Search Results (3,643)

This paper discusses the integrated technology of CO₂ adsorption and catalysis, which combines adsorption and catalytic conversion, simplifies the traditional process, reduces energy consumption, and improves efficiency. The traditional carbon capture technology has the problems of high energy consumption, equipment corrosion, and absorbent loss, while the integrated technology realizes the adsorption, conversion, and catalyst regeneration of CO₂ in a single reaction system, avoiding complex desorption steps. Through micropore confinement and surface electron transfer mechanism, the technology improves the reactant concentration and mass transfer efficiency, reduces the activation energy, and realizes the low-temperature and high-efficiency conversion of CO₂. In terms of materials, MOF-based composites, alkali metal modified oxides, and carbon-based hybrid materials show excellent performance, helping to efficiently adsorb and transform CO₂. However, the design and engineering of reactors still face challenges, such as the development of new moving bed reactors. This technology provides a new idea for CO₂ capture and resource utilization and has important environmental significance and broad application prospects. Full article

Dye residues from the textile industry constitute a critical wastewater problem. This study aimed to evaluate the removal capacity of methylene blue (MB) in aqueous media, using an adsorbent formulated from activated and sonicated nanoclay (NC) and microatomized Nostoc sphaericum (ANS). NC was obtained by acid treatment, followed by activation with 1 M NaCl and sonication, while ANS was obtained by microatomization in an aqueous medium. NC/ANS was mixed in a 4:1 weight ratio. The NC/ANS synergistic adsorbent was characterized by the point of zero charge (PZC), zeta potential (ζ), particle size, FTIR spectroscopy, and scanning electron microscopy (SEM). NC/ANS exhibited good colloidal stability, as determined by pH_PZC, particle size in the nanometer range, and heterogeneous morphology with functional groups (hydroxyl, carboxyl, and amide), removing between 72.59 and 97.98% from an initial concentration of 10 ppm of MB, for doses of 20 to 30 mg/L of NC/ANS and pH of 5 to 8. Optimal adsorption conditions are achieved at pH 6.8 and 32.9 mg/L of adsorbent NC/ANS. It was observed that the pseudo-first-order (PFO) and pseudo-second-order (PSO) kinetic models best described the adsorption kinetics, indicating a predominance of the physisorption process, with adsorption capacity around 20 mg/g. Isotherm models and thermodynamic parameters of adsorption, ΔS, ΔH, and ΔG, revealed that the adsorption process is spontaneous, favorable, thermodynamically stable, and occurs at the monolayer level, with a regeneration capacity of 90.35 to 37.54% at the fifth cycle. The application of physical activation methods, such as sonication of the clay and microatomization of the algae, allows proposing a novel and alternative synergistic material from organic and inorganic sources that is environmentally friendly and promotes sustainability, with a high capacity to remove cationic dyes in wastewater. Full article

Divinylisoprene rubber, a copolymer of butadiene and isoprene, is used as raw material for rubber technical products, combining isoprene rubber’s elasticity and butadiene rubber’s wear resistance. These properties depend quantitatively on the copolymer composition, which depends on the kinetics of its synthesis. This work aims to theoretically describe how the monomer mixture composition in the butadiene–isoprene copolymerization affects the activity of the TiCl₄-Al(i-C₄H₉)₃ catalytic system (expressed by active sites concentration) via kinetic modeling. This enables development of a reliable kinetic model for divinylisoprene rubber synthesis, predicting reaction rate, molecular weight, and composition, applicable to reactor design and process intensification. Active sites concentrations were calculated from experimental copolymerization rates and known chain propagation constants for various monomer compositions. Kinetic equations for active sites formation were based on mass-action law and Langmuir monomolecular adsorption theory. An analytical equation relating active sites concentration to monomer composition was derived, analyzed, and optimized with experimental data. The results show that monomer composition’s influence on active sites concentration is well described by a two-step kinetic model (physical adsorption followed by Ti–C bond formation), accounting for competitive adsorption: isoprene adsorbs more readily, while butadiene forms more stable active sites. Full article

Porous materials are characterized by the pore surface area (S) and volume (V) accessible to a confined fluid. For mesoporous materials NMR measurements of diffusion are used to assess the S/V ratio, because at short times, only the diffusivity of molecules in the adsorbed layer is affected by confinement and the fractional population of these molecules is proportional to the S/V ratio. For materials with sub-nanometer pores, this might not be true, as the adsorbed layer can encompass the entire pore volume. Here, using molecular simulations, we explore the role played by S and S/V in determining the dynamical behavior of two carbon-bearing fluids—CO₂ and ethane—confined in sub-nanometer pores of silica. S and V in a silicalite model representing a sub-nanometer porous material are varied by selectively blocking a part of the pore network by immobile methane molecules. Three classes of adsorbents were thus obtained with either all of the straight (labeled ‘S-major’) or zigzag channels (‘Z-major’) remaining open or a mix of a fraction of both types of channel blocked, resulting in half of the total pore volume being blocked (‘Half’). While the adsorption layers from opposite surfaces overlap, encompassing the entire pore volume for all pores except the intersections, the diffusion coefficient is still found to be reduced at high S/V, especially for CO₂, albeit not so strongly as would be expected in the case of wider pores. This is because of the presence of channel intersections that provide a wider pore space with non-overlapping adsorption layers. Full article

Hydrogen energy holds immense potential to address the global energy crisis and environmental challenges. However, its large-scale application is severely hindered by the lack of efficient hydrogen storage materials. This study systematically investigates the H₂ adsorption properties of intrinsic C₂₆ fullerene and Li-decorated C₂₆ fullerene using density functional theory (DFT) calculations. The results reveal that Li atoms preferentially bind to the H_5-5 site of C₂₆, driven by significant electron transfer (0.90 |e|) from Li to C₂₆. This electron redistribution modulates the electronic structure of C₂₆, as evidenced by projected density of states (PDOS) analysis, where the p orbitals of C atoms near the Fermi level undergo hybridization with Li orbitals, enhancing the electrostatic environment for H₂ adsorption. For Li-decorated C₂₆, the average adsorption energy and consecutive adsorption energy decrease as more H₂ molecules are adsorbed, indicating a gradual weakening of adsorption strength and signifying a saturation limit of three H₂ molecules. Charge density difference and PDOS analyses further demonstrate that H₂ adsorption induces synergistic electron transfer from both Li (0.89 |e| loss) and H₂ (0.01 |e| loss) to C₂₆ (0.90 |e| gain), with orbital hybridization between H s orbitals, C p orbitals, and Li orbitals stabilizing the adsorbed system. This study aimed to provide a comprehensive understanding of the microscopic mechanism underlying Li-enhanced H₂ adsorption on C₂₆ fullerene and offer insights into the rational design of metal-decorated fullerene-based systems for efficient hydrogen storage. Full article

Heavy metal contamination in natural waters and soils poses a significant environmental challenge, necessitating efficient and sustainable water treatment solutions. This study presents the computational design of low-density polyethylene (LDPE) films functionalized with iron oxide (Fe₃O₄) nanoparticles (NPs) for enhanced water purification applications. Composite materials containing 5%, 10%, and 15% were synthesized and characterized in terms of adsorption efficiency, surface morphology, and reusability. Advanced molecular modeling using BIOVIA Pipeline was employed to investigate charge distribution, functional group behaviour, and atomic-scale interactions between polymer chains and metal ions. The computational results revealed structure–property relationships crucial for optimizing adsorption performance and understanding geochemically driven interaction mechanisms. The LDPE/Fe₃O₄ composites demonstrated significant removal efficiency of Cu²⁺ and Ni²⁺ ions, along with favourable mechanical properties and regeneration potential. These findings highlight the synergistic role of mineral–polymer interfaces in water remediation, presenting a scalable approach to designing multifunctional polymeric materials for environmental applications. This study contributes to the growing field of polymer-based adsorbents, reinforcing their value in sustainable water treatment technologies and environmental protection efforts. Full article

The recovery and abatement of volatile organic compounds (VOCs) have received increasing attention due to their significant environmental and health impacts. Supported sulfonic acid materials have shown great potential in converting aromatic VOCs into their non-volatile derivatives through reactive adsorption. However, the anchoring state of sulfonic acid groups, which is closely related to the properties of the support, greatly affects their performance. In this study, two supported sulfonic acid materials, SZO and SMO, were prepared by treating ZrO₂ and MgO with chlorosulfonic acid, respectively, to investigate the influence of the support properties on the anchoring state of sulfonic acid groups and their reactive adsorption performance for o-xylene. The supports, adsorbents, and adsorption products were extensively characterized, and the reactivity of SZO and SMO towards o-xylene was systematically compared. The results showed that sulfonic acid groups are anchored on the ZrO₂ surface through covalent bonding, forming positively charged sulfonic acid sites ([O_1.5Zr-O]^δ−-SO3H^δ+) with a loading of 3.6 mmol/g. As a result, SZO exhibited excellent removal efficiency (≥91.3%) and high breakthrough adsorption capacity (ranging from 38.59 to 82.07 mg/g) for o-xylene in the temperature range of 130 –150 °C. In contrast, sulfonic acid groups are anchored on the MgO surface via ion-paired bonding, leading to the formation of negatively charged sulfonic acid sites ([O_0.5Mg]⁺:OSO₃H⁻), which prevents their participation in the electrophilic sulfonation reaction with o-xylene molecules. This work provides new insights into tuning and enhancing the performance of supported sulfonic acid materials for the resource-oriented treatment of aromatic VOCs. Full article

Using common corn stalks as raw materials, a functional dense-structured carbon microsphere with good elastic deformation and certain rigid support was modified from biomass through a step-by-step hydrothermal method. The composition, thermal stability, fluid-loss reduction performance, and reservoir protection performance of the modified carbon microspheres were studied. Research indicates that after hydrothermal treatment, under the multi-level structural action of a small amount of proteins in corn stalks, the naturally occurring cellulose, polysaccharide organic compounds, and part of the ash in the stalks are adsorbed and encapsulated within the long-chain network structure formed by proteins and cellulose. By attaching silicate nanoparticles with certain rigidity from the ash to the relatively stable chair-type structure in cellulose, functional dense-structured carbon microspheres were ultimately prepared. These carbon microspheres could still effectively reduce fluid loss at 200 °C. The permeability recovery value of the cores treated with modified biomass carbon microspheres during flowback reached as high as 88%, which was much higher than that of the biomass itself. With the dense network-like chain structure supplemented by small-molecule aldehydes and silicate ash, the subsequent invasion of drilling fluid was successfully prevented, and a good sealing effect was maintained even under high-temperature and high-pressure conditions. Moreover, since this functional dense-structured carbon microsphere achieved sealing through a physical mechanism, it did not cause damage to the formation, showing a promising application prospect. Full article

Excessive phosphate from agriculture and industry has led to widespread eutrophication, posing a serious environmental threat. To address this issue, metal-modified biochars have emerged as promising adsorbents due to their high affinity for phosphate ions. This study investigates the application of two magnesium-modified biochar hydrogels denoted as magnesium–bamboo biochar hydrogel (Mg-BBH) and magnesium–pulp biochar hydrogel (Mg-PBH) for phosphate recovery from aqueous solutions, with an additional aim as slow-release fertilizers. The adsorbents were synthesized by impregnating Mg-modified biochars into sodium-alginate-based hydrogel. The influence of initial phosphate concentration, contact time, and temperature were investigated to determine optimal adsorption conditions. Both adsorbents exhibited excellent adsorption performance, with maximum capacities of 309.96 mg PO₄/g (Mg-BBH) and 234.69 mg PO₄/g (Mg-PBH). Moreover, the adsorption performance of the adsorbents was greatly influenced by the magnesium content. The adsorption process followed the Temkin isotherm and pseudo-second-order kinetics, suggesting that the adsorption energy decreases proportionally with surface coverage and the phosphate uptake was governed by chemisorption. Thermodynamic study confirmed the process was spontaneous and endothermic at 40 °C. A slow-release study further demonstrated a great release of phosphate in soil over time. These findings highlight the dual functionality of Mg-BBH and Mg-PBH as effective materials for both phosphate recovery and controlled nutrient delivery, contributing to sustainable phosphate management. Full article

A triphenylphosphine-functionalized silica gel material, optimized for lead adsorption, was synthesized via a one-pot sol–gel reaction and characterized using FTIR and solid-state ¹³C and ²⁹Si NMR and XPS spectroscopy. The interaction between lead cations and phosphine groups was evaluated using the ³¹P NMR chemical shift tensor as a sensor. Two distinct types of phosphine groups, exhibiting different rotational mobility behaviors, were identified, with their ratio influenced by the presence of lead cations. These results suggest that the adsorption behavior of lead on this functionalized silica gel adsorbent can be directly evaluated by its lead–phosphorus interaction. This association was corroborated by the shifting of the binding energies of phosphorus functional groups after lead uptake in the XPS analysis. Full article

Melamine sponges have demonstrated significant application potential in the field of adsorption materials due to their unique three-dimensional porous network structure, excellent chemical/mechanical stability, and abundant amino active sites on the surface. However, the development of modified melamine sponges with efficient Congo red dye removal capabilities remains a substantial challenge. In this study, a stable linear polymer network structure was constructed on the surface of melamine sponges via an in situ polymerization strategy based on the Schiff base reaction mechanism. Characterization analyses reveal that the modified sponge not only retained the original porous skeleton structure but also significantly enhanced the density of surface active sites. Experimental data demonstrate that the modified sponge exhibited excellent adsorption performance for Congo red dye, with the adsorption process conforming to the pseudo-second-order kinetic model and achieving a practical maximum adsorption capacity of 380.4 mg/g. Notably, the material also displayed favorable cyclic stability. This study provides an efficient adsorbent for Congo red dye-contaminated wastewater treatment through the development of a novel surface-functionalized sponge material while also offering new solutions for advancing the practical applications of melamine-based porous materials and environmental remediation technologies. Full article

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

A comparison of two synthesis methods for depositing Au nanoparticles onto TiO₂ was performed: (1) impregnation with HAuCl₄ followed by thermal treatment in argon, and (2) magnetron sputtering from a Au disc. The obtained materials were used for acetaldehyde decomposition in a high temperature reaction chamber and ch aracterised by UV-Vis/DR, XPS, XRD, SEM, and photoluminescence measurements. The process was carried out using an air/acetaldehyde gas flow under UV or UV-Vis LED irradiation. The mechanism of acetaldehyde decomposition and conversion was elaborated by in situ FTIR measurements of the photocatalyst surface during the reaction. Simultaneously, concentration of acetaldehyde in the outlet gas was monitored using gas chromatography. All the Au/TiO₂ samples showed absorption in the visible region, with a maximum around 550 nm. The plasmonic effect of Au nanoparticles was observed under UV-Vis light irradiation, especially at elevated temperatures such as 100 °C, for Au/TiO₂ prepared by the magnetron sputtering method. This resulted in a significant increase in the conversion of acetaldehyde at the beginning, followed by gradual decrease over time. The collected FTIR spectra indicated that, under UV-Vis light, acetaldehyde was strongly adsorbed onto Au/TiO₂ surface and formed crotonaldehyde or aldol. Under UV, acetaldehyde was mainly adsorbed in the form of acetate species. The plasmonic effect of Au nanoparticles increased the adsorption of acetaldehyde molecules onto TiO₂ surface, while reducing their decomposition rate. The increased temperature of the process enhanced the decomposition of the acetaldehyde. Full article

The need for renewable and eco-friendly materials is driving the increasing demand for biobased polymers for food applications, with cellulose emerging as a promising option due to its degradability and environmental sustainability. Therefore, in the present study, a strategy to obtain cellulose-based materials with antimicrobial properties was explored by using a selected antimicrobial peptide named RKT1, which was stably and efficiently tethered to cellulose films via physical adsorption, harnessing the high number of functional groups on the polymeric surface. Firstly, the peptide, identified among the previous or new projected compounds, was structurally and functionally characterized, evidencing high conformational stability under a wide range of environmental conditions and efficient antibacterial activity against the foodborne pathogens Escherichia coli, Salmonella Typhimurium, and Listeria monocytogenes and the spoilage bacteria Enterococcus and Pseudomonas koreensis, all isolated from meat products. Moreover, in an extended application, the RKT1-activated cellulose films were tested in vivo on beef carpaccio. The results supported their effectiveness in increasing the shelf life of carpaccio by least two days without affecting its organoleptic properties. Therefore, RKT1, physically adsorbed on cellulose, still retains its activity, and the newly generated biopolymers show potential for use as a green food packaging material. Full article

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