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1.
Sci Total Environ ; 916: 170199, 2024 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-38266729

RESUMO

Herein, the adsorption performance of sulfate ion in water on aluminum nitride nanotube(AlNNT) under the influence of an electric field was investigated using the density functional theory (DFT) calculation method. The model structure stability, adsorption energy, electronic and thermodynamic properties of sulfate ion adsorbed on the surface of AlNNT were studied. The calculation results indicate that sulfate ion reacts with multi-atoms on the surface of AlNNT, forming ionic bonds and undergoing chemical adsorption. As the electric field intensity increases, the adsorption energy and the transfer of electrons from sulfate ion to AlNNT increase, leading to a higher degree of hybridization of atomic orbitals and enhanced multi-atom interactions. Additionally, the thermodynamic data suggests that the adsorption between sulfate ion and AlNNT under electric field can occur spontaneously, the process of which is exothermic. The results of present study are expected to propose a novel method for separation and removal of sulfate pollutants from water.

2.
Math Biosci Eng ; 20(6): 9965-9991, 2023 Mar 27.
Artigo em Inglês | MEDLINE | ID: mdl-37322919

RESUMO

The diffusion of Sulfate ions in concrete is a complex process and affects the performance of concrete. Experiments on the time-dependent distribution of sulfate ions in concrete under the coupling of pressure load, dry-wet circulation, and sulfate attack, and the diffusion coefficient of sulfate ions with various parameters was tested. The applicability of the cellular automata (CA) theory to simulate the diffusion of sulfate ions was discussed. In this paper, a multiparameter cellular automata (MPCA) model was developed to simulate the impacts of load, immersion ways, and sulfate solution concentration for the diffusion of sulfate ions in concrete. The MPCA model was compared with experimental data, considering compressive stress, sulfate solution concentration, and other parameters. The numerical simulations verify the calculation results based on the MPCA model are in good agreement with the test data. Finally, the applicability of the established MPCA model was also discussed.


Assuntos
Compressão de Dados , Difusão , Sulfatos
3.
J Oleo Sci ; 72(4): 481-487, 2023 Mar 30.
Artigo em Inglês | MEDLINE | ID: mdl-36908176

RESUMO

The secondary and tertiary structures of myoglobin were disrupted by sodium dodecyl sulfate (SDS) but were hardly affected by the bile salt, sodium cholate (NaCho). This disruption was induced by the binding of dodecyl sulfate (DS) ions to the protein. In this study, the removal of DS ions bound to the protein was attempted using NaCho. The extent of removal of DS ions was estimated by the restoration of the secondary and tertiary structures of the protein disrupted by SDS. The secondary structural change was followed by monitoring mean residue ellipticity at 222 nm, [θ]222, which was frequently used as a measure of α-helical content. The tertiary structural change was followed by examining the Soret band absorbance of the protein. Evidently, the magnitude of [θ]222 of myoglobin in the SDS solution initially decreased and then increased back to almost its original value as the NaCho concentration increased. The initial decrease in [θ]222 indicated the cooperation of NaCho and SDS in disrupting the secondary structure at low concentrations of both surfactants. This cooperation was also observed in the tertiary structural change as a shift of the Soret band maximum wavelength, λmax, and a decrease in the molar absorption coefficient, εmax, at λmax. Above a certain NaCho concentration, the position of λmax and the magnitude of εmax were also restored to their original states. The secondary and tertiary structures were simultaneously restored by adding NaCho. These recoveries were attributed to removal of the DS ions bound to the protein. This removal might be due to the ability of cholate anions to strip DS ions bound to the protein. The stripped DS ions are more likely to form SDS-NaCho mixed micelles in bulk than SDS-NaCho mixed aggregates on the protein.


Assuntos
Mioglobina , Colato de Sódio , Dodecilsulfato de Sódio/química , Colato de Sódio/química , Íons/química , Micelas
4.
Water Res ; 235: 119909, 2023 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-36996750

RESUMO

Application of poly-aluminum chloride (PACl) coagulant is a popular mode of water treatment worldwide because of the high capacity of PACl to neutralize charge. The manufacture and use of PACls with various basicities in different regions around the world suggest that the characteristics of the raw water are important determinants of the efficacy of PACl application. However, attention has not been fully paid to the effects of water quality other than the substances to be removed. In this study, two typical PACls with different basicities were used to investigate why the performance of PACls depends on the characteristics of the raw water. We focused on the concentrations of inorganic ions in the raw water. Use of high-basicity PACl (HB-PACl) with a high content of polymeric-colloidal species (Alb+Alc) resulted in very slow floc formation and little turbidity removal in raw water with low concentrations of sulfate ions. The performance of the HB-PACl was inferior to that of normal-basicity PACl (NB-PACl), although the charge-neutralization capacity of the HB-PACl was higher. Rates of floc formation were strongly correlated with the rate of aluminum precipitation by hydrolysis reaction, which was identified as an indicator for evaluating the compatibility of raw water with PACl treatment. Among the common ions in natural water, the sulfate ion had the greatest ability to hydrolyze and precipitate PACl because of its divalency and tetrahedral structure. This conclusion followed from experimental results showing similar effects for selenate and chromate ions as for sulfate ions and somewhat smaller effects for thiosulfate ions. Bicarbonate ions and natural organic matter affected PACl hydrolysis-precipitation, but chloride ions, nitrate ions, and cations had little effect on PACl hydrolysis-precipitation. Interestingly, the abilities of sulfate ions to hydrolyze HB-PACl and NB-PACl were very similar, but bicarbonate ions were less effective in hydrolyzing HB-PACl than NB-PACl, and bicarbonate ions contributed little to the hydrolysis-precipitation of HB-PACl in raw water with normal alkalinity. Therefore, sufficient coagulation with HB-PACl therefore usually requires a certain concentration of sulfate ions in water to be treated. The implication is that which anions are most influential to the hydrolysis-precipitation of PACl, and thus to PACl's coagulation ability depends on the constituents of the PACl.


Assuntos
Cloretos , Purificação da Água , Bicarbonatos , Hidróxido de Alumínio/química , Alumínio/química , Sulfatos/química , Purificação da Água/métodos , Floculação
5.
Molecules ; 28(3)2023 Jan 18.
Artigo em Inglês | MEDLINE | ID: mdl-36770649

RESUMO

SO42--containing compounds are widely present in wastewater generated from various industries and mining industries, such as slag leachate, pulp and paper wastewater, modified starch wastewater, etc. When the concentration of SO42- is too high, it will not only be corrosive to metal equipment but also accumulate in the environmental media. Based on this, a novel cationic hydrogel HNM was synthesized in this study by introducing morpholine groups into the conventional hydrogel HEMA-NVP system for the adsorption of SO42- in aqueous solutions. Characterizations by Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS) indicated that morpholine groups had been introduced into the as-synthesizedhydrogels. The scanning electron microscope (SEM) characterization results show that the introduction of morpholine groups changed the surface of the hydrogel from micron-scale wrinkles to nanoscale gaps, increasing the contact area with the solution. The results of static water contact angle (WCA), equilibrium water content (EWC), and SO42- adsorption capacity show that the introduction of morpholine groups not only further improved the equilibrium water content and hydrophilicity of the hydrogel but also greatly improved the SO42- adsorption capacity of the hydrogel, with the maximum SO42- adsorption amount of 21.59 mg/g, which was much higher than that of the hydrogel without morpholine groups of 5.15 mg/g. Further studies found that the adsorption of SO42- on the hydrogel HNM was pH-dependent, and acidic conditions were favorable for the adsorption. Therefore, the introduction of morpholine groups greatly enhanced the ability of conventional HEMA-NVP hydrogels to remove SO42- from aqueous solutions.

6.
Environ Geochem Health ; 44(11): 4157-4171, 2022 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-35022878

RESUMO

Massive quantities of marine sedimentary rock are excavated from urban coastal areas. The excavated rock often releases arsenic with concurrent oxidation of framboidal pyrite, but the arsenic release is naturally suppressed with subsequent atmospheric exposure. The present study evaluated the re-release of arsenic from excavated rock in which arsenic release has been naturally suppressed by the atmospheric exposure in the presence of sulfate ions under various redox conditions using the biological reduction method. The atmospheric exposure and subsequent batch leaching test revealed that the amount of arsenic release that was naturally suppressed corresponded to 1.2% of the total arsenic content. The sequential extraction analysis also showed that the arsenic in the exposed rock was altered to insoluble phases. We observed a re-release of 6.0-18.2% of the total arsenic content under reductive conditions (< + 70 mV of Eh), exceeding the amount of arsenic that was naturally suppressed, even in the presence of sulfate ions. The correlation in the amount of arsenic and iron re-released demonstrates that arsenic re-release under reductive conditions is mainly regulated by the iron dissolution up to 10 mg kg-1 even in the presence of sulfate ion. Further reduction and dissolution of iron did not cause further increase in the arsenic re-release. Therefore, excavated marine sedimentary rock should be reused under redox conditions in which iron is not reduced. Otherwise, treatments such as chemical immobilization should be performed.


Assuntos
Arsênio , Arsênio/análise , Sedimentos Geológicos/química , Oxirredução , Ferro/análise , Sulfatos/análise
7.
Chemosphere ; 294: 133704, 2022 May.
Artigo em Inglês | MEDLINE | ID: mdl-35066083

RESUMO

Developing Fe-based catalysts with high-effective and environmentally friendly features in Fenton-like system for treating wastewater is still a challenge. Novel nitrogen-doped carbon nanosheets with Fe0/Fe3C nano-particles (Fe@NCS-900) were prepared through a simple solvent-free strategy by pyrolyzing the mixture of 2,6-diaminopyridine and ferric chloride hexahydrate under 900 °C. The Fe@NCS-900 possessed almost 100% removal efficiency and 66.5% mineralization rate for the degradation of CBZ in 10 min. Moreover, the Fe@NCS-900 exhibited an apparent first-order constant as high as 0.8809 min-1, which is 22 and 29 times higher than that of the commercial Fe0 and traditional Fenton system, respectively, which could be attribute to the high graphitization degree and rich nitrogen content. Besides, the results of the radical quenching experiments, electron paramagnetic resonance (EPR) and the probe experiments demonstrated that a large number of high valent iron species (Fe (IV)) besides singlet oxygen (1O2) and superoxide radicals (O2•-) existed and contributed to the CBZ degradation. More interestingly, the addition of coexisting anion SO42- in the reaction system could significantly boost the concentration of •OH and SO4•- by 28.3 times and 9.7 times, respectively, resulting in the increase of the apparent first-order constant by 5.9 times (5.1733 min-1), which was entirely different from previous reports that SO42- had no effect on the catalytic activity or even displayed slightly inhibitory effect. In addition, the catalyst exhibited broad pH adaptability in the pH range of 2-9. The intermediate products of CBZ degradation were investigated by liquid chromatography mass spectrometry (LC-MS) and the degradation pathway was proposed. This paper provides new insights for developing a promising Fe-based nitrogen-doped catalyst for practical wastewater treatment.


Assuntos
Carbono , Nanopartículas , Antibacterianos , Nitrogênio , Peróxidos/química , Sulfatos
8.
Materials (Basel) ; 14(18)2021 Sep 19.
Artigo em Inglês | MEDLINE | ID: mdl-34576650

RESUMO

Since a concrete structure exposed to a sulfate environment is subject to surface ion ingress that yields cracking due to concrete swelling, its service life evaluation with an engineering modeling is very important. In this paper, cementitious repair materials containing bacteria, Rhodobacter capsulatus, and porous spores for immobilization were developed, and the service life of RC (Reinforced Concrete) structures with a developed bacteria-coating was evaluated through deterministic and probabilistic methods. Design parameters such protective coating thickness, diffusion coefficient, surface roughness, and exterior sulfate ion concentration were considered, and the service life was evaluated with the changing mean and coefficient of variation (COV) of each factor. From service life evaluation, more conservative results were evaluated with the probabilistic method than the deterministic method, and as a result of the analysis, coating thickness and surface roughness were derived as key design parameters for ensuring service life. In an environment exposed to an exterior sulfate concentration of 200 ppm, using the deterministic method, the service life was 17.3 years without repair, 19.7 years with normal repair mortar, and 29.6 years with the application of bacteria-coating. Additionally, when the probabilistic method is applied in the same environment, the service life was changed to 9.2-16.0 years, 10.5-18.2 years, and 15.4-27.4 years, respectively, depending on the variation of design parameters. The developed bacteria-coating technique showed a 1.47-1.50 times higher service life than the application of normal repair mortar, and the effect was much improved when it had a low COV of around 0.1.

9.
J Hazard Mater ; 416: 125879, 2021 08 15.
Artigo em Inglês | MEDLINE | ID: mdl-34492819

RESUMO

In this study, we synthesized polystyrene coated persulfate polyacrylonitrile beads (PC-PSPANBs) to control persulfate (PS) release for targeted PAHs' degradation in a batch reactor. Initially, the persulfate release rate (ksr = 20.553 h-1) from PSPANBs was fast, but coating the PSPANBs with polystyrene controlled PS release rate (ksr= 2.841 h-1), nearly ten times slower than without coating. When Fe(II) activated PC-PSPANBs applied for 12 h degradation of acenaphthene (ACE), 2-methlynaphthalene (2-MN) and dibenzofuran (DBF), the optimum percent removal efficiencies (% R.Es) were as ACE (82.12%) > DBF (68.57%) > 2-MN (58.80%) and the optimum degradation rate constants (kobs) were found as ACE (11.348 h-1) > 2-MN (3.441 h-1) > DBF (1.101 h-1). The effect of SO42- and Cl- on ACE degradation showed that % R.E and kobs were enhanced with increasing anionic concentrations. The maximum % R.E was achieved for SO42- (76.24%) > Cl- (65.51%), but the highest kobs was in case of Cl- (1.536 h-1) > SO42- (0.510 h-1). The effectiveness of PS release longevity was also found because net degradations of ACE and DBF after first spiking were 12 mg L-1 and 16 mg L-1, while after second spiking were 18 mg L-1 and 10 mg L-1, respectively.


Assuntos
Cloretos , Poluentes Químicos da Água , Oxirredução , Poliestirenos , Sulfatos , Poluentes Químicos da Água/análise
10.
Chem Asian J ; 16(14): 1887-1892, 2021 Jul 19.
Artigo em Inglês | MEDLINE | ID: mdl-34018338

RESUMO

Water pollution derived from organic pollutants is one of the global environmental problems. The Fenton reaction using Fe2+ as a homogeneous catalyst has been known as one of clean methods for oxidative degradation of organic pollutants. Here, a layered double hydroxide (Fe2+ Al3+ -LDH) containing Fe2+ and Al3+ in the structure was used to develop a "heterogeneous" Fenton catalyst capable of mineralizing organic pollutants. We found that sulfate ion (SO4 2- ) immobilized on the Fe2+ Al3+ -LDH significantly facilitated oxidative degradation (mineralization) of phenol as a model compound of water pollutants to carbon dioxide (CO2 ) in a heterogeneous Fenton process. The phenol conversion and mineralization efficiency to CO2 reached >99% and ca. 50%, respectively, even with a reaction time of only 60 min.

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