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1.
Front Chem ; 12: 1349531, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38591058

RESUMO

The immobilization of high-level nuclear waste (HLW) in glass waste matrices provides the key safety function of slowing down radionuclide emissions from an underground disposal site. This study examines the leaching behavior of two major elements, Na and Si, in HLW borosilicate glass simulated from waste of a 1000 MWe class pressurized water reactor (PWR) using response surface methodology and Box-Behnken Design. The design of the experiment was carried out considering three independent variables: the pH of the solution, the contact time, and the leaching temperature, leading to 17 leaching runs performed using the static product consistency test (PCT). The results of statistical analysis (ANOVA: analysis of variance) indicated that the effects of the individual variables and the interactions between them were statistically significant, and the relative consistency of the data further confirmed the model's applicability. Data obtained from the PCT experiments revealed that the leaching behavior of Na and Si in the evaluated waste glass exhibited similar behavior to previously researched glasses for each condition tested.

2.
Sci Rep ; 13(1): 9959, 2023 Jun 20.
Artigo em Inglês | MEDLINE | ID: mdl-37340031

RESUMO

In this paper, the removal efficiency of Cerium (Ce(ΙΙΙ)) and lanthanum (La(ΙΙΙ)) ions from aqueous solution using Amberlite XAD-7 resin impregnated with DEHPA(XAD7-DEHPA) was studied in the batch system. The adsorbent ( XAD7-DEHPA) was characterized by SEM-EDX, FTIR and BET analysis Techniques. The response surface methodology based on the central composite design was applied to model and optimize the removal process and evaluate operating parameters like adsorbent dose (0.05-0.065), initial pH (2-6) and temperature (15-55). Variance analysis showed that the adsorbent dose, pH and temperature were the most effective parameters in the adsorption of Ce(ΙIΙ)and La(IΙI) respectively. The results showed that the optimum adsorption condition was achieved at pH = 6, the optimum amount of absorbent and the equilibrium time equal to 0.6 gr and 180 min, respectively. According to the results, the adsorption percentage of Ce(ΙIΙ) and La(ΙΙΙ) ions onto the aforementioned resin were 99.99% and 78.76% respectively. Langmuir, Freundlich, Temkin and sips isotherm models were applied to describe the equilibrium data. From the results, Langmuir isotherm (R2 (Ce) = 0.999, R2 (La) = 0.998) was found to better correlate the experimental rate data. The maximum adsorption capacity of the adsorbent ( XAD7-DEHPA) for both Ce(IΙI) and La(III) was found to be 8.28 and 5.52 mg g-1 respectively. The kinetic data were fitted to pseudo-first-order, pseudo-second-order and Intra particle diffusion models. Based on the results, the pseudo-first-order model and Intra particle diffusion model described the experimental data as well. In general, the results showed that ( XAD7-DEHPA) resin is an effective adsorbent for the removal of Ce(IΙI) and La(III) ions from aqueous solutions due to its high ability to selectively remove these metals as well as its reusability.

3.
J Mol Graph Model ; 122: 108499, 2023 07.
Artigo em Inglês | MEDLINE | ID: mdl-37116335

RESUMO

In this research, the thermoelectric properties of the (6, 6) two sided-closed single-walled boron nitride nanotube ((6, 6) TSC-SWBNNT) was investigated in the state without impurity and carbon atom impurity instead of boron and nitrogen atoms in the center, left, and right the nanotube. The test conditions were the energy range of -5.5 to 5.5 eV and temperatures of 200, 300, 500, 700, 900, 1100, and 1300 K. Based on the obtained results, with an increase in temperature and the creation of impurities, the band gap is affected and becomes noticeably smaller. At the temperature of 1300 K, the band gap shows the greatest decrease and the peak height shows the least decrease. With increasing temperature, the number of peaks has decreased, suggesting an increase in the mobility of electrons and holes and a decrease in their localization. The Seebeck coefficient figures also changed by replacing carbon atoms with boron and nitrogen atoms in different parts of the nanotube. In addition, the height of the heat conduction peaks increased with increasing temperature. However, the heat conduction values are generally in the range of 9-10 nm, which are small values. With the increase in temperature, ZT values increased such that the highest values corresponded to the temperature of 1300 K. The ZT values higher than 1, especially at high temperatures, show that (6, 6) TSC-SWBNNT nanotubes are suitable candidates for thermoelectric materials.


Assuntos
Carbono , Nanotubos , Temperatura , Boro
4.
J Mol Model ; 29(5): 133, 2023 Apr 10.
Artigo em Inglês | MEDLINE | ID: mdl-37036594

RESUMO

CONTEXT: In this study, the electronic transport of (6, 3) two side-closed single-walled boron nitride nanotubes ((6, 3) TSC-SWBNNTs) located between two electrodes of (5, 5) conductive carbon nanotubes is investigated. Introducing carbon impurities instead of nitrogen and boron atoms in different locations of two side-closed (6, 3) SWBNNTs would change the transmission spectrum and reduce the gap. As the bias voltage increases, the peaks of the transmission spectrum become sharper and narrower. Substituting carbon impurities instead of nitrogen atoms leads to larger currents than substituting carbon impurities instead of boron. For the carbon impurity instead of N atoms, the current in the center is observed to be larger than currents on the left and right sides. In addition, negative resistance can be seen in current-voltage diagrams, which are used in the construction of high-speed electronic switches in electrical circuits. METHOD: Due to the larger number of atoms, the study of structures by the common approach is time-consuming and some times impossible. Hence, in this research, the Quantum ATK simulation software is used to investigate the characteristics of electronic transport. For this purpose, the Slater-Koster method and the tight-closure approximation are used. In this method, the non-equilibrium Green function (NEGF) approach is employed.

5.
Environ Sci Pollut Res Int ; 28(30): 41492-41503, 2021 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-33786760

RESUMO

Impact assessment of building materials is a focused topic in the field of radioecology. A radiological survey has conducted to monitor radioactivity of most common building materials in Semnan Province, Iran, and assess the radiation risk. Activity concentrations of 226Ra, 232Th, and 40K were measured in 29 samples including nine commonly used building materials that were collected from local suppliers and manufacturers, using a high purity germanium gamma-ray detector. The activity concentrations of 226Ra, 232Th, and 40K varied from 6.7±1 to 43.6±9, 5.9±1 to 60±11, and 28.5±3 to 1085±113 Bq kg-1 with averages of 26.8±5, 22.7±4, and 322.4±4 Bq kg-1, respectively. By applying multivariate statistical approach (Pearson correlation, cluster, and principal component analyses (PCA)), the radiological health hazard parameters were analyzed to obtain similarities and correlations between the various samples. The Pearson correlation showed that the 226Ra distribution in the samples is controlled by changing the 232Th concentration. The variance of 95.58% obtained from PCA resulted that the main radiological health hazard parameters exist due to the concentration of 226Ra and 232Th. The resulting dendrogram of cluster analysis also shows a well coincidence with the correlation analysis.


Assuntos
Monitoramento de Radiação , Radioatividade , Rádio (Elemento) , Radiação de Fundo , Materiais de Construção , Irã (Geográfico) , Radioisótopos de Potássio/análise , Rádio (Elemento)/análise , Espectrometria gama , Tório/análise
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