Search Results (980)

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

This article presents the potential use of a humic agent called ‘Superhumate’, obtained from weathered coal from the Shubarkol deposit in Kazakhstan. The experiment was conducted using model solutions and surface mine water samples from the “Degelen” site at the Semipalatinsk Test Site. The adsorption of heavy metals and toxic elements using the “Superhumate” agent was carried out under dynamic conditions using a chromatographic column. Tests were conducted at a natural pH range of 5–8 (mine waters) and with a model solution at pH 1.7. Assessing the sorption efficiency of this preparation revealed that at pH 1.7, the agent does not adsorb elements such as Cd, Cu, Pb, and Zn. Under dynamic experimental conditions, using the preparation for mine waters at natural pH levels (pH 5–8), elements such as Be, Sr, Mo, Cd, Cs, Zn, and U were efficiently adsorbed at levels of 60–95%. The sorption efficiency of Pb ions was found to be almost independent of pH. The experimental results obtained with mine water samples indicate that alkaline solutions have the highest sorption efficiency, with pH ≥ 7, which is attributed to the solubility of the agent. 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

This research work focused on the development of an adsorbent biocomposite material based on polyhydroxybutyrate (PHB) and cellulose acetate derived from sugarcane (Saccharum officinarum) fibre, through cellulose acetylation. The resulting material represents both an accessible and effective alternative for the treatment and remediation of water contaminated with heavy metals, such as Ni (II). The biocomposite was prepared by blending cellulose acetate (CA) with the biopolymer PHB using the solvent-casting method. The resulting biocomposite exhibited a point of zero charge (pHpzc) of 5.6. The material was characterised by FTIR, TGA-DSC, and SEM analyses. The results revealed that the interaction between Ni (II) ions and the biocomposite is favoured by the presence of functional groups, such as –OH, C=O, and N–H, which act as active adsorption sites on the material’s surface, enabling efficient interaction with the metal ions. Adsorption kinetics studies revealed that the biocomposite achieved an optimal adsorption capacity of 5.042 mg/g at pH 6 and an initial Ni (II) concentration of 35 mg/L, corresponding to a removal efficiency of 86.44%. Finally, an analysis of the kinetic and isotherm models indicated that the experimental data best fit the pseudo-second-order kinetic model and the Freundlich isotherm. Full article

Nanocellulose-based composite aerogels have the advantages of high porosity, biodegradability, and biocompatibility, with wide applications in many fields, such as adsorption, separation, energy storage, and heat insulation. In this study, a nanocellulose-based composite aerogel (NCA) was prepared using the one-pot method with cellulose nanofibrils (CNFs), tannic acid (TA), and polyvinyl alcohol (PVA) as raw materials. The adsorption behaviors of Pb²⁺, Cd²⁺, and Cu²⁺ were also studied. FT-IR analysis confirmed that TA successfully solidified on the nanocellulose, while SEM analysis revealed that the prepared NCA exhibited significantly higher porosity compared with the cellulose nanofibril-only aerogel. The results of the adsorption experiment demonstrated that the adsorption behavior of heavy metal ions using the prepared NCA followed pseudo-second-order kinetics. The adsorption isotherms fit well with the Langmuir adsorption model, indicating that the process of aerogels adsorbing heavy metal ions is that of monolayer adsorption. Under conditions of pH 6 and an initial heavy metal ion concentration of 100 mg/L, the maximum adsorption capacity calculated for the prepared NCA was up to 196.850 mg/g, 181.488 mg/g, and 151.515 mg/g for Cu²⁺, Cd²⁺, and Pb²⁺, respectively. Furthermore, the prepared NCA exhibited excellent reusability, with more than 90% efficiency retained after three cycles. NCAs have the potential to become an efficient material for absorbing heavy metal ions in water. Full article

Numerous studies have been conducted employing various techniques to remove pollutants from water bodies. Among these techniques, adsorption a surface phenomenon that utilises adsorbents derived from agricultural residues has shown considerable potential for the removal of contaminants such as heavy metals. However, most of these investigations have been carried out at the laboratory scale, with limited efforts directed towards predicting the performance of these systems at an industrial level. Accordingly, the present study aims to model a packed bed column at industrial scale for the removal of Pb(II) and Ni(II) ions from aqueous solutions, employing biomass derived from oil palm residues as the adsorbent material. To achieve this, Aspen Adsorption was used as a modelling and simulation tool to evaluate the impact of bed height, inlet flow rate, and initial concentration through a parametric assessment. This evaluation incorporated the Freundlich, Langmuir, and Langmuir–Freundlich isotherm models in conjunction with the Linear Driving Force (LDF) kinetic model. The results indicated that the optimal operating parameters included a column height of 5 m, a flow rate of 250 m³/day, and an initial metal concentration of 5000 mg/L. Moreover, all models demonstrated removal efficiencies of up to 94.6% for both Pb(II) and Ni(II). An increase in bed height resulted in longer breakthrough and saturation times but led to a reduction in adsorption efficiency. Conversely, higher flow rates shortened these times yet enhanced efficiency. These findings underscore the potential of computational modelling tools as predictive instruments for evaluating the performance of adsorption systems at an industrial scale. Full article

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

The persistent contamination of aquatic environments by heavy metals, particularly Pb²⁺, Cd²⁺, and Cu^2+, 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 study explores the utilization of waste grape pomace-derived hydrochar as an efficient adsorbent for lead (Pb²⁺) removal from aqueous solutions. Hydrochar was produced via hydrothermal carbonization (HTC) at 220 °C, followed by doping with magnesium and iron salts, and subsequent pyrolysis at 300 °C to obtain Fe/Mg-pyro-hydrochar (FeMg-PHC). The material’s structural and morphological changes after Pb²⁺ adsorption were examined using FTIR. FTIR revealed chemisorption and ion exchange as key mechanisms, shown by decreased hydroxyl, carbonyl, and metal–oxygen peaks after Pb²⁺ adsorption. Adsorption tests under varying pH, contact time, and initial Pb²⁺ concentrations revealed optimal removal at pH 5. Kinetic modeling indicated that the process follows a pseudo-second-order model, suggesting chemisorption as the dominant mechanism. Isotherm analysis showed that the Sips model best describes the equilibrium, with a maximum theoretical adsorption capacity of 157.24 mg/g. Overall, the simple two-step synthesis—HTC followed by pyrolysis—combined with metal doping yields a highly effective and sustainable adsorbent for Pb²⁺ ion removal from wastewater. Full article

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

Heavy metal pollution, especially from Pb(II) and Cd(II), poses significant risks due to its persistence and bioaccumulation potential. Traditional removal methods face challenges like high costs and secondary pollution. This study developed a novel three-dimensional porous adsorbent XBS, derived from xanthate-modified Phanerochaete sordida YK-624 (a white-rot fungus), for the rapid and efficient removal of Pb(II) and Cd(II) from wastewater. Characterization showed that XBS has a sponge-like structure with abundant functional groups, significantly enhancing its adsorption capacity and kinetics. XBS achieved 96% Pb(II) and 32% Cd(II) removal within 1 min at a 0.25 g/L dose, reaching over 95% of the maximum adsorption capacity within 30 min for Pb(II) and 240 min for Cd(II). The maximum capacities were 224.72 mg/g for Pb(II) and 82.99 mg/g for Cd(II). Kinetic and thermodynamic analyses indicated a chemisorption-driven process, which was both endothermic and spontaneous. XBS exhibited high selectivity for Pb(II) over Cd(II) and other metals (Tl(I), Cu(II)), attributed to stronger covalent interactions with sulfur- and nitrogen-containing groups. Mechanistic analyses (XRD, FTIR, and XPS) revealed that removal occurs via ion exchange, complexation, and precipitation, forming stable compounds like PbS/CdS and PbCO₃/CdCO₃. Given its cost-effectiveness, scalability, and high efficiency, XBS represents a promising adsorbent for heavy metal remediation, particularly in Pb(II)-contaminated wastewater treatment applications. Full article

The efficient separation of chalcopyrite from molybdenite is crucial for the utilization of copper–molybdenum ores and is inevitably influenced by the presence of metal ions in the pulp. However, the underlying impact mechanisms remain unclear. This study systematically investigated the influence of Cu²⁺ on the flotation separation of chalcopyrite and molybdenite, with sodium thioglycolate (STG) as a depressant. Flotation experiments revealed that Cu²⁺ in the STG system significantly reduced molybdenite recovery and hindered selective separation. Characterization using contact angle, zeta potential, and UV–Vis analysis demonstrated that the presence of Cu²⁺ triggered STG adsorption on the molybdenite surface, thereby increasing its hydrophilicity. XPS analysis showed that Cu²⁺ adsorbed onto the molybdenite surface as Cu(I), creating reactive sites for the –SH or –COO⁻ groups in STG. This interaction forms a stable molybdenite–Cu(I)–STG complex through chemisorption, significantly suppressing molybdenite flotation. DFT calculations further demonstrated that Cu²⁺ enhanced the reactivity between STG and molybdenite. These findings provide a comprehensive understanding of the influences of Cu²⁺ on the flotation separation between chalcopyrite from molybdenite, providing valuable insights into further optimizing copper–molybdenum flotation separation processes. Full article

Sawdust is receiving increasing attention as a promising green adsorbent. However, due to its powder nature, it is difficult to recover after adsorbing heavy metals and may even cause secondary pollution. To solve this problem, a novel sawdust/foamed geopolymer (SFG) adsorbent was prepared by using sawdust as a raw material, geopolymer as a binder, and hydrogen peroxide as a foaming agent. This study discussed the effect of SFG dosage, solution temperature, solution pH, contact time, and initial Cu²⁺ solution concentration on the adsorption capacity and removal rate. The results showed that a desirable SFG adsorbent with the SFG dosage of 0.5 g, temperature of 25 °C, pH of 5, contact time of 720 min, and initial Cu²⁺ solution concentrations of 90 mg/L is recommended, of which the adsorption capacity is 31.5 mg/g with the removal rate being 92.76%. In addition, the adsorption performance of the SFG adsorbent is superior to that of pure sawdust and similar to that of the foamed geopolymer adsorbent, and it has the characteristics of higher strength, lower cost, and more environmental friendliness. This study indicated that the SFG adsorbents are feasible as adsorbents; meanwhile, this work can provide a scientific reference for the development of new bio-composite adsorbent materials, especially in the field of the treatment of heavy metal ions in wastewater. Full article

The ongoing miniaturization of semiconductor devices necessitates continuous advancements in lithographic processes, which are critical for high-precision circuit formation. To prevent substrate damage during the etching step, a spin-on hardmask (SOH) layer is often introduced between the photoresist (PR) and the substrate. However, residual metal ions in SOH solutions can adversely affect integrated circuit performance, underscoring the need for efficient and chemically compatible removal strategies. This study investigates the adsorption of metal ions (Al³⁺, Cr³⁺, Cu²⁺, Fe³⁺, Ni²⁺, and Ti⁴⁺) from SOH solutions using mesoporous silica materials—MCM-41 and SBA-15—functionalized with various groups (–OH, –NH₂, –SH, and –CH₃). Adsorption performance was evaluated under solvent-only, monomer-containing, and polymer-containing conditions. Among the tested materials, amine-functionalized mesoporous silica exhibited the highest adsorption efficiency, with SBA-15-NH₂ showing relatively effective and uniform performance in polymer-containing systems. Isotherm analysis supported a monolayer chemical adsorption mechanism, suggesting the significance of surface functional groups in the adsorption process. These findings demonstrate the potential of functionalized mesoporous silica as a promising candidate for trace metal ion removal in semiconductor manufacturing, offering enhanced yield and improved process reliability. Full article

This study investigates the adsorption and desorption efficiencies of Cu (II) and Cd (II) from industrial effluents using orange peel powder and a newly developed mixed adsorbent composed of equal parts of activated charcoal (AC) and bone charcoal (BC). The mixed adsorbent (AC + BC) exhibited significantly higher removal efficiencies for both copper and cadmium metal ions compared to orange peel powder. This can be attributed to the high surface area of AC and the negative surface charge of BC, resulting in a synergistic adsorption effect. Batch adsorption experiments were conducted in an orbital shaker at 150–180 rpm for 60 min, followed by thorough rinsing to remove any residual metal ions. The optimal pH for maximum adsorption of Cu (II) and Cd (II) was found to be 6. The effects of adsorbent dosage (ranging from 0.5 to 5 g/L) and contact time (ranging from 15 min to 4 h) on adsorption performance were systematically studied. Regeneration experiments using 0.2 M HCl demonstrated that the adsorption of Cu (II) and Cd (II) on the mixed adsorbent was highly reversible, achieving desorption efficiencies of 90% and 94%, respectively. Notably, Cd (II) consistently exhibited higher desorption rates across all tested dosages. These results confirm the potential of the proposed adsorbent and regeneration strategy for efficient and economical removal of heavy metals from industrial wastewater. Full article