Complete Adsorption Research Articles

Exploiting bulk adsorption sites in composite particles via pore engineering for efficient wastewater treatment

Composite particles composed of raw minerals and polymers are promising adsorbents for wastewater treatment because they are based on readily available resources and can be easily separated from water. However, the highly crosslinked molecular networks make the internal structures inaccessible, significantly restricting their adsorption capacity. This work reports the development of a porous polyvinyl formal–Linze palygorskite composite fabricated via a polyvinyl acetal reaction using inorganic salts as porogens. The resulting pore structure provides well-developed molecule/ion-transfer paths, enabling the efficient utilization of active sites in the bulk phase and facilitating complete internal adsorption. The optimal sample, P-PVFM-LZ, which was prepared with 5% NaCl by weight relative to Linze palygorskite and subsequently washed to remove the NaCl porogen, exhibited a distinct pore structure with a 44.0% higher specific surface area and 8.6% higher porosity than the composite prepared without NaCl (PVFM-LZ). Correspondingly, the adsorption capacities of P-PVFM-LZ for methylene blue, crystal violet, Pb2+, Ni2+, ciprofloxacin, and tetracycline hydrochloride are enhanced by 140.61%, 76.71%, 50.00%, 154.86%, 86.77%, and 75.49%, respectively, compared to PVFM-LZ. Furthermore, P-PVFM-LZ demonstrates desirable regenerative adsorption performance, even after six adsorption–desorption cycles. The proposed pore-engineering strategy is considered versatile for designing and fabricating raw-mineral composite adsorbents for efficient wastewater treatment.

An innovative and efficient strategy for removing Congo red using magnetic hollow Zn/Co zeolitic imidazolate framework composite

The discharge of wastewater containing Congo red (CR) poses a significant threat to aquatic ecosystems and human health, underscoring the urgent need for effective removal methods. In this study, we have developed a novel strategy for efficient removing CR, utilizing the synthesized magnetic hollow Zn/Co zeolitic imidazolate framework composite (MH-ZIF). Comprehensive characterization of MH-ZIF and comparison with contrasting materials were conducted. The adsorption behavior of MH-ZIF towards CR followed the pseudo-second-order kinetic model and Langmuir isothermal adsorption model, demonstrating monolayer chemisorption. Remarkably, MH-ZIF exhibited an impressive adsorption capacity of 1167.9 mg g−1 for CR at 293 K. The addition of merely 0.15 g L−1 of MH-ZIF achieved nearly complete adsorption of CR within a concentration of 150 mg L−1. With the assistance of an external magnetic field, CR adsorbed on MH-ZIF can be effectively and swiftly removed within just 30 s. Hence, MH-ZIF demonstrates great promise in effectively removing CR from wastewater, attributed to its high adsorption capacity, selectivity, and magnetic properties.

A comparative theoretical study: Reaction mechanism of Hg0 and H2S/H2Se on α-Fe2O3 (001) surface

Selenium has emerged as a modifier of mercury sorbent in recent years following sulfur, and H2Se is expected to be helpful for mercury capture as H2S do. To explore the differences in the impact of H2S and H2Se on mercury control, the reaction mechanism of Hg and H2S/H2Se on the α-Fe2O3(001) surface was investigated by density functional calculations. The results show that the H2S and H2Se perform similar adsorption behaviors on α-Fe2O3 (001) surface, and they tend to undergo a complete dissociative adsorption, with H atoms bonding to surface O atoms, and S/Se atoms bonding to surface Fe atoms. Comparatively, the adsorption of H2Se is more favorable than H2S in both thermodynamics and kinetics. The active S/Se site, derived from the dissociative adsorption of H2S/H2Se, can stabilize Hg atoms firmly through the generation of HgS/HgSe with a negligible energy barrier. However, HgS and HgSe are unlikely to desorb from α-Fe2O3 (001) surface indicated by their high adsorption energy of above 320 kJ/mol. These findings not only elucidate the reaction mechanisms involved in the interaction between H2Se and mercury on the α-Fe2O3 (001) surface but also predict the superior performance of H2Se compared to H2S in enhancing mercury capture over sorbents.

Novel optical optode for selective detection and removal of ultra-trace level of mercury ions in different environmental real samples

Owing to the high cost and unavailability of different analytical techniques, there is an urgent need to develop new techniques not only for detecting but also removing mercury ions in real samples. Thus, an optical chemical sensor based on the anchoring of phenanthraquinone monophenylthiosemicarbazone in a plasticized cellulose triacetate membrane was fabricated and applied to the recognition and removal of mercury ions from aqueous solutions. The synthesized optode was characterized by FT-IR, SEM, AFM, and thermal analysis. Several parameters, including the pH, temperature, contact time, washing solvent, and washing time, were optimized. Under optimal conditions, a promising optode film platform was utilized for sensing mercury ions, and the concentrations were calculated based on colorimetric analysis (Histogram, RGB) of digital images, visualization, and spectrophotometry. Also, an optical optode was used for complete adsorption of mercury ions from aqueous solutions. In addition, the regeneration of the synthesized optode was evaluated using 0.1 mol L− 1 nitric acid, which effectively removed all adsorbed mercury ions. The obtained data indicated good linearity in the sensing and adsorption of Hg2+ over a concentration range of 0.005–5000 µgL− 1 with a low limit of detection (LOD = 0.066 µgL− 1) and limit of quantification (LOQ, 0.22 µgL− 1). Furthermore, it showed good distinctions in the presence of coexisting ions, high stability (five months), good applicability, and reproducibility (RSD = 1.31%), making it a promising sensor for Hg2+ detection. On the other hand, the kinetic studies revealed that the pseudo-second-order was the best model for describing the adsorption behavior of mercury ions on the optode surface. Also, the thermodynamic parameters indicate spontaneous (ΔG0 < 0) and endothermic (ΔH0 < 0) reactions. Also, the maximum adsorption capacity was found to be 73.2 mg g− 1. Thus, the optodes were successfully applied for the detection and/or removal of Hg2+ in different real samples, including cucumber, fish, soil, and water samples, with excellent recoveries of 98.1–99.5%.

Elimination of mutagenic contaminants from water using cellulose bearing ferrous-phthalocyanine

BackgroundWe previously investigated methods for separating mutagenic contaminants from aqueous solutions using cellulose-bearing covalently bound trisulfo-Cu-phthalocyanine (blue cotton and blue rayon). Mutagenic contaminants with three or more fused aromatic rings in their structures were adsorbed onto blue cotton and rayon. Since Cu-phthalocyanine is considered an unsuitable absorption ligand for byproducts of water chlorination, such as 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone (Mutagen X or MX), we investigated the development of a new material for the elimination of MX from aqueous solvents.ResultsWe selected green cellulose powder bearing ferrous phthalocyanine (FePh), hereafter referred to as green cellulose or GP, as the candidate material. GP is composed of cationized cellulose (white cellulose, WP) and FePh tetracarboxylic acid. The mutagenicity of MX dissolved in buffer or dimethyl sulfoxide (DMSO) solution significantly decreased after treatment with GP. The effects of GP on the elimination of MX from the solvent were very close to being expired after 70 cycles of repeated adsorption of the same GP, and the capacity of GP for MX removal was estimated to be exhausted after 120 cycles of repeated adsorption based on the extrapolation of the obtained result; thus, the interacting ligands on GP may be saturated after complete MX adsorption. The mutagenicity of MX dissolved in aqueous buffer significantly decreased after treatment at pH7.4 but not at pH 4.0. Since MX is dissociated to be the anionic form at pH 6 or higher, the negative charge of MX in the buffer at pH 7.4 may interact with the positive charge of ferrous ions in GP to create a linkage between MX and GP. After GP adsorbed MX, mutagenicity was extracted with water or acetonitrile and recovered in the eluent. Thus, the reversible interaction between MX and FePh may have caused adsorption of MX onto GP.ConclusionGP could be used as a new eliminator and recovery agent for MX in chlorinated drinking water. Developing new materials for the removal and recovery of agents for the detection of mutagenic contaminant-related chlorination in water is beneficial for environmental health.

Elevated efficiency in tartrazine removal from wastewater through boron-doped biochar: enhanced adsorption and persulfate activation

Boron-doped biochar (B-BC) was synthesized by pyrolysis using solid waste of sorghum straw as raw material. The specific surface area of B-BC increased significantly by 2.38 times compared to that of pure BC. This enhancement allowed B-BC (0.3 g L−1) to achieve complete adsorption of 10 mg L−1 tartrazine (TTZ) within 40 min. Moreover, acidic conditions were more favorable for TTZ adsorption, achieving complete removal of TTZ in only 15 min at a pH of 3.0. Interestingly, the adsorption rate of TTZ by B-BC in the presence of 0.05 M Cl− was approximately 2.12 times higher than that in the absence of Cl−. When other background electrolytes were present, excluding PO43−, complete adsorption of TTZ could also be achieved within 60 min. Thermodynamic analysis and DFT calculations described the parameters of B-BC for TTZ adsorption, including ΔGΘ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\Delta {\ ext{G}}^{\\Theta }$$\\end{document} (< 0 kJ mol−1), ΔHΘ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\Delta {\ ext{H}}^{\\Theta }$$\\end{document} (− 2.199 kJ mol−1), ΔSΘ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\Delta {\ ext{S}}^{\\Theta }$$\\end{document} (− 6.068 J mol−1 K−1), and the adsorption energy (Eads = − 0.6919 eV), indicating a tendency towards a spontaneous adsorption process. Moreover, the strong electron transfer ability of B-BC and the oxygen-containing groups promoted the activation of PDS and generation of active substances such as 1O2, O2•−, and SO4•−, thereby degrading TTZ into products with lower biological toxicity. When the added PDS was only 0.1 mM, the degradation rate constant of TTZ could reach 0.1481 min−1. Furthermore, boron doping enhanced the stability of biochar, enabling the complete removal of 10 mg L−1 TTZ even after recycling and regeneration. In summary, this study offers a practical solution for the resource utilization of solid waste sorghum straw and the treatment of TTZ-polluted wastewater.Graphical

Modification of volcanic ash for enhanced removal of malachite green: a complete batch adsorption study

Modification of volcanic ash for enhanced removal of malachite green: a complete batch adsorption study

Molecular-level understanding of membrane fouling formation during ultrafiltration of high-saline organic wastewater: Insights from molecular dynamics simulations

Membrane technology has been prevalently employed to treat high-saline organic wastewater, yet the ongoing hurdle of membrane fouling impedes the advancement and widespread implementation of membrane processes. To date, limited works had been devoted to comprehending the mechanisms of fouling development influenced by high salinity, particularly from the perspective of intermolecular interactions at a deeper level. This work filled the knowledge gap by deciphering the mechanisms underlying humic acid (HA) fouling formation under high salinity mainly using molecular dynamics (MD) simulations, which overcome the spatial scale limitation of traditional experiments and provide new mechanistic insights from the molecular level. The MD results demonstrated that Na+ primarily coordinated and bonded with the carboxyl oxygen and hydroxyl oxygen of HA through Na–O bonds, which reduced the surface charge of HA and solubility in water. Subsequently, HA swiftly migrated and deposited on membrane surface, with the molecular configuration dramatically changed from coiled state to elongated state observed under high salinity. Compared to the scenario without salt, the distribution of HA was found to be more concentrated and closer to the membrane surface, and the position of the lowest free energy decreased significantly from 0.88 nm to 0.5 nm, reflective of complete adsorption occurred. The results of real fouling experiments verified the enhanced fouling formation indeed occurred induced by high salinity, where notable NaCl crystallization appeared on the fouling layer, potentially heightening the porosity and roughness of fouling layer. This work proposed the in-depth HA fouling mechanisms under high-saline conditions from the intermolecular interaction perspective, which should offer theoretical guidance for fouling control when treating high-saline organic wastewater using membrane-based techniques.

Enhancing corrosion inhibition performance of benzyl quinolinium chloride by the use of allicin in lactic acid

The synergistic inhibitive effect of benzyl quinolinium chloride (BQC) with allicin on N80 specimens in 15 % lactic acid environment at 363 K was investigated using weight loss experiments, electrochemical tests, and surface analysis techniques (including scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray Photoelectron Spectroscopy (XPS), and contact angle measurement), quantum chemical calculation as well as molecular dynamics (MD) simulation instruments. In the presence of allicin, the inhibition performance of BQC was significantly improved. The inhibition efficacy (IE) reached 96.49 % at the optimal mass ratio of 5:1(BQC/allicin) with the total inhibitor mass fraction of 0.1 %. Electrochemical testing demonstrated that the composite inhibitor impeded the corrosion process and the composite corrosion inhibitor was belong to hybrid inhibition type. Surface analysis techniques indicated that the composite corrosion inhibitor formed a hydrophobic adsorptive protective film to avoid the erosion of corrosion factors on the metal surface. The mechanism of the synergistic corrosion inhibition effect was further clarified, in terms of electrostatic attraction, intermolecular interactions and adsorption process through molecular dynamics simulation (MD) as well as density functional theory (DFT). The composite corrosion inhibitor composed of BQC and allicin formed a complete and dense adsorption protective film on the metal surface under the combined effect of physical and chemical adsorptions. The combination of BQC and allicin in proper ratio shows promising application potential as an efficient corrosion inhibitor in lactic acid based acidizing fluids.

α-FeOOH-Modified Sn/N-Codoped TiO2 Bifunctional Composites for As(III) Removal through Photocatalytic Oxidation and Simultaneous Adsorption.

Photocatalytic oxidation technology is one of the most efficient and green methods to convert highly toxic As(III) into lowly toxic As(V) for arsenic-polluted wastewater. However, the obtained As(V) may be reduced to As(III) again in the environment, causing secondary pollution. In order to resolve these issues, a bifunctional composite consisting of needle-like α-FeOOH-modified Sn/N-codoped TiO2 granules (SNT-FeOOH) has been synthesized. After modifying, the band gap of SNT-FeOOH narrowed from 2.94 eV (SNT) to 2.29 eV. When the composites were applied to As(III) removal, 10 mg of SNT-FeOOH could totally photocatalytically oxidize 40 mL of As(III) solution with a concentration of 10,000 μg/L within 15 min and synchronously achieve complete adsorption of the produced As(V), which is much more efficient than pure Sn/N-codoped TiO2 [21 min for As(III) photocatalytic oxidation and only 20.01% of total arsenic removal efficiency]. Based on the characterizations, α-FeOOH modification plays a significant role in the promoted performances of photocatalytic oxidation and adsorption of SNT-FeOOH, leading to arsenic removal. On one hand, the Fe-O-Ti interfacial chemical interactions formed between α-FeOOH and Sn/N-codoped TiO2 can further boost the separation rate of photogenerated carriers, hence increasing the photocatalytic oxidation efficiency. On the other hand, α-FeOOH surface hydroxyl groups adsorb the generated As(V) by forming Fe-O-As bonds. The SNT-FeOOH bifunctional composites, prepared in this paper, with dual performances of photocatalytic oxidation and adsorption provide a new strategy to achieve arsenic removal from wastewater.

Highly Defective Zirconium-Based Metal-Organic Frameworks for the Efficient Adsorption and Detection of Sugar Phosphates in the Biological Sample.

Enrichment and quantification of sugar phosphates (SPx) in biological samples were of great significance in biological medicine. In this work, a series of zirconium-based metal-organic frameworks (MOFs) with different degrees of defects, namely, HP-UiO-66-NH2-X, were synthesized using acetic acid as a modulator and were utilized as high-capacity adsorbents for the adsorption of SPx in biological samples. The results indicated that the addition of acetic acid altered the morphology of HP-UiO-66-NH2-X, with corresponding changes in pore size (3.99-9.28 nm) and specific surface area (894.44-1142.50 m2·g-1). HP-UiO-66-NH2-10 showed the outstanding performance by achieving complete adsorption of all four SPx using only 80 μg of the adsorbent. The excellent adsorption efficiency of HP-UiO-66-NH2-10 was also obtained with a wide pH range and short adsorption time (10 min). Adsorption experiments demonstrated that the adsorption process involved chemical adsorption and multilayer adsorption. By utilizing X-ray photoelectron spectroscopy and density functional theory to explain the adsorption mechanism, it was found that various interactions (including coordination, hydrogen bonding, and electrostatic interactions) collectively contributed to the exceptional adsorption capability of HP-UiO-66-NH2-10. Those results indicated that the defect strategy not only increased the specific surface area and pore size, providing additional adsorption sites, but also reduced the adsorption energy between HP-UiO-66-NH2-10 and SPx. Moreover, HP-UiO-66-NH2-10 showed a low limit of detection (0.001-0.01 ng·mL-1), high precision (<13.77%), and accuracy (80.10-111.83%) in serum, liver, and cells, good stability, high selectivity (SPx/glucose, 1:100 molar ratio), and high adsorption capacity (292 mg·g-1 for SPx). The practical detection of SPx from human serum was also verified, prefiguring the great potentials of defective zirconium-based MOFs for the enrichment and detection of SPx in the biological medicine.

Solid–liquid partitioning and speciation of Pb(II) and Cd(II) on goethite under high pH conditions, as examined by subnanomolar heavy metal analysis, X-ray absorption spectroscopy, and surface complexation modeling

The adsorption of heavy metals on iron oxides generally increases with pH and is almost complete at neutral to slightly alkaline pH. However, almost complete adsorption on a linear scale does not imply sufficient removal of the heavy metals in terms of their toxicity. Here, we elucidated the chemical reactions that determine the solid–liquid partitioning of Pb(II) and Cd(II) on goethite at high pH. While the removal of both heavy metals was almost complete on a linear scale above pH 7 for Pb(II) and pH 9 for Cd(II), the dissolved metal concentrations decreased on a logarithmic scale with pH, reaching minima at around pH 10 for Pb(II) and pH 10–11 for Cd(II), and then they increased with pH thereafter. The XAFS spectra of Pb(II)- or Cd(II)-adsorbed goethite prepared at pH > 11 were almost the same as those at neutral pH, suggesting that removal of the heavy metals from solution was achieved by a single adsorption reaction over the entire pH range. Based on the observed macroscopic and microscopic adsorption behaviors at high pH, a robust surface complexation model was developed to predict the solid–liquid partitioning of divalent heavy metals over the entire pH range.

Hybrid rGO/Fe3O4 magnetic nanocomposite for anionic and cationic dye removal application

The adsorption removal of anionic and cationic azo dyes with magnetic nanoparticles was an important technological strategy for the purification of dye-contaminated water. The present work highlights the dye adsorption properties of the solvothermally synthesized hybrid reduced graphene oxide‑iron oxide (rGO/Fe3O4) nanocomposite for the efficient adsorption of methyl orange, congo red, metanil yellow, and methylene blue from the aqueous medium. Morphology, and porous characteristics of the material was analysed with FESEM and BET respectively. The magnetic properties of the material viz. M-H, FC, and ZFC were investigated with SQUID-VSM. The BET analysis confirmed the mesoporous structure of the hybrid rGO/Fe3O4 nanocomposite, with a BET-specific surface area of 27.74 m2/g. Dye adsorption experiments of hybrid rGO/Fe3O4 nanocomposite were conducted to analyse the influence of adsorbent dosage, dye concentrations, and pH variations. FTIR spectroscopy was also used to verify the adsorption of azo dyes onto the surface of the rGO/Fe3O4 nanocomposite. Hybrid rGO/Fe3O4 nanocomposite show complete adsorption of methyl orange, congo red, metanil yellow, and methylene blue dyes with adsorption capacities of 58.76, 100.3, 533, and 50 mg/g, respectively in the water medium. Hybrid rGO/Fe3O4 nanocomposite showed excellent adsorption of metanil yellow dye. The adsorbed azo dyes methyl orange, metanil yellow, methylene blue, and congo red by the rGO/Fe3O4 nanocomposite can be easily desorbs from the material indicating its reusability. The magnetic coercivity of the material at 300K was 47.4 Oe, as a result the adsorbent material can be magnetically separated from the purification system. The adsorption process of methyl orange, congo red, metanil yellow, and methylene blue dyes on the rGO/Fe3O4 nanocomposite best fits to the pseudo-second-order kinetics and the Langmuir isotherm model.

A unified description of ion exchange and complete adsorption isotherms, including cluster growth and cavity filling

In the context of micro- and mesoporous materials, the interpretation of ion exchange and gas adsorption isotherms rarely covers the full information content of the experimental data. Based on our earlier work regarding the role of entropy in multiple equilibria, we have revisited cation exchange data of zeolite A in more detail and addressed the analysis of Ar and N2 adsorption isotherms of nonporous, microporous and mesoporous silicates. The previously reported analysis is thereby extended and improved. The theory is presented in a unified and compact manner through rigorous application of the concept of fractional amount, including particle distribution, cluster growth, and cavity filling. A result is that the structure of mesoporous silica MCM-41 can be described as consisting of the main channel and two types of cavities, which can be interpreted as surface roughness. In a further step, the information delivered by the inflection points in type I, II and IV gas adsorption isotherms is considered. The adsorption of simple gases begins with the formation of a monolayer on the pristine surface. The inflection point thereby represents the start of a new process, indicating that the adsorption isotherms must be understood as the signature of several sequential chemical equilibrium steps. Information can be extracted by inspecting this signature more closely. The results demonstrate the ability of the reported procedure to elicit additional insight including structural features from experimental equilibrium isotherm data.

Properties of Multistranded Twisted Graphene Fibers and Their Application in Flexible Light-Emitting Devices.

As a typical carbon-based material electrode, graphene fiber exhibits many advantages, such as good electrical conductivity, lightweight, and strong structural designability. Its demand is increasing in the wearable display field. With the help of fine denier fiber spinning combined with multistranded graphene fibers prepared via twisting and drafting, their petal-like twisted structure endows the fibers with a high specific surface area, enabling them to complete dye adsorption within 30 min. Simultaneously, compared with that of a single fiber with the same thickness, the volume specific resistance of a multistranded twisted graphene fiber is reduced by 2.4 times. During force sensing, the twisted structure of multistranded fibers exhibits varying simultaneity of fiber fracture with excellent resistance sensitivity reaching up to 55%. The multistranded twisted flexible graphene fibers demonstrate excellent robustness. Electroluminescent flexible devices prepared with graphene fibers and fiber braided fabrics with different organizational structures as electrodes emit highly saturated short-wave blue light during long-term multiple use. Therefore, multistranded twisted graphene fibers exhibit considerable potential for future applications in wearable multicolor smart displays and flexible optical signal electronics.

Hydroxyapatite-magnetite nanocomposites: Synthesis and superior adsorption properties for lead ion removal, with insights into intraparticle diffusion, kinetic modeling, and phase dependency

Multifunctional superparamagnetic magnetite/hydroxyapatite (Fe3O4/Ca10(PO4)6(OH)2 or MHAp) nano-composites were synthesized via a facile two-step co-precipitation method at room temperature. These magnetic nano-composites underwent heat treatment at various temperatures ranging (400°, 600°, and 900 °C), which were subsequently utilized as nanosorbents for removing Pb2+ ions. The XRD data revealed that both the magnetite and hydroxyapatite synthesized were in a pure phase. In the Fe3O4/HAp composites, there was an augmentation in the intensity peak of hydroxyapatite observed up to 600 °C. However, at 900 °C, a calcium iron phosphate phase emerged, and magnetite (Fe3O4) transitioned into the hematite (Fe2O3) phase. Elevating the heat treatment enhanced the crystallinity of the developed Fe3O4/HAp composites while diminishing the surface area. The prepared nanocomposites exhibited high adsorption efficiency across a wide pH range, with an optimal pH of 5.5. Notably, the adsorption rate of Pb2+ reached 94 % within the first 5 min, with complete metal adsorption progressively at 60 min. The kinetic and isotherm analysis of the adsorption process revealed that pseudo-second-order model and Langmuir model agreed well with the adsorption process. Also, FAH0 demonstrated the highest adsorption capacity (263.2 mg/g) for Pb2+ ions. Furthermore, the Fe3O4/HAp composite NPs exhibited remarkable recyclability even after five cycles of reuse; retaining an efficiency of over 96 %, and allowing for easy separation without a significant loss of adsorption efficiency. The results of the current desorption study underscore the promising practical applications of these nano-composites in decontaminating aqueous media.

Theoretical investigation of NbB as an electrode material for Li/Na-ion batteries

The utilization of MBenes as electrode materials for lithium/sodium-ion batteries (LIBs/NIBs) has emerged as a prominent research area. The potential application of two-dimensional niobium boride (NbB) in LIBs/NIBs was explored through first-principles calculations. The results indicate that the monolayer of NbB exhibits exceptional dynamic stability, thermodynamic stability and electrical conductivity. The migration path of Li/Na on the NbB surface was determined, revealing diffusion barriers as low as 0.034 and 0.017 eV respectively, indicating the exceptional mobility and reversibility exhibited by NbB. The theoretical capacities of Li and Na on NbB are 258 and 323 mAh g−1, respectively. The open circuit voltage (OCV) varies within the range of 0.58 to 0.71 V and 0.05 to 0.81 V for Li/Na concentrations. Meanwhile, the investigation into the influence of various functional groups of NbB on the adsorption properties of Li/Na atoms reveals that both NbBO and NbBS surfaces retain their maximum capacity for Li/Na adsorption, whereas the NbBSe surface fails to achieve complete layer adsorption of Li/Na atoms. The introduction of the S functional groups not only maintains the ultra-low diffusion barrier (0.09 eV) of Na ions but also results in a significant decrease in the average OCV of Li/Na adsorption, which is approximately 0.37 and 0.14 V, respectively. The electrochemical properties of NbB in LIBs/NIBs are exceptional, positioning it as a promising electrode material within the MBenes family.

Refinement of Kelvin equation for condensation of water in CSH slits based on molecular simulation

The adsorption and condensation of water molecules in the pores of cementitious materials play a crucial role in the mechanical performance and durability of concrete. The Kelvin equation is generally employed to describe the water condensation in porous materials. However, it requires modification for condensation behavior in nano and micro scales of pores. In the present work, various widths of slit models for several cementitious minerals were established. The adsorption isotherms in slit pores were calculated using the hybrid of Grand Canonical Monte Carlo and Molecular Dynamics simulations, obtaining the relationship between the critical pressures for condensation and pore sizes. Then, a modified Kelvin equation was proposed, with discussion on a new reasonable method for determining the real thickness of adsorbed water film. The results demonstrate that condensation will occur in the slits within the critical width range, which promotes the surface adsorption to achieve complete adsorption. Therefore, the location of the interface between the adsorbed water film and condensed water bulk is fixed in the same mineral during condensation. The modified Kelvin equation shows higher accuracy than traditional Kelvin equations at the nano and micro scale. This work promotes a deeper understanding of the interaction mechanism of water with cementitious minerals and inspires more fundamental realization in the design of concrete durability.

Study on Preparation and Humidity-Control Capabilities of Vermiculite/Poly(sodium Acrylate-acrylamide) Humidity Controlling Composite.

This paper focuses on the preparation and evaluation of a novel humidity-control material, vermiculite/(sodium polyacrylate(AA)-acrylamide(AM)), using inverse suspension polymerization. Acrylic acid and acrylamide were introduced into the interlayer of modified vermiculite during the polymerization process, leading to the formation of a strong association with the modified vermiculite. The addition of vermiculite increased the specific surface area and pore volume of the composites. To investigate the moisture absorption and desorption properties of the composites, an orthogonal experiment and single-factor experiment were conducted to analyze the impacts of vermiculite content, neutralization degree, and the mass ratio of AA to AM. According to the control experiment, the addition of vermiculite was found to enhance the pore structure and surface morphology of the composite material, surpassing both vermiculite and PAA-AM copolymer in terms of humidity control capacity and rate. The optimal preparation conditions were identified as follows: vermiculite mass fraction of 4 wt%, a neutralization degree of 90%, and mAA:mAM = 4:1. The moisture absorption rate and moisture release rate of the composite material prepared under these conditions are 1.285 g/g and 1.172 g/g. The humidity control process of the composite material is governed by pseudo second-order kinetics, which encompasses the complete adsorption process. These results indicate that the vermiculite/PAA-AM composite humidity control material has excellent humidity control performance and is a simple and efficient humidity control method.

Versatile superhydrophobic magnetic biomass aerogel for oil/water separation and removal of multi-class emerging pollutants

Water resources contamination by both oil and microplastics (MPs) stands as a pressing environmental concern. To tackle this challenge, we have devised a superhydrophobic magnetic biomass aerogel, synthesized from PDMS-modified carbonized ZIF-67/chitosan (PDMS@CZIF-67/CS). This aerogel exhibits remarkable capabilities in oil/water separation and adsorption of a wide range of emerging pollutants due to its inherent superhydrophobicity, stability, and self-cleaning capabilities. Furthermore, the aerogel demonstrates efficient absorption of viscous oils and facilitates self-driven oil absorption through the synergistic photothermal conversion and magnetic properties of CZIF-67, respectively. After ten consecutive separation cycles, the aerogel consistently maintains its efficiency in oil/water separation, regardless of the employed method, whether gravity-driven or facilitated by a peristaltic pump. Notably, the PDMS@CZIF-67/CS aerogel manifests a high adsorption capacity for various emerging pollutants, specifically MPs, achieving an almost complete adsorption efficiency. This paper introduces an innovative, eco-friendly approach aimed at mitigating oil-contaminated wastewater and emerging pollutants, highlighting its potential for widespread application.