org/10.3390/ma18133072 - 28 Jun 2025
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Abstract
This study explores the use of carbon materials derived from Nocino walnut liqueur pomace residue for the removal of chlorpyrifos, a widely used organophosphate pesticide, from water. Carbon adsorbents were synthesized from young walnut biomass under different thermal and chemical treatment conditions, and [...] Read more.
This study explores the use of carbon materials derived from Nocino walnut liqueur pomace residue for the removal of chlorpyrifos, a widely used organophosphate pesticide, from water. Carbon adsorbents were synthesized from young walnut biomass under different thermal and chemical treatment conditions, and their structural and surface properties were characterized using BET analysis, FTIR, SEM-EDX, Boehm titration, and zeta potential measurements. The materials exhibited distinct textural and chemical features, including high surface areas and varied surface functionalizations. Batch adsorption studies revealed that the chlorpyrifos removal followed pseudo-second-order kinetics and was best described by the Freundlich and Langmuir isotherms, indicating a combination of pore filling and physisorption via π-π and van der Waals interactions. The highest adsorption capacity of 45.2 ± 0.2 mg g−1 was achieved at 30 °C. Thermodynamic analysis confirmed the process to be endothermic, spontaneous, and entropy-driven, with desolvation effects enhancing the performance at elevated temperatures. Dynamic filtration experiments validated the practical applicability of the materials, while moderate reusability was achieved through ethanol-based regeneration. These findings demonstrate the potential of walnut pomace-derived carbons as low-cost, renewable, and effective adsorbents for sustainable water decontamination. Full article
(This article belongs to the Section Carbon Materials)
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