Search Results (38)

This study addresses the challenge of separating powdered zeolite adsorbents by developing biomass-supported composites via in situ crystallization of zeolites NaA (LTA) and NaX (FAU) within lead tree wood. Wood was mixed with precursor gels and subjected to hydrothermal treatment, yielding composites and external zeolite powders. Phase formation and morphology were confirmed by X-ray diffraction, scanning electron microscopy, and thermogravimetric analysis. The zeolite content in the composites was estimated from TGA to be approximately 10 wt.% for LTW–NaA and ~2 wt.% for LTW–NaX. Cu(II) adsorption was evaluated under controlled conditions and analyzed using Langmuir and Freundlich models together with Giles classification. The NaA powder showed the highest capacity (q_m ≈ 210 mg g⁻¹), while composite performance reflected zeolite loading. When normalized by zeolite mass, the composites exhibited comparable or enhanced capacities relative to powders, suggesting improved accessibility of active sites. NaA-based materials displayed H-type isotherms, whereas NaX-based materials showed L-type behavior, indicating different adsorption mechanisms. These results demonstrate that framework topology and biomass confinement jointly influence adsorption and that the composites are promising, easily recoverable adsorbents, with further work required to assess regeneration and long-term stability. Full article

In order to solve the problems of low calorific value and pipeline corrosion caused by high concentration of CO₂ in oil-associated gas, and promote the resource utilization of associated gas, this study used validated grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulation to investigate the adsorption characteristics of 11 different topological structures (straight-channel MFI/BEA, cage-channel LTA/FAU/CHA) and cation types (Ca²⁺, Na⁺, H⁺) of commercial zeolites for CO₂ and alkanes (CH₄, C₂H₆, C₃H₈) at 0%~90% RH. The results showed that the CO₂ adsorption capacity of all zeolites decreased with increasing humidity, but straight-channel zeolites (ZSM5-300, BETA-25) had excellent moisture resistance, with only a 20.8% and 30.6% decrease in capacity at 90% RH, respectively. The performance of cage-channel zeolite drops sharply under high humidity. Topology structure and cation synergistically regulate separation efficiency, maintaining stable diffusion order in straight channels. Ca²⁺ enhances dry state capacity but is prone to hydrophilic failure. The adsorption heat of CO₂ on straight-channel zeolite is 25–38 kJ/mol, resulting in lower regeneration energy consumption. ZSM5-300 is preferred for PSA (CH₄/CO₂ kinetic separation coefficient of 809.52 at 90% RH), and NaFAU is preferred for TSA (CO₂ adsorption capacity of 3.6 mmol/g and selectivity of 502.6 at 90% RH). This study clarifies the core structure-activity relationship and provides key theoretical support for the decarbonization of oil-associated gas. Full article

The efficient separation of H₂ from CH₄ is crucial for hydrogen purification from industrial off-gases using pressure swing adsorption (PSA). In this study, the competitive adsorption behavior of H₂/CH₄ on LTA zeolites was systematically investigated via grand canonical Monte Carlo (GCMC) simulations, with a focus on the effects of cation type (Na⁺, Li⁺, Ca²⁺, Mg²⁺), Si/Al ratio (1–1.5), temperature (298–318 K), and pressure (0.2–2 MPa). The results reveal that CH₄ favors β-cages as excellent adsorption sites with high population density, followed by the regions adjacent to the cations or framework oxygen atoms of the eight-membered rings. In contrast, H₂ is uniformly distributed throughout all the channels. Cations with higher valence and smaller ionic radii (e.g., Mg²⁺) enhance CH₄ adsorption capacity and diffusion more effectively than monovalent or larger cations. Increasing the Si/Al ratio reduces cation content and exposes more framework oxygen atoms, particularly those in Si–O–Si environments, which improve CH₄ adsorption. Elevated temperature weakens CH₄ adsorption while promoting H₂ diffusion and pore occupancy. Although higher pressure increases the uptake of both gases, H₂ adsorption rises more substantially and distributes more widely, leading to a decrease in CH₄/H₂ selectivity. Full article

This study presents an approach to synthesizing LTA-type zeolite from spodumene residue generated during a lithium extraction process. A residue was obtained after leaching β-spodumene with 2 mol/L phosphoric acid. After solid–liquid separation, the delithiated residue was first treated with 2 mol/L sodium hydroxide and then subjected to hydrothermal synthesis using sodium aluminate as an additional aluminum source. The resulting material was characterized by XRD, SEM-EDS, XPS, and FTIR, which collectively confirmed the formation of a crystalline material exhibiting the structural features, elemental composition, and morphological characteristics consistent with LTA-type zeolite. Additional analyses, including BET surface area, particle size distribution, and zeta potential measurements, were performed to further evaluate the physicochemical properties of the synthesized zeolite. The spodumene leach residue (SLR)-derived zeolite was further tested for its adsorption performance in heavy metal ions removal from a mixed ion solution containing Pb²⁺, Cu²⁺, Zn²⁺, and Ni²⁺ ions. The zeolite demonstrated a high selectivity for Pb²⁺, followed by moderate uptake of Cu²⁺, while Zn²⁺ and Ni²⁺ adsorption was minimal. These findings demonstrate that spodumene residue, a waste by-product of lithium processing, can be effectively upcycled into LTA zeolite suitable for heavy metal remediation in water treatment applications. Full article

In this work, zeolite LTA (Linde Type A) was synthesised from natural clay as a novel adsorbent for copper and lead ions removal from water effluents. The applied process allowed the reuse of kaolin, as natural clay, for the production of zeolite LTA through a stepwise process, which involved the formation of metakaolin. The results of characterisation showed the formation of crystalline cubic crystals of zeolite with a mean dimension of 2–3 microns, indicating the successful nucleation and development of the LTA zeolite phase. Batch adsorption studies were carried out to study the removal ability of zeolite LTA by testing Cu²⁺ and Pb²⁺ ions. Effects of contact time, pH, and adsorbent dosage were investigated. At pH > 5, the removal efficiency for both metals exceeded 95%. As the zeolite dosage increases from 2 to 10 g/L, the removal effectiveness for both metals markedly enhances (>95% at 10 g/L for lead ions and >90% at 10 g/L for copper ions). The adsorbent showed a higher adsorption capacity in removing lead compared to copper (Q_m = 81.5 mg/g for Pb²⁺ and 67.5 mg/g for Cu²⁺). The adsorption process was well described by the pseudo-second-order kinetic model, while the Langmuir isotherm adequately depicted the equilibrium behavior. Notably, the kinetics revealed distinct contributions from chemisorption and physisorption, with the AOAS model effectively quantifying their respective roles in metal ion removal. The findings revealed that prepared zeolite LTA acts as an efficient adsorbent to remove heavy metals. Full article

Understanding the adsorption mechanism is essential for developing efficient technologies to capture carbon dioxide from industrial flue gases. In this work, laboratory measurements, density functional theory calculations, and molecular dynamics simulations were employed to study CO₂ adsorption and diffusion behavior in LTA-type zeolites. The CO₂ adsorption isotherms measured in zeolite 5A are best described by the Toth model. Thermodynamic analysis indicates that the adsorption process is spontaneous and exothermic, with an enthalpy change of −44.04 kJ/mol, an entropy change of −115.23 J/(mol·K), and Gibbs free energy values ranging from −9.68 to −1.03 kJ/mol over the temperature range of 298–373 K. The isosteric heat of CO₂ adsorption decreases from 40.35 to 21.75 kJ/mol with increasing coverage, reflecting heterogeneous interactions at Ca²⁺ and Na⁺ sites. The adsorption kinetics follow a pseudo-first-order model, with an activation energy of 2.24 kJ/mol, confirming a physisorption mechanism. The intraparticle diffusion model indicates that internal diffusion is the rate-limiting step, supported by a significant reduction in the diffusion rate. The DFT calculations demonstrated that CO₂ exhibited a −35 kJ/mol more negative adsorption energy in zeolite 5A than in zeolite ITQ-29, attributable to strong interactions with Ca²⁺/Na⁺ cations in 5A that were absent in the pure silica ITQ-29 framework. The molecular dynamics simulations based on molecular force fields indicate that CO₂ diffuses more rapidly in ITQ-29, with a diffusion coefficient measuring 2.54 × 10⁻⁹ m²/s at 298 K, whereas it was 1.02 × 10⁻⁹ m²/s in zeolite 5A under identical conditions. The activation energy for molecular diffusion reaches 5.54 kJ/mol in zeolite 5A, exceeding the 4.12 kJ/mol value in ITQ-29 by 33%, which accounts for the slower diffusion kinetics in zeolite 5A. There is good agreement between experimental measurements and molecular simulation results for zeolite 5A across the studied temperature and pressure ranges. This confirms the accuracy and reliability of the selected simulation parameters and allows for the study of zeolite ITQ under similar simulation conditions. This research provides insights into CO₂ adsorption energetics and diffusion within LTA-type zeolite frameworks, supporting the rational design of high-performance adsorbents for industrial gas separation. Full article

Understanding the competitive adsorption mechanism is essential for the development of adsorptive separation of ethylene (C₂H₄) and ethane (C₂H₆). In this work, density functional theory calculations and molecular dynamics simulations were employed to investigate the adsorption of C₂H₄ and C₂H₆ in two LTA-type zeolites, ITQ-29 and 5A. The results show that the adsorption energies of the gas molecules in zeolite 5A are more negative than in ITQ-29, and the difference in adsorption energy between C₂H₄ and C₂H₆ in zeolite 5A is significantly larger than in ITQ-29, 13.3 versus 6.2 kJ/mol. Zeolite ITQ-29 demonstrates high C₂H₄/C₂H₆ ideal selectivity (43.5 at 5 ns) while exhibiting slow C₂H₄ uptake efficiency due to the small pore windows, hindering C₂H₄ diffusion (1.05 × 10⁻¹⁰ m²/s at 298 K). In contrast, zeolite 5A facilitates the faster diffusion of C₂H₄ molecules (3.25 × 10⁻⁹ m²/s at 298 K) and exhibits a modest C₂H₄/C₂H₆ selectivity of 1.11 at 5 ns in single-gas adsorption and 2.72 in equimolar binary mixture adsorption. To enhance C₂H₄/C₂H₆ selectivity, methyl phosphonic acid is introduced onto zeolite 5A to add a sieving layer that enables the C₂H₄ molecules to preferentially permeate, and the optimal coverage of methyl phosphonic acid is 50%, yielding a C₂H₄/C₂H₆ selectivity of 17.5 at 5 ns in mixture adsorption and preserving the C₂H₄ uptake efficiency. The insights into the competitive diffusion of molecules in the coating layer and inside the zeolites provide a theoretical basis for the rational design of high-performance adsorbents. Full article

This study presents a groundbreaking method for extracting lithium from beta-spodumene while simultaneously achieving the sustainable synthesis of LTA-type zeolite, designated as LPM-15, without relying on organic solvents or calcination. Lithium extraction was efficiently performed using sodium salts, accompanied by the recycling of the mother liquor, with lithium content in the supernatant precisely quantified via atomic absorption spectroscopy (AAS). The optimized synthesis route enables the concurrent production of Li₂CO₃ and LPM-15, distinguished by a powdered appearance without a well-defined geometric framework and a unique cubic morphology with spherical facets, respectively. To gain deeper insights into the process, density functional theory (DFT) simulations were conducted to analyze how different cation exchanges (Na⁺ replacing Al³⁺, NH₄⁺ replacing Al³⁺, and Ca²⁺ replacing Al³⁺) influence the structural stability and diffusion dynamics within the zeolitic pores of LPM-15. Additionally, cation-exchange capacity (CEC) measurements further assessed ion mobility within the LPM-15 framework. This integrative approach not only sheds light on the fundamental mechanisms underpinning LTA-type zeolite synthesis but also demonstrates their versatile applications, with particular emphasis on water purification technologies. Full article

The purification and removal of polar impurities in olefin feedstocks is crucial for downstream deep processing, and adsorption is the main method for deep purification of such impurities. This article takes dimethyl ether, a typical oxygen-containing compound impurity in MTOs, as a polar impurity molecule, and LTA and FAU topological zeolites as research objects. The influence of zeolite topology, morphology, skeleton silicon–aluminum (Si/Al) ratio, and ion type on the adsorption and removal of trace dimethyl ether was investigated by XRD, SEM, XRF, and nitrogen adsorption–desorption methods. The FAU topological zeolites show a better adsorption performance for dimethyl ether owing to their larger specific surface area and unobstructed pores compared with LTA zeolites. Among FAU topological zeolites, the NaX zeolite a with lower framework silica–alumina ratio has the highest adsorption capacity for dimethyl ether. Magnesium ion exchange on NaX zeolites (MgNaX) reduce the specific surface area and adsorption capacity of the NaX zeolite. However, after forming with alumina as a binder, the adsorption capacity of the MgNaX–Al₂O₃ adsorbent is about 13% higher than that of the NaX–Al₂O₃ adsorbent without Mg ion exchange. This may be due to the decomposition of residual organic Mg salts in the Mg ion exchange samples during high-temperature calcination, resulting in a larger specific surface area for the formed adsorbent. Further characterization of NH₃–TPD and CO₂–TPD shows that Mg ion exchange weakens the acid–base active sites on the adsorbent surface. The reduction in acid–base sites reduces the occurrence of side reactions such as polymerization and isomerization caused by the exothermic adsorption of olefins on adsorbents. Repeated adsorption data show that the formed adsorbent has excellent regeneration–adsorption performance. Full article

A zeolitic sample, named MT-ZLSH, was synthesized using mining tailings (MT) as the precursor material, resulting in a structure comprising: Linde type A (LTA) and sodalite-hydroxysodalite (ZLSH). This naming convention reflects the material’s origin and its structural characteristics. The material was further modified by incorporating lithium, producing MT-ZLSH-Li⁺. Physicochemical characterizations were performed, and the material was evaluated for its potential to remove methylene blue (MB) from synthetic wastewater through adsorption and photocatalysis. Efficient adsorption was observed under typical wastewater pH conditions, with a maximum adsorption capacity of 23.4 mg·g⁻¹, which fit well with the Langmuir isotherm model. The key mechanisms governing MB adsorption were identified as ion exchange, electrostatic attraction, and hydrogen bonding. The adsorption process was exothermic, with kinetic data fitting both the pseudo-second order and intraparticle diffusion models, achieving 82% removal and a maximum adsorption capacity of 40 mg·g⁻¹ over 12 h. MB adsorption followed a two-step process, initially involving film diffusion, followed by intraparticle diffusion. Additionally, photocatalytic degradation of MB achieved 77% degradation within 180 min. However, a decrease in reusability was observed during a second cycle of MB adsorption and photodegradation, highlighting the need for further optimization to enhance the material’s long-term performance. Full article

In recent years, the demand for natural and synthetic zeolites has surged due to their distinctive properties and myriad industrial applications. This research aims to synthesise crystalline zeolites by co-recycling two industrial wastes: salt slag (SS) and rice husk ash (RHA). Salt slag, a problematic by-product of secondary aluminium smelting, is classified as hazardous waste due to its reactive and leachable nature, though it is rich in aluminium. Conversely, RHA, an abundant and cost-effective by-product of the agro-food sector, boasts a high silicon content. These wastes were utilised as aluminium and silicon sources for synthesising various zeolites. This study examined the effects of temperature, ageing time, and sodium concentration on the formation of different zeolite phases and their crystallinity. Results indicated that increased Na⁺ concentration favoured sodalite (SOD) zeolite formation, whereas Linde type–A (LTA) zeolite formation was promoted at higher temperatures and extended ageing times. The formation range of the different zeolites was defined and supported by crystallographic, microstructural, and morphological analyses. Additionally, the thermal behaviour of the zeolites was investigated. This work underscores the potential to transform industrial waste, including hazardous materials like salt slag, into sustainable, high-value materials, fostering efficient waste co-recycling and promoting clean, sustainable industrial production through cross-sectoral industrial symbiosis. Full article

For industrial tail gas to be converted into high-purity hydrogen, the H₂-N₂ mixture needs to be separated efficiently. This work examined the adsorption characteristics and competitive mechanisms of H₂ and N₂ on LTA- and FAU-type zeolites, at 77 K, 298 K, and 0.1–10 bar by thoroughly analyzing results of adsorption capacity experiments and molecular simulations. In the Grand Canonical Monte Carlo (GCMC) simulations, the force field causing a molecular dipole of H₂ and the polarization force field of N₂ are first applied. The accuracy of the force field was experimentally verified. The findings indicate that N₂ and H₂ loading on Ca-FAU (Ca-LTA) are higher than Na-FAU (Na-LTA). On NaX at 77 K, the highest adsorption selectivity (N₂/H₂) is observed; on NaA at 298 K, it is the opposite. The GCMC data findings demonstrate that H₂ and N₂ have remarkably similar adsorption sites, with framework oxygen atoms and non-framework cations serving as the main adsorption sites for adsorbate molecules. Furthermore, the rate at which H₂ diffuses is higher than that of N₂. The study of redistribution charge before and after adsorption demonstrated that N₂ has a greater affinity for the framework oxygen atoms than H₂. This study provides a molecular theoretical foundation for the adsorption behavior of H₂-N₂ mixture in zeolites. Full article

Zeolites have a well-ordered crystalline network with pores controlled in the synthesis process. Their composition comprises silicon and aluminum, so industrial residues with this composition can be used for the synthesis of zeolites. The use of zeolites for CO₂ adsorption is feasible due to the characteristics that these materials have; in particular, zeolites with a low Si/Al ratio have greater gas adsorption capacities. In this work, the synthesis of LTA (Linde Type A) zeolites from silica fumes obtained from the industrial LIASA process and light coal ash is presented. We explore three different synthesis routes, where the synthesized materials undergo cation exchange and are applied in CO₂ adsorption processes. Studying the synthesis processes, it is observed that all materials present characteristic diffractions for the LTA zeolite, as well as presenting specific areas between 6 and 19 m²/g and average pore distributions of 0.50 nm; however, the silica fume yielded better synthesis results, due to its lower impurity content compared to the light coal ash (which contains impurities such as quartz present in the zeolite). When applied for CO₂ adsorption, the standard materials after cation exchange showed greater adsorption capacities, followed by the zeolites synthesized from silica fume and, finally, the zeolites synthesized from coal ash. By analyzing the selectivity of the materials for CO₂/N₂, it is observed that the materials in sodium form present greater selectivity when compared to the calcium-based materials. Full article

Environmentally friendly powder coatings which have the advantages of being VOC-free, low-cost, and high-efficiency with a high recovery rate have been attracting increasing research attention. The introduction of antibacterial agents into the powder coatings endows them with a capacity to kill bacteria and viruses on the surface of objects; additionally, this enables them to inhibit the indirect transmission of pathogenic microorganisms. Silver, possessing broad-spectrum, strong, and stable antibacterial properties, is considered to be a promising antibacterial material for use in coating applications. Carrier materials for active silver play an important role in its activity and stability. However, there is a lack of systematic studies on the effects of different types of carriers in such coating systems, especially in green powder coating systems. In this paper, we investigated two types of carriers for active silver agents: zeolite, i.e., Linde type A (LTA) zeolite and Y-type zeolite; clay-based materials, i.e., montmorillonite and vermiculite. All the agents showed high antibacterial activity, with antibacterial rates of over 99% as compared to commercial agents. Among the four agents, the Ag-LTA zeolite antimicrobial agent showed a reduction rate of over 99.99%; additionally, it maintained a reduction rate of 99% after seven washing cycles. Thus, this agent was demonstrated to have the highest effectiveness and high durability; these features can be attributed to the high silver content and small particle size. The LTA zeolite also provides a protective effect for silver ions, protecting them from reduction, due to the restriction of elemental silver formation within the confined interior space of the α-cage structure. The Y-type zeolite antimicrobial agent exhibited a slightly lower antimicrobial performance due to its higher silicon-to-aluminum ratio and its lower cation exchange capacity. Comparatively, antimicrobial agents utilizing clay-based carriers have lower cation exchange capacity, resulting in poorer antimicrobial effectiveness than zeolite carriers. In addition, silver loaded on clay-based materials is prone to detach from the carrier and undergo a reduction reaction, making the coating yellowish in color. This study first provides information on the roles of different types of carriers in powder coating systems; then, this information guides the selection of carriers for active silver for the development of efficient antimicrobial agents and coatings. Full article

Zeolites are widely used in diverse applications, including the removal of heavy metals from wastewater. However, separating fine-sized zeolite particles from treated water is often a challenge. In this work, a novel method utilizing a colloidal polyvinyl alcohol (PVA) solution to bind iron oxide nanoparticles to a Linde Type A (LTA) zeolite was used to synthesize magnetic zeolite. Different zeolite–iron oxide nanoparticle loadings (10:1, 10:0.5, and 10:0.1) were used in batch adsorption experiments to investigate adsorption capacities and kinetics for Cu removal from an aqueous solution. The results showed that the magnetic zeolite maintained much of its adsorbent properties while facilitating a simplified process design. Thus, the adsorption capacity of pure LTA zeolite was found to be 262 mg/g for magnetic zeolite, with a 10:1 ratio—151 mg/g; 10:0.5—154 mg/g; and 10:0.1—170 mg/g. Magnetic separation was subsequently employed to remove the magnetic zeolite from the treated solution. Full article