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1.
Sci Rep ; 14(1): 8406, 2024 04 10.
Artigo em Inglês | MEDLINE | ID: mdl-38600150

RESUMO

The aim of this work was to synthesize a green nanoparticle SnCuO@FeO nanocomposite core-shell to break oily water emulsions during petroleum-enhancing production processes as an alternative to chemical and physical processes. In this study, eight bacterial isolates (MHB1-MHB8) have been isolated from tree leaves, giant reeds, and soil samples. The investigation involved testing bacterial isolates for their ability to make FeO nanoparticles and choosing the best producers. The selected isolate (MHB5) was identified by amplification and sequencing of the 16S rRNA gene as Bacillus paramycoides strain OQ878685. MHB5 produced the FeO nanoparticles with the smallest particle size (78.7 nm) using DLS. XRD, FTIR, and TEM were used to characterize the biosynthesized nanoparticles. The jar experiment used SnCuO@FeO with different ratios of Sn to CuO (1:1, 2:1, and 3:1) to study the effect of oil concentration, retention time, and temperature. The most effective performance was observed with a 1:1 ratio of Sn to CuO, achieving an 85% separation efficiency at a concentration of 5 mg/L, for a duration of 5 min, and at a temperature of 373 K. Analysis using kinetic models indicates that the adsorption process can be accurately described by both the pseudo-first-order and pseudo-second-order models. This suggests that the adsorption mechanism likely involves a combination of film diffusion and intraparticle diffusion. Regarding the adsorption isotherm, the Langmuir model provides a strong fit for the data, while the D-R model indicates that physical interactions primarily govern the adsorption mechanism. Thermodynamic analysis reveals a ∆H value of 18.62 kJ/mol, indicating an exothermic adsorption process. This suggests that the adsorption is a favorable process, as energy is released during the process. Finally, the synthesized green SnCuO@FeO nanocomposite has potential for use in advanced applications in the oil and gas industry to help the industry meet regulatory compliance, lower operation costs, reduce environmental impact, and enhance production efficiency.


Assuntos
Nanocompostos , Petróleo , Poluentes Químicos da Água , Emulsões , RNA Ribossômico 16S , Termodinâmica , Água/química , Adsorção , Cinética , Poluentes Químicos da Água/química , Concentração de Íons de Hidrogênio
2.
Angew Chem Int Ed Engl ; : e202405027, 2024 Apr 24.
Artigo em Inglês | MEDLINE | ID: mdl-38656532

RESUMO

A novel class of crystalline porous materials has been developed utilizing multilevel dynamic linkages, including covalent B-O, dative B←N and hydrogen bonds. Typically, boronic acids undergo in situ condensation to afford B3O3-based units, which further extend to molecular complexes or chains via B←N bonds. The obtained superstructures are subsequently interconnected via hydrogen bonds and π-π interactions, producing crystalline porous organic frameworks (CPOFs). The CPOFs display excellent solution processability, allowing dissolution and subsequent crystallization to their original structures, independent of recrystallization conditions, possibly due to the diverse bond energies of the involved interactions. Significantly, the CPOFs can be synthesized on a gram-scale using cost-effective monomers. In addition, the numerous acidic sites endow the CPOFs with high NH3 capacity, surpassing most porous organic materials and commercial materials.

3.
Artigo em Inglês | MEDLINE | ID: mdl-38656718

RESUMO

The water treatment depends exclusively on the identification of residues containing toxic chemical elements accumulated in NPs (nanoparticles), and ultrafine particles sourced from waste piles located at old, abandoned sulfuric acid factories containing phosphogypsum requires global attention. The general objective of this study is to quantify and analyze the hazardous chemical elements present in the leachate of waste from deactivated sulfuric acid factories, coupled in NPs and ultrafine particles, in the port region of the city of Imbituba, Santa Catarina, Brazil. Samples were collected in 2020, 2021, and 2022. Corresponding images from the Sentinel-3B OLCI satellite, taken in the same general vicinity, detected the levels of absorption coefficient of Detritus and Gelbstoff (ADG443_NN) in 443 m-1, chlorophyll-a (CHL_NN (m-3)), and total suspended matter (TSM_NN (g m-3) at 72 points on the marine coast of the port region. The results of inductively coupled plasma atomic-emission spectrometry (ICP-AES) and inductively coupled plasma mass spectrometry (ICP-MS) demonstrate that the leaching occurring in waste piles at the port area of Imbituba was the likely source of hazardous chemical elements (e.g., Mg, Sr, Nd, and Pr) in the environment. These leachates were formed due to the presence of coal pyrite and Fe-acid sulfates in said waste piles. The mobility of hazardous chemical elements potentiates changes in the marine ecosystem, in relation to ADG443_NN (m-1), CHL_NN (m-3), and TSM NN (g m-3), with values greater than 20 g m-3 found in 2021 and 2022. This indicated changes in the natural conditions of the marine ecosystem up to 30 km from the coast in the Atlantic Ocean, justifying public initiatives for water treatment on a global scale.

4.
Artigo em Inglês | MEDLINE | ID: mdl-38656722

RESUMO

Metal-organic frameworks (MOFs) are a prominent class of materials due to their large surface area and customized structures. This gives them specificity and high adsorption capacity while they lack mechanical strength and reusability. Integrating MOFs with polysaccharide matrix may retain MOF characteristics along with imparting structural integrity. In the present study, zirconium MOF-based fenugreek composite (FG/Zr-AIPA) beads were synthesised by a single droplet method and utilised for removal of Cr(VI), Pb(II) and Fe(III) from aqueous solution. The structure, morphology and composition of beads were evaluated by FTIR, XRD, TGA, BET, FESEM, EDX, XPS and zeta potential analysis. Adsorption isotherm, kinetics and thermodynamics were studied for Cr(VI), Pb(II) and Fe(III) adsorption. Adsorption kinetics and isotherm study revealed that all the metal ions were adsorbed through a monolayer chemisorption process. The maximum adsorption capacity was 344.43, 270.02 and 223.21 mg g-1 for Cr(VI), Pb(II) and Fe(III), respectively, based on the Langmuir isotherm study. The thermodynamics study revealed that the interaction between the metal ions and the composite beads was spontaneous and endothermic. The FG/Zr-AIPA composite beads exhibited good reusability for the removal of Cr(VI), Pb(II) and Fe(III). The results open new possibilities for the preparation of polysaccharide MOF-based composite beads which exhibit substantial potential for water treatment applications.

5.
J Hazard Mater ; 470: 134180, 2024 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-38569342

RESUMO

Obtaining suitable adsorbents for selective separation of SO2 from flue gas still remains an important issue. A stable Zr(IV)-MOF (Zr-PTBA) can be conveniently synthesized through the self-assembly of a tetracarboxylic acid ligand (H4L = 4,4',4'',4'''-(1,4-phenylenebis(azanetriyl))tetrabenzoic acid) and ZrCl4 in the presence of trace water. It exhibits a three-dimensional porous structure. The BET surface area is 1112.72 m2/g and the average pore size distribution focus on 5.9, 8.0 and 9.3 Å. Interestingly, Zr-PTBA shows selective adsorption of SO2. The maximum uptake reaches 223.21 cm3/g at ambient condition. While it exhibits lower adsorption uptake of CO2 (30.50 cm3/g) and hardly adsorbs O2 (2.57 cm3/g) and N2 (1.31 cm3/g). Higher IAST selectivities of SO2/CO2 (21.9), SO2/N2 (912.7), SO2/O2 (2269.9) and SO2/CH4 (85.0) have been obtained, which reveal its' excellent gas separation performance. Breakthrough experiment further confirms its application for flue gas deep desulfurization both in dry and humid conditions. Furthermore, the gas adsorption results and mechanisms have also been studied by theoretical calculations.

6.
Chemphyschem ; : e202400086, 2024 Apr 25.
Artigo em Inglês | MEDLINE | ID: mdl-38661573

RESUMO

When multi-component fluid contact the rigid substrate, the van der Waals interaction between fluids and substrate induces a depletion/adsorption layer on the intrinsic wettability of the system. In this study, we investigate the depletion/adsorption behaviors of  A-B fluid system. We derive analytical expressions for the equilibrium layer thickness and the equilibrium composition distribution near the solid wall, based on the theories of de Gennes and Cahn. Our derivation is verified through phase-field simulations, wherein the substrate wettability, A-B interfacial tension, and temperature are systematically varied. Our findings underscore two pivotal mechanisms governing the equilibrium layer thickness: With an increase in the wall free energy, the substrate wettability dominates, aligning with de Gennes' theory. When the interfacial tension increases, or temperature rises, the layer is determined by the A-B interactions, obeying Cahn's theory. Additionally, we extend our study to non-equilibrium systems where the initial composition deviates from the binodal line. Notably, macroscopic depletion/adsorption layers form on the substrate, which are significantly thicker than equilibrium microscopic layers. This macroscopic layer formation can be attributed to the interplay of phase separation and Ostwald ripening. We anticipate our finding could deepen our knowledge on the  depletion/adsorption behaviors for fluids.

7.
J Environ Manage ; 358: 120866, 2024 Apr 24.
Artigo em Inglês | MEDLINE | ID: mdl-38663085

RESUMO

Cu (II) is a toxic heavy metal commonly identified in groundwater contaminants. Bentonite-based cutoff wall is the most used method in isolating and adsorbing contaminants, while the bentonite in it easily to fail due to Cu(II) exchange. This study synthesized a novel material through the modification of calcium bentonite (CaB) utilizing sodium hexametaphosphate (SHMP) and nano zero-valent iron (NZVI). The characteristics, adsorption performance, and mechanism of the NZVI/SHMP-CaB were investigated comprehensively. The results showed that SHMP can disperse CaB and reduce flocculation, while NZVI can be further stabilized without agglomeration. The best adsorption performance of NZVI/SHMP-CaB could be obtained at the dosage of 2% SHMP and 4% NZVI. The NZVI/SHMP-CaB exhibited an outstanding removal efficiency of over 60% and 90% at a high Cu(II) concentration (pH = 6, Cu(II) = 300 mg/L) and acidic conditions (pH = 3-6, Cu(II) = 50 mg/L), respectively. The adsorption of Cu(II) by NZVI/SHMP-CaB followed a pseudo-second-order kinetic model, and fitting results from the Freundlich isothermal model suggested that the adsorption process occurred spontaneously. Besides the rapid surface adsorption on the NZVI/SHMP-CaB and ion exchange with interlayer ions in bentonite, the removal mechanism of Cu(II) also involved the chemical reduction to insoluble forms such as Cu0 and Cu2O. The generated FePO4 covered the surface of the homogenized NZVI particles, enhancing the resistance of NZVI/SHMP-CaB to acidic and oxidative environments. This study indicates that NZVI/SHMP-CaB is a promising alternative material which can be used for heavy metal removal from contaminated soil and water.

8.
Environ Pollut ; : 124019, 2024 Apr 23.
Artigo em Inglês | MEDLINE | ID: mdl-38663506

RESUMO

Lead(II) is a potential carcinogen of heavy-metal ions (HIs). With the wide application of Pb-bearing products including lead alloy products, and new-energy lead-ion batteries, lead pollution has become a tricky problem. To solve such a difficulty, novel ultrathin MoS2-vinyl hybrid membranes (MVHMs) with a "spring" effect were synthesized via co-polymerization of acrylic acid, styrene and molybdenum disulfide (MoS2) and their adsorptions for HIs were explored. The "spring" effect derived from the interaction between the tendency of the short polyacrylic acid (PAA) chain connected with MoS2 to spread outward and the coulomb force between layers from MoS2 (s-MoS2), which enlarge the spacing of MoS2 layers without changing the number of layers after membrane formation, which changes the swelling membrane to a dense membrane and reduces the original thickness from 0.5cm to 0.011mm in the thickness direction. The adsorption experiment revealed that these MVHMs had super adsorption performance and high selectivity for Pb2+ by comparison with other five metal ions: Cu2+, Cd2+, Ni2+, Cr3+ and Zn2+. Especially, the adsorption quantity of MVHMs for Pb2+ could approach 2468 mg/g and the maximum adsorption ratio of qe[Pb2+]/qe[Cu2+] can reach 10.909. These values were much larger than the data obtained with the adsorbents reported in the last decade. A variety of models are applied to evaluate the effect of ionic groups. It was confirmed that -COOH plays a key role in adsorption of HIs and s-MoS2 also has a certain contribution. Conversely, ion exchange plays only a minor role during the period of adsorption process. Effective diffusion coefficient (Deff) of Pb(II) had the largest values among these metal ions. Hence, these hybrid membranes are promising adsorbents for the removal of Pb2+ from water containing various ions.

9.
Environ Pollut ; : 124026, 2024 Apr 23.
Artigo em Inglês | MEDLINE | ID: mdl-38663509

RESUMO

To develop a highly efficient adsorbent to remediate and remove hexavalent chromium ions (Cr(VI)) from polluted water, cellulose acetate (CA) and chitosan (CS), along with metal oxides (titanium dioxide (TiO2) and ferroferric oxide (Fe3O4)), and a zirconium-based metal-organic framework (UiO-66) were used to fabricate the composite porous nanofiber membranes through electrospinning. The adsorption performance, influencing factors, adsorption kinetics, and isotherms of composite nanofiber membranes were comprehensively investigated. The multi-layer membrane with interpenetrating nanofibers and surface functional groups enhanced the natural physical adsorption and provided potential chemical sites. The thermal stability was improved by introducing TiO2 and UiO-66. CA/CS/UiO-66 exhibited the highest adsorption capacity (118.81 mg g-1) and removal rate (60.76%), which were twice higher than those of the CA/CS membrane. The correlation coefficients (R2) of all the composite nanofibers regressed by the Langmuir model were significantly higher than those by the Freundlich model. The pseudo-first-order kinetic curve of CA/CS composite nanofibers showed the highest R2 (0.973), demonstrating that the whole adsorption process involved a combination of strong physical adsorption and weak chemical adsorption by the amino groups of CS. However, the R2 values of the pseudo-second-order kinetic model increased after incorporating TiO2, Fe3O4, and UiO-66 into the CA/CS composite nanofibers. This indicated that composite membranes underwent a stronger chemical reaction with Cr (VI) during the adsorption.

10.
Int J Biol Macromol ; : 131760, 2024 Apr 23.
Artigo em Inglês | MEDLINE | ID: mdl-38663693

RESUMO

In the adsorption process for wastewater treatment, the adsorbent plays an important role. A composite adsorptive material composed of graphitic carbon nitride and agar-derived porous carbon (CNPC) was fabricated from simple precursors (melamine, thiourea, and agar) and through a facile procedure with different melamine and thiourea ratios. Characterization of CNPC proved a successful formation of a porous structure consisting of mesopores and macropores, wherein CNPC holds distinctive electrochemical (lowered resistance and higher specific capacity) and photochemical properties (lowered bandgap to 2.33 eV) thanks to the combination of graphitic carbon nitride (CN) and agar-derived porous carbon (PC). Inheriting the immanent nature, CNPC was subjected to the adsorption of methylene blue (MB) dye in an aqueous solution. The highest adsorption capacity was 133 mg/g for CNPC-4 which was prepared using a melamine to thiourea ratio of 4:4 - equivalent to the removal rate of 53.2 % and following the pseudo-I-order reaction rate. The effect of pH points out that pH 7 and 9 were susceptible to maximum removal and pretreatment is not required while the optimal ratio of 7.5 mg of MB and 30 mg of material was also determined to yield the highest performance. Furthermore, the reusability of the material for three consecutive cycles was evaluated based on two methods pyrolysis at 200 °C and photocatalytic degradation by irradiation under visible light. In general, the photocatalytic regeneration pathway is more ample and efficient than pyrolysis in terms of energy efficiency (saving energy over 10 times) and adsorption capacity stability. As a whole, the construction of accessible regenerative and stable adsorbent could be a venturing step into the sustainable development spearhead for industries.

11.
Artigo em Inglês | MEDLINE | ID: mdl-38664320

RESUMO

The highly stable biomass structure formed by cellulose, hemicellulose, and lignin results in incomplete conversion and carbonization under hydrothermal conditions. In this study, pretreated corn straw hydrochar (PCS-HC) was prepared using a low-temperature alkali/urea combination pretreatment method. The Mass loss rate of cellulose, hemicellulose, and lignin from pretreated biomass, as well as the effects of the pretreatment method on the physicochemical properties of PCS-HC and the adsorption performance of PCS-HC for alkaline dyes (rhodamine B and methylene blue), were investigated. The results showed that the low-temperature NaOH/urea pretreatment effectively disrupted the stable structure formed by cellulose, hemicellulose, and lignin. NaOH played a dominant role in solubilizing cellulose and the combination of low temperature and urea enhanced the ability of NaOH to remove cellulose, hemicellulose, and lignin. Compared to the untreated hydrochar, PCS-HC exhibited a rougher surface, a more abundant pore structure, and a larger specific surface area. The unpretreated hydrochar exhibited an adsorption capacity of 64.8% for rhodamine B and 66.32% for methylene blue. However, the removal of rhodamine B and methylene blue by PCS-BC increased to 89.12% and 90.71%, respectively, under the optimal pretreatment conditions. The PCS-HC exhibited a favorable adsorption capacity within the pH range of 6-9. However, the presence of co-existing anions such as Cl-, SO42-, CO32-, and NO3- hindered the adsorption capacity of PCS-HC. Among these anions, CO32- exhibited the highest level of inhibition. Chemisorption, including complexation, electrostatic attraction, and hydrogen bonding, were the primary mechanism for dye adsorption by PCS-HC. This study provides an efficient method for utilizing agricultural waste and treating dye wastewater.

12.
Heliyon ; 10(8): e28188, 2024 Apr 30.
Artigo em Inglês | MEDLINE | ID: mdl-38665557

RESUMO

Accurate calculations and precise results are very important for the dissemination of scientific knowledge, whereas the errors of calculation will diminish the academic value of the paper. This discussion focuses on the calculation of thermodynamics and the determination of the spontaneity of adsorption processes in the paper of Ofudje et al. (2023). Ofudje et al. found that the apatite synthesized by chemical method (CHAp) has excellent adsorption properties for cadmium ions, which is an important contribution to the remediation of cadmium pollution. However, the calculation results of standard Gibbs free energy change (ΔGo), standard enthalpy change (ΔHo) and standard entropy change (ΔSo) of the adsorption of Cd2+ onto CHAp surface need to be corrected due to an incorrect calculation. Firstly, the partition coefficient (KD) with a dimension cannot be used for thermodynamic calculation. Secondly, the adsorbent mass (m) described by Ofudje et al. in different Sections is inconsistent, leading to incorrect results of Ko and ΔGo. When the appropriate value of the adsorbent mass is selected and the partition coefficient is converted to the standard adsorption equilibrium constant Ko, the calculated ΔGo is less than zero, which means that the adsorption is spontaneous. This discussion provides the correct calculation method of standard adsorption equilibrium constants and thermodynamic parameters, which can improve the reader's judgment and understanding of adsorption spontaneity.

13.
Heliyon ; 10(8): e29649, 2024 Apr 30.
Artigo em Inglês | MEDLINE | ID: mdl-38665584

RESUMO

This study aims to document the phosphate ion (PO43-) adsorption capacity of a novel zirconium-based adsorbent. The physicochemical properties of the adsorbent are investigated using an array of methods and metrics such as electron microscopy, X-ray diffraction, thermal analysis, specific surface area, pore volume, pH point of zero charge (pHpzc), and surface hydroxyl groups. The batch method is used to elucidate PO43- adsorption capacity. Results suggested that the adsorption of PO43- was based on an internal diffusion and a monolayer adsorption. We also clarified that the pH of the solution significantly impacted the adsorption. Moreover, the adsorbent shows the ability to not only adsorb but also desorb PO43- for at least five cycles, based on an adsorption mechanism that we document. These findings indicate that this adsorbent could serve as a major industrial PO43- adsorbent.

14.
Food Chem X ; 22: 101380, 2024 Jun 30.
Artigo em Inglês | MEDLINE | ID: mdl-38665633

RESUMO

In order to re-utilize the residual from the distillation of the Chinese wolfberry wine and reduce the environmental pollution, the residual is firstly filtered by the ceramic membrane of 50 nm, then the Cu (II) has transferred from the distillation is removed using the ion exchange resin, and the treated solution is recombined with the distilled liquor to make the Chinese wolfberry brandy and the comparison has conducted on the physicochemical properties, antioxidant activity and flavor compounds between the recombined brandy and the finished brandy. The results indicate that the Cu (II) was effectively removed by ceramic membrane combined with the D401 resin. Compared with finished brandy, the recombined brandy contains high contents of polysaccharides, phenols and flavonoids, thus contributing to the improvement of antioxidant capacity. The gas chromatography-ion mobility spectrometry (GC-IMS) reveals that 25 volatile compounds like esters and alcohols have identified in the brandy samples, and the differences are significant between the recombined and the finished brandy. In summary, the distilled residual from the Chinese wolfberry wine might be re-used after the appropriate treatment so as to reduce the discharge and environmental pollution.

15.
Heliyon ; 10(7): e29355, 2024 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-38623186

RESUMO

In this study, Fe3O4@SiO2@TiO2-CPTS-HBAP (FST-CH) nanoparticle was prepared for the simultaneous adsorption and photocatalytic degradation of aromatic chemical pollutants (Rhodamine B dye) in aqueous solution. FST-CH nanoparticle was characterized using scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), Energy Dispersive X-Ray (EDX) Fluorescence Spectrometer and X-Ray Diffraction (XRD) spectroscopy. The photocatalytic activity of rhodamine B dye (RhB) was evaluated with a Kerman UV 8/18 vertical roller photoreactor. About 56% of RhB in aqueous medium was adsorbed by FST-CH nanoparticles with only 45 min of stirring in the dark, and about 77.01% was degraded or converted to other structures under the photoreactor for 120 min. The photocatalytic degradation of RhB (apparent rate constant: 0.0026 mg dm-3 min-1) occurred by a pseudo-second order reaction. In addition, the recovery of the prepared magnetic FST-CH nanoparticle by an external magnetic field, exhibiting good magnetic response and reusability, shows that the obtained magnetic FST-CH nanoparticle is stable and maintains high degradation ratio and catalyst recovery even after four cycles. Thus, the prepared FST-CH nanoparticle can be highly recommended for its use in potential applications of water decontamination.

16.
Environ Res ; 252(Pt 2): 118970, 2024 Apr 19.
Artigo em Inglês | MEDLINE | ID: mdl-38642642

RESUMO

This study aimed to evaluate effective treatment strategies for laboratory waste with an initial pH of 1.0, containing Cr6+, Mn2+, Co2+, Fe3+, Ni2+, Cu2+, Zn2+, Sr2+, Hg2+, and Pb2+ ions, focusing on flocculation, precipitation, and adsorption techniques. The study utilized microparticles derived from Moringa oleifera seed husks (MS), cryogels of carboxymethyl cellulose (CMC), and hybrid cryogels combining CMC and MS (CMC-MS25 and CMC-MS50) as adsorbents. The optimal strategy involved raising the pH to 7 using NH4OH, leading to the partial precipitation of metal ions. The remaining supernatant was then passed through columns packed with the aforementioned adsorbents. Utilizing CMC-MS25 and CMC-MS50 adsorbents resulted in the simultaneous removal of over 90% of the targeted metal ions. The adsorption of Cu2+ ions onto the adsorbents was facilitated by electrostatic interactions between Cu2+ ions and carboxylate groups, as well as Cu-OH chelation, as confirmed by X-ray photoelectron spectroscopy. Under optimized conditions, the fixed-bed column adsorption capacity was determined as 88.2 mg g-1. The CMC-MS25 adsorbents proved reusable at least 5 times, with the recovered Cu2+ ions potentially suitable for other processes. The scalability and feasibility of producing these novel adsorbents suggest a promising, cost-effective solution for treating complex matrices and recovering high-value metals, as copper.

17.
ACS Appl Mater Interfaces ; 16(15): 19806-19818, 2024 Apr 17.
Artigo em Inglês | MEDLINE | ID: mdl-38588323

RESUMO

In this work, we introduced COFInformatics, a computational approach merging molecular simulations and machine learning (ML) algorithms, to evaluate all synthesized and hypothetical covalent organic frameworks (COFs) for the CO2/CH4 mixture separation under four different adsorption-based processes: pressure swing adsorption (PSA), vacuum swing adsorption (VSA), temperature swing adsorption (TSA), and pressure-temperature swing adsorption (PTSA). We first extracted structural, chemical, energy-based, and graph-based molecular fingerprint features of every single COF structure in the very large COF space, consisting of nearly 70,000 materials, and then performed grand canonical Monte Carlo simulations to calculate the CO2/CH4 mixture adsorption properties of 7540 COFs. These features and simulation results were used to develop ML models that accurately and rapidly predict CO2/CH4 mixture adsorption and separation properties of all 68,614 COFs. The most efficient separation process and the best adsorbent candidates among the entire COF spectrum were identified and analyzed in detail to reveal the most important molecular features that lead to high-performance adsorbents. Our results showed that (i) many hypoCOFs outperform synthesized COFs by achieving higher CO2/CH4 selectivities; (ii) the top COF adsorbents consist of narrow pores and linkers comprising aromatic, triazine, and halogen groups; and (iii) PTSA is the most efficient process to use COF adsorbents for natural gas purification. We believe that COFInformatics promises to expedite the evaluation of COF adsorbents for CO2/CH4 separation, thereby circumventing the extensive, time- and resource-intensive molecular simulations.

18.
Sci Total Environ ; 927: 172308, 2024 Jun 01.
Artigo em Inglês | MEDLINE | ID: mdl-38599396

RESUMO

Despite the diverse research into the environmental impact of plastics, several stones have yet to be unraveled in terms of their ecotoxicological potential. Moreover, their detrimental impacts have become terrifying in recent years as the understanding of their tendency to associate and form cohorts with other emerging contaminants grew. Despite the hypothesis that microplastics may potentially adsorb organic pollutants, sequestering and making them not bioavailable for enhanced toxicity, evidence with pollutants such as Tetrabromobisphenol A (TBBPA) defers this assertion. TBBPA, one of the most widely used brominated flame retardants, has been enlisted as an emerging contaminant of serious environmental and human health concerns. Being also an additive to plasticware, it is not far to suspect that TBBPA could be found in association with micro/nanoplastics in our environment. Several pieces of evidence from recent studies have confirmed the micro/nanoplastics-TBBPA association and have exposed their compounded detrimental impacts on the environment and human health. This study, therefore, presents a comprehensive and up-to-date review of recent findings regarding their occurrence, factors that foster their association, including their sorption kinetics and isotherms, and their impacts on aquatic/agroecosystem and human health. The way forward and prospects for future studies were presented. This research is believed to be of significant interest to the readership due to its relevance to current environmental challenges posed by plastics and TBBPA. The study not only contributes valuable insights into the specific interaction between micro/nanoplastics and TBBPA but also suggests the way forward and prospects for future studies in this field.


Assuntos
Ecotoxicologia , Poluentes Ambientais , Microplásticos , Bifenil Polibromatos , Humanos , Monitoramento Ambiental , Retardadores de Chama
19.
Environ Res ; 252(Pt 2): 118893, 2024 Apr 09.
Artigo em Inglês | MEDLINE | ID: mdl-38604485

RESUMO

Pesticides can have harmful impacts on the environment and living organisms. Thus, removing them from polluted water is crucial. In this study, a bionanocomposite of carboxymethyl tragacanth-grafted-poly(3-aminophenol)/zinc oxide@iron oxide (CMT-g-P3AP/ZnO@Fe3O4) synthesized by in situ copolymerization as an efficient adsorbent to eliminate the acetamiprid pesticide from polluted water. The CMT-g-P3AP/ZnO@Fe3O4 magnetic nanocomposite was analyzed utilizing various techniques including FTIR, EDX, FESEM, XRD, BET, CHNSO, and TGA. The results displayed that the resulting nanocomposite with maximum adsorption capacity (Qmax) successfully removed the acetamiprid pesticide from polluted water under optimal conditions such as pH of 7.00, 5.00 mg of adsorbent, 20.0 min duration, and 400 mg/L acetamiprid concentration. According to the linear Langmuir isotherm, the Qmax of the biosorbent was 833 mg/g. The experimental adsorption data fitted well with Temkin's nonlinear isotherm model. The adsorption kinetic data were closely related to the Weber-Morris intraparticle diffusion nonlinear model. After three repetitive cycles, CMT-g-P3AP/ZnO@Fe3O4 can be outstandingly renewed and recycled without significant reduction in its adsorption efficacy, as evidenced by the adsorption-desorption experiments. In addition, the CMT-g-P3AP/ZnO@Fe3O4 displayed the good antibacterial activity against E. coli and S. aureus.

20.
Int J Biol Macromol ; 268(Pt 1): 131583, 2024 Apr 14.
Artigo em Inglês | MEDLINE | ID: mdl-38621554

RESUMO

This study evaluated the foaming properties, the dynamic adsorption behavior at the air/water (A/W) interface and the foam rheological characteristics of complexes formed by soy protein isolate (SPI) and different charged polysaccharides, including chitosan (CS), guar gum (GUG) and gellan gum (GEG). The results showed that the SPI/CS10 had the highest initial foam volume (26.67 mL), which were 3.89 %, 100.08 % and 70.19 % higher than that of single SPI, SPI/GUG and SPI/GEG complexes, respectively. Moreover, three charged polysaccharides could all significantly improve the foam stability of complexes. Among them, foams stabilized by SPI/GEG10 were the most stable that the foam volume slightly changed (approximately 1 mL) and no drainage occurred throughout the whole recording process. The interfacial behavior analysis showed that SPI/CS10 had higher diffusion (Kdiff) and rearrangement rate (KR) but lower penetration rate (KP) at the A/W interface compared with single SPI, while SPI/GUG10 and all SPI/GEG complexes showed higher KR and KP but lower Kdiff. In addition, SPI/CS10 was beneficial to concurrently enhance the elastic strength and solid-like behavior of foam system, while all SPI/GEG complexes could improve the elastic strength of foam system but was not conducive to the solid-like behavior.

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