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2.
Sci Rep ; 13(1): 21171, 2023 Dec 01.
Artículo en Inglés | MEDLINE | ID: mdl-38040956

RESUMEN

This study is numerically executed to investigate the influence of heat generation or absorption on free convective flow and temperature transport within a wavy triangular enclosure filled by the nanofluid taking the Brownian effect of nanoparticles. The water (H2O) is employed as base fluid and copper (Cu) as nanoparticles for making effective Cu-H2O nanofluids. The perpendicular sinusoidally wavy wall is cooled at low temperature while the horizontal bottom sidewall is heated non-uniformly (sinusoidal). The inclined wall of the enclosure is insulated. The governing dimensionless non-linear PDEs are executed numerically with the help of the Galerkin weighted residual type finite element technique. The numerically simulated results are displayed through average Nusselt number, isothermal contours, and streamlines for the various model parameters such as Hartmann number, Rayleigh number, heat generation or absorption parameter, nanoparticles volume fraction, and undulation parameter. The outcomes illustrate that the temperature transport rate augments significantly for the enhancement of Rayleigh number as well as nanoparticles volume fraction whereas reduces for the increment of Hartman number. The heat transfer is significantly influenced by the size, shape, and Brownian motion of the nanoparticles. The rate of heat transport increases by 20.43% considering the Brownian effect for 1% nanoparticle volume. The thermal performance increases by 8.66% for the blade shape instead of the spherical shape of nanoparticles. In addition, heat transfer is impacted by the small size of nanoparticles. The thermal transport rate increases by 35.87% when the size of the nanoparticles reduces from 100 to 10 nm. Moreover, the rate of heat transmission increases efficiently as the undulation parameter rises. It is also seen that a crucial factor in the flow of nanofluids and heat transmission is the heat generation/absorption parameter that influences temperature distribution, heat transfer rates, and overall thermal performance.

3.
Heliyon ; 9(8): e18816, 2023 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-37576266

RESUMEN

Recently synthesized industrially significant perovskites Cs3Cu2X5 (X=Cl,Br,I) are subjected to a density functional theory (DFT) investigation utilizing the CASTEP code. This study explores various physical features, including structural, optical, thermodynamic, elastic, mechanical, and electronic properties. There is a strong correlation between the optimized structure parameters and the existing experimental data, which demonstrates the reliability of our DFT-based computations. The band structure and density of states (TDOS and PDOS) analysis revealed that all the studied perovskites are direct band gap semiconductors, and Cs3Cu2Br5 has the smallest band gap (2.092 eV). We also discussed the mechanical and cell stability using the Born stability criterion and formation energy, respectively. The mechanical and dynamic stability of each phase is confirmed by the analysis of the elastic constants. According to the computed values of Pugh's and Poisson's ratios as well as Cauchy's pressure, all of the studied compounds are ductile in nature. The study of density of states, total charge density, and Mulliken atomic populations reveal that all the compounds have complex bonding with both ionic and covalent properties. Finally, utilizing the elastic constant data, the Debye temperatures of Cs3Cu2Cl5, Cs3Cu2Br5, and Cs3Cu2I5 have been determined as 82.90 K, 100.00 K, and 80.70 K, respectively. The analysis of thermodynamics (relatively low values of both ΘD and Kmin) as well as optical properties indicate that all the investigated materials have the potential to serve as thermal barrier coating (TBC) materials.

4.
Sci Total Environ ; 828: 153944, 2022 Jul 01.
Artículo en Inglés | MEDLINE | ID: mdl-35192826

RESUMEN

All nuclear energy producing nations face a common challenge associated with the long-term solution for their used nuclear fuel. After decades of research, many nuclear safety agencies worldwide agree that deep geological repositories (DGRs) are appropriate long-term solutions to protect the biosphere. The Canadian DGR is planned in either stable crystalline or sedimentary host rock (depending on the final site location) to house the used nuclear fuel in copper-coated used fuel containers (UFCs) surrounded by highly compacted bentonite. The copper-coating and bentonite provide robust protection against many corrosion processes anticipated in the DGR. However, it is possible that bisulfide (HS-) produced near the host rock-bentonite interface may transport through the bentonite and corrode the UFCs during the DGR design life (i.e., one million years); although container performance assessments typically account for this process, while maintaining container integrity. Because the DGR design life far exceeds those of practical experimentation, there is a need for robust numerical models to forecast HS- transport. In this paper we present the development of a coupled 3D thermal-hydraulic-chemical model to explore the impact of key coupled physics on HS- transport in the proposed Canadian DGR. These simulations reveal that, although saturation delayed and heating accelerated HS- transport over the first 100s and 10,000s of years, respectively, these times of influence were small compared to the long DGR design life. Consequently, the influence from heating only increased total projected HS- corrosion by <20% and the influence from saturation had a negligible impact (<1%). By comparing the corrosion rate results with a simplified model, it was shown that nearly-steady DGR design parameters governed most of the projected HS- corrosion. Therefore, those parameters need to be carefully resolved to reliably forecast the extent of HS- corrosion.


Asunto(s)
Cáusticos , Residuos Radiactivos , Bentonita , Canadá , Cobre , Residuos Radiactivos/análisis
5.
J Contam Hydrol ; 243: 103870, 2021 12.
Artículo en Inglés | MEDLINE | ID: mdl-34418819

RESUMEN

Subsurface remediation using nanoscale zero valent iron (nZVI) is a promising in-situ technology that can transform certain groundwater contaminants into non-toxic compounds. However, field scale implementation of nZVI technology has faced major challenges due to poor subsurface mobility, limited longevity and well clogging, all leading to a shorter nZVI travel distance. This distance nZVI travels in the subsurface is an important parameter since it influences the amount of contaminants that can be reached and thereby remediated. There are several factors which may affect nZVI travel distance such as groundwater velocity, injection concentration and rate, lag period (duration when nZVI injection is stopped), solution viscosity, and subsurface heterogeneity. Although various studies have been performed to reveal the effect of different factors on nZVI transport in homogeneous domains, few studies have focused on heterogeneous media, which is more representative of field conditions. In this study, a statistical analysis was performed using a two-dimensional numerical model which simulated carboxymethyl cellulose (CMC) stabilized nZVI transport in randomly distributed soil permeability fields of two aquifers to examine the factors that have the greatest impact on nZVI travel distance. Among all possible factors, field scale solution viscosity and injection rate had a statistically significant effect on nZVI travel distance in both the horizontal and vertical directions, as well as, on the attached mass. Additionally, the lag period between injections had a statistically significant effect on the attached mass, but not the travel distance. These results suggest that having a long injection period followed by a short lag phase during field deployment may result in less nZVI attachment. Lastly, aquifer heterogeneity impacted the nZVI spread while the impact of intrinsic groundwater velocity and injection concentration was found not to be statistically significant. Results from this numerical study can aid in field-scale CMC-nZVI injection by identifying key factors for remediation optimization.


Asunto(s)
Restauración y Remediación Ambiental , Agua Subterránea , Nanopartículas del Metal , Carboximetilcelulosa de Sodio , Agua Subterránea/análisis , Hierro/análisis , Nanopartículas del Metal/análisis , Suelo
6.
Inflammopharmacology ; 26(1): 235-250, 2018 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-29063488

RESUMEN

The plant Euphorbia tirucalli Linn has been successfully used as a tribal folk medicine in India and Africa for the management of acute inflammatory, arthritic, nociceptive pain and asthmatic symptoms. The present study was conducted to assess the anti-inflammatory, analgesic, anti-asthmatic and anti-arthritic role of the total steroid and terpenoid rich fractions of the hydro-alcoholic extract of E. tirucalli root (STF-HAETR). STF-HAETR fraction demonstrated 71.25 ± 2.5 and 74.25 ± 5.1% protection against acetic acid-induced pain and central neuropathic pain at 75 and 100 mg/kg doses, respectively. It showed 96.97% protection against acute inflammation at 100 mg/kg with 1.6-fold better activity than the standard drug. The fraction exhibited such efficacy via inhibition of proinflammatory cytokines TNF-α, IFN-γ, by 61.12 and 65.18%, respectively, at 100 µg/mL. Inhibition of cyclooxygenase and Nitric oxide synthase in a dose-dependent manner affirms its analgesic and anti-inflammatory activity. The spectrophotometric analysis reveals that STF-HAETR induces ameliorative effect against heat-induced denaturation of Bovine serum albumin (BSA) and exhibits significant anti-proteinase activity. The plant fraction also demonstrated anti-asthmatic activity by displaying 62.45% protection against histamine induced bronchoconstriction or dyspnoea. Our findings suggest that STF-HAETR could be an effective safe therapeutic agent to treat nociceptive pain, acute inflammation, asthma, and arthritis which may authenticate its traditional use.


Asunto(s)
Antiinflamatorios/farmacología , Euphorbia/química , Inflamación/tratamiento farmacológico , Dolor Nociceptivo/tratamiento farmacológico , Raíces de Plantas/química , Esteroides/farmacología , Terpenos/farmacología , Ácido Acético/farmacología , Analgésicos/farmacología , Animales , Artritis/tratamiento farmacológico , Artritis/metabolismo , Línea Celular Tumoral , Citocinas/metabolismo , Edema/tratamiento farmacológico , Edema/metabolismo , Femenino , Inflamación/metabolismo , Masculino , Medicina Tradicional/métodos , Ratones , Óxido Nítrico/metabolismo , Óxido Nítrico Sintasa/metabolismo , Dolor Nociceptivo/metabolismo , Fitoterapia/métodos , Extractos Vegetales/farmacología , Prostaglandina-Endoperóxido Sintasas/metabolismo , Células RAW 264.7 , Ratas
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