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1.
Langmuir ; 40(11): 5738-5752, 2024 Mar 19.
Article En | MEDLINE | ID: mdl-38450610

The pumpkin leaf was extracted by the decoction method, and it was used as an eco-friendly, nontoxic inhibitor of copper in 0.5 M H2SO4 corrosion media. To evaluate the composition and protective capacity of the pumpkin leaf extract, Fourier infrared spectroscopy, electrochemical testing, XPS, AFM, and SEM were employed. The results showed that the pumpkin leaf extract (PLE) is an effective cathode corrosion inhibitor, exhibiting exceptional protection for copper within a specific temperature range. The corrosion inhibition efficiency of the PLE against copper reached 89.98% when the concentration of the PLE reached 800 mg/L. Furthermore, when the temperature and soaking time increased, the corrosion protection efficiency of 800 mg/L PLE on copper consistently remained above 85%. Analysis of the morphology also indicated that the PLE possesses equally effective protection for copper at different temperatures. Furthermore, XPS analysis reveals that the PLE molecules are indeed adsorbed to form an adsorption film, which is consistent with Langmuir monolayer adsorption. Molecular dynamics simulations and quantum chemical calculations were conducted on the main components of the PLE.


Cucurbita , Corrosion , Copper/chemistry , Steel/chemistry , Plant Extracts/chemistry
2.
Langmuir ; 2024 Feb 06.
Article En | MEDLINE | ID: mdl-38320302

Canavalia gladiata leaf extract (CGLE) is extracted from crop waste employing a water decoction method. By employing electrochemical techniques, morphology analysis, quantum chemical calculations, and other methods, we extensively investigated the anticorrosion efficacy of CGLE on copper within a H2SO4 solution. The outcomes reveal that at 298 K, a CGLE concentration of 800 mg/L attains a remarkable inhibition efficiency (IE) of 96.8%. Additionally, we examined the impact of CGLE on the corrosion resistance of copper at varying temperatures. Even with rising temperatures, CGLE manages to sustain an IE of over 95%. This indicates that CGLE is mainly chemisorption based on the copper, leading to a strong adsorption. The surface test results show a noteworthy decrease in the extent of copper surface corrosion upon the introduction of CGLE. The study of the adsorption model demonstrates the alignment of CGLE adsorption onto the copper with the Langmuir adsorption.

3.
Environ Res ; 251(Pt 1): 118457, 2024 Jun 15.
Article En | MEDLINE | ID: mdl-38382666

Because of their high electrocatalytic activity, sensitivity, selectivity, and long-term stability in electrochemical sensors and biosensors, numerous nanomaterials are being used as suitable electrode materials thanks to developments in nanotechnology. Electrochemical sensors and biosensors are two areas where two-dimensional layered materials (2DLMs) are finding increasing utility due to their unusual structure and physicochemical features. Nanosensors, by their unprecedented sensitivity and minute scale, can probe deeper into the structural integrity of piles, capturing intricacies that traditional tools overlook. These advanced devices detect anomalies, voids, and minute defects in the pile structure with unparalleled granularity. Their effectiveness lies in detection and their capacity to provide real-time feedback on pile health, heralding a shift from reactive to proactive maintenance methodologies. Harvesting data from these nanosensors, data was incorporated into a probabilistic model, executing the reliability index calculations through Monte Carlo simulations. Preliminary outcomes show a commendable enhancement in the predictability of vertical bearing capacity, with the coefficient of variation dwindling by up to 12%. The introduction of nanosensors facilitates instantaneous monitoring and fortifies the long-term stability of pile foundations. This study accentuates the transformative potential of nanosensors in geotechnical engineering.


Nanotechnology , Reproducibility of Results , Electrochemical Techniques/methods , Electrochemical Techniques/instrumentation , Monte Carlo Method , Construction Materials/analysis , Nanostructures
4.
Phys Chem Chem Phys ; 26(5): 4166-4173, 2024 Jan 31.
Article En | MEDLINE | ID: mdl-38230486

This paper provides a detailed analysis of pure CsPbIBr2 and 4% Ce-doped CsPbIBr2 perovskite films, emphasizing their structural, optical and photovoltaic properties. X-ray diffraction confirms a predominant cubic perovskite phase in both samples, with Ce doping leading to the increased crystal size (21 nm to 32 nm). UV-vis spectroscopy reveals a reduced bandgap energy (2.2 eV to 2.1 eV) with Ce doping. Dielectric constant analysis indicates the enhanced permittivity of the Ce-doped sample, crucial for solar-cell light trapping. Energy band structure analysis demonstrates improved photovoltaic cell performance with Ce doping, yielding higher open-circuit voltage, short-circuit current, and efficiency (9.71%) compared to pure CsPbIBr2 (8.02%). Ce doping mitigates electron-hole recombination, enhancing cell stability, electron affinity, and power output. This research underscores the potential of cost-effective, efficient, and stable CsPbIBr2 perovskite solar cells.

5.
RSC Adv ; 13(49): 34308-34321, 2023 Nov 22.
Article En | MEDLINE | ID: mdl-38024970

The nanocomposites of Co0.5Ni0.5Gd0.03Fe1.97O4/graphene nanoplatelets (CNGF/GNPs) were synthesized by a cost-effective sol-gel auto combustion (SGAC) route. The X-ray diffraction analysis confirmed the cubic structure of the as-prepared nanocomposites, and a crystallite size of 32.28 nm was observed for the 7.5 wt% GNPs. Irregular and unique nanoparticles consisting of short stacks of graphene sheets having a platelet shape were confirmed by the morphological analysis of the as-prepared nanocomposites. Raman analysis revealed a spinel crystal structure along with a new vibrational mode due to the GNPs. The energy bandgap was 3.98 eV for the composite with 7.5 wt% GNP concentration. It was observed that the percentage temperature coefficient of resistance (TCR%) rapidly decreased with an increase in temperature both in low- and high-temperature ranges. Dielectric studies carried out in the frequency range 104-107 Hz confirmed that the graphene-added composites had high values for both the real and imaginary parts of permittivity at low frequencies. A decrease in saturation magnetization with an increase in GNP concentration was observed compared with the pure CNGF samples. Hence, the as-prepared composites are useful for application in high-frequency devices as well as spintronics.

7.
Sci Rep ; 12(1): 17170, 2022 10 13.
Article En | MEDLINE | ID: mdl-36229498

According to research, exposing a person to a magnetic field enhances blood flow and minimizes their risk of suffering a heart attack. Ferrohydrodynamics is the study of fluid motion mechanics that is affected by strong magnetic polarisation forces (FHD). Ferrofluids may transmit heat in a variety of ways by using magnetic fluids. This behaviour is demonstrated by liquid-cooled speakers, which utilise less ferrofluid to prevent heat from reaching the speaker coil. This modification boosts the coil's ability to expand, which enables the loudspeaker to create high-fidelity sound. It is investigated how the fluid dynamics of spinning, squeezing plates are affected by thermosolutal convection and a magnetic field dependent (MFD) viscosity. Standard differential equations are used to represent the equations of the modified form of Navier Stokes, Maxwell's, and thermosolutal convection. The magnetic field, modified velocity field equations, and thermosolutal convection equations all yield suitable answers. Additionally computed and thoroughly detailed are the MHD torque and fluid pressure that are imparted to the top plate. To create a technique with quick and certain convergence, the resulting equations for uniform plates are solved using the Homotopy Analysis Method (HAM) with appropriate starting estimates and auxiliary parameters. The validity and reliability of the HAM outcomes are shown by comparing the HAM solutions with the BVP4c numerical solver programme. It has been found that a magnetic Reynolds number lowers the temperature of the fluid as well as the tangential and axial components of the velocity field. Additionally, when the fluid's MFD viscosity rises, the axial and azimuthal components of the magnetic field behave in opposition to one another. This study has applications in the development of new aircraft take-off gear, magnetorheological airbags for automobiles, heating and cooling systems, bio-prosthetics, and biosensor systems.


Convection , Hydrodynamics , Colloids , Humans , Magnetic Fields , Models, Theoretical , Reproducibility of Results , Viscosity
8.
Nanomaterials (Basel) ; 12(19)2022 Sep 20.
Article En | MEDLINE | ID: mdl-36234399

In a magnetic field, two-dimensional (2D) mixed convection is investigated within a zigzagged trapezoidal chamber. The lower side of the trapezoidal chamber is irregular, in particular, a zigzagged wall with different zigzag numbers N. The fluid particles move in the room due to the motion of the upper wall, while the porosity-enthalpy approach represents the melting process. The thermal parameters of the fluid are enhanced by what is called a nano-encapsulated phase change material (NEPCM) consisting of polyurethane as the shell and a nonadecane as the core, while water is used as the base fluid. In order to treat the governing equations, the well-known Galerkin finite element method (GFEM) is applied. In addition, the heat transfer (HT) irreversibility and the fluid friction (FF) irreversibility are compared in terms of the average Bejan number. The main results show that the melt band curve behaves parabolically at smaller values of Reynolds number (Re) and larger values of Hartmann number (Ha). Moreover, minimizing the wave number is better in order to obtain a higher heat transfer rate.

9.
Sci Rep ; 12(1): 16020, 2022 Sep 26.
Article En | MEDLINE | ID: mdl-36163398

Using a thermally stratified water-based nanofluid and a permeable stretching sheet as a simulation environment, this research examines the impact of nanoparticle aggregation on MHD mixed convective stagnation point flow. Nanoparticle aggregation is studied using two modified models: the Krieger-Dougherty and the Maxwell-Bruggeman. The present problem's governing equations were transformed into a solvable mathematical model utilizing legitimate similarity transformations, and numerical solutions were then achieved using shooting with Runge-Kutta Fehlberg (RKF) technique in Mathematica. Equilibrium point flow toward permeable stretching surface is important for the extrusion process because it produces required heat and mass transfer patterns and identifies and clarifies fragmented flow phenomena using diagrams. Nanoparticle volume fraction was shown to have an impact on the solutions' existence range, as well. Alumina and copper nanofluids have better heat transfer properties than regular fluids. The skin friction coefficients and Nusselt number, velocity, temperature profiles for many values of the different parameters were obtained. In addition, the solutions were shown in graphs and tables, and they were explained in detail. A comparison of the current study's results with previous results for a specific instance is undertaken to verify the findings, and excellent agreement between them is observed.

10.
Nanomaterials (Basel) ; 12(17)2022 Sep 05.
Article En | MEDLINE | ID: mdl-36080114

Recently, phase change materials (PCMs) have gained great attention from engineers and researchers due to their exceptional properties for thermal energy storing, which would effectively aid in reducing carbon footprint and support the global transition of using renewable energy. The current research attempts to enhance the thermal performance of a shell-and-tube heat exchanger by means of using PCM and a modified tube design. The enthalpy-porosity method is employed for modelling the phase change. Paraffin wax is treated as PCM and poured within the annulus; the annulus comprises a circular shell and a fined wavy (trefoil-shaped) tube. In addition, copper nanoparticles are incorporated with the base PCM to enhance the thermal conductivity and melting rate. Effects of many factors, including nanoparticle concentration, the orientation of the interior wavy tube, and the fin length, were examined. Results obtained from the current model imply that Cu nanoparticles added to PCM materials improve thermal and melting properties while reducing entropy formation. The highest results (27% decrease in melting time) are obtained when a concentration of nanoparticles of 8% is used. Additionally, the fins' location is critical because fins with 45° inclination could achieve a 50% expedition in the melting process.

11.
Chemosphere ; 307(Pt 3): 135772, 2022 Nov.
Article En | MEDLINE | ID: mdl-35931267

Successful mining soil reclamation promotes ecosystem recovery, reduces negative environmental effects, adds more area for forestry or agricultural purposes, and increases carbon (C) sequestration. In order to increase soil erosion management, improve soil quality, reduce pollutants, and assure safe land application of traditional amendment materials, nanoparticles with exceptionally high deliverability and reactivity may be used as amendments. Iron oxide is being researched for the remediation of industrial soil that is co-contaminated with arsenic (AS) due to the absence of Nano enhanced materials for mine soil reclamation. In order to improve the soil quality of a mine waste that was heavily polluted with As (1807 mg/kg), the effects of iron oxide on the non-specifically and specifically-sorbed As were investigated. Iron oxide was added to the polluted soil at concentrations of 0.5 percent, 2 percent, and 5 percent (w/w). The goal of this work is to define the effect of iron oxide and Zero Valent I nanoparticles (nZVI) in reducing the contamination of soil by the use of soft computing models of extreme learning machines (ELM) with particle swarm optimization (PSO). In this case, the hybrid ELM-PSO has shown good performance as a trustworthy approach after the regression study of RMSE, R-square, and r. The addition of iron oxide dosages decreased the easily accessible As by 92.4 when compared to the untreated soil, with the 5 percent doses having a noticeably greater effect.


Arsenic , Environmental Restoration and Remediation , Soil Pollutants , Arsenic/analysis , Carbon , Ecosystem , Ferric Compounds , Iron , Soil , Soil Pollutants/analysis
12.
Nanomaterials (Basel) ; 12(14)2022 Jul 11.
Article En | MEDLINE | ID: mdl-35889597

In this work, we have performed an investigation to increase our understanding of the motion of a hybrid nanofluid trapped inside a three-dimensional container. The room also includes a three-dimensional heated obstacle of an elliptic cross-section. The top wall of space is horizontally movable and adiabatic, while the lower part is zigzagged and thermally insulated as well. The lateral walls are cold. The container's space is completely replete with Al2O3-Cu/water; the concentration of nanoparticles is 4%. The space is also characterized by the permeability, which is given by the value of the Darcy number (limited between 10-5 and 10-2). This studied system is immersed in a magnetic field with an intensity is defined in terms of Hartmann number (limited between 0 and 100). The thermal buoyancy has a constant impact (Gr = 1000). This study investigates the influences of these parameters and the inclination angle of the obstacle on the heat transfer coefficient and entropy generation. The Galerkin finite element method (GFEM) was the principal technique for obtaining the solution of the main partial equations. Findings from our work may be exploited to depict the conditions for which the system is effective in thermal cooling and the case in which the system is effective in thermal insulation.

13.
Micromachines (Basel) ; 13(5)2022 May 08.
Article En | MEDLINE | ID: mdl-35630212

To date, when considering the dynamics of water conveying multi-walled carbon nanoparticles (MWCNT) through a vertical Cleveland Z-staggered cavity where entropy generation plays a significant role, nothing is known about the increasing Reynold number, Hartmann number, and Darcy number when constant conduction occurs at both sides, but at different temperatures. The system-governing equations were solved using suitable models and the Galerkin Finite Element Method (GFEM). Based on the outcome of the simulation, it is worth noting that increasing the Reynold number causes the inertial force to be enhanced. The velocity of incompressible Darcy-Forchheimer flow at the middle vertical Cleveland Z-staggered cavity declines with a higher Reynold number. Enhancement in the Hartman number causes the velocity at the center of the vertical Cleveland Z-staggered cavity to be reduced due to the associated Lorentz force, which is absent when Ha = 0 and highly significant when Ha = 30. As the Reynold number grows, the Bejan number declines at various levels of the Hartmann number, but increases at multiple levels of the Darcy number.

14.
Nanomaterials (Basel) ; 12(10)2022 May 20.
Article En | MEDLINE | ID: mdl-35630969

This paper presents a numerical simulation of a magneto-convection flow in a 3D chamber. The room has a very specific permeability and a zigzag bottom wall. The fluid used in this study is Al2O3-Cu/water with 4% nanoparticles. The Galerkin finite element technique (GFEM) was developed to solve the main partial equations. The hybrid nanofluid inside the container is subjected to the horizontal motion of the upper wall, an external magnetic field, and a thermal buoyancy force. The present numerical methodology is validated by previous data. The goal of this investigation was to understand and determine the percentage of heat energy transferred between the nanofluid and the bottom wall of the container under the influence of a set of criteria, namely: the movement speed of the upper wall of the cavity (Re = 1 to 500), the amount of permeability (Da = 10-5 to 10-2), the intensity of the external magnetic field (Ha = 0 to 100), the number of zigzags of the lower wall (N = 1 to 4), and the value of thermal buoyancy when the force is constant (Gr = 1000). The contours of the total entropy generation, isotherm, and streamline are represented in order to explain the fluid motion and thermal pattern. It was found that the heat transfer is significant when (N = 4), where the natural convection is dominant and (N = 2), and the forced convection is predominant.

15.
Nanomaterials (Basel) ; 12(9)2022 Apr 26.
Article En | MEDLINE | ID: mdl-35564178

Nanofluids have become important working fluids for many engineering applications as they have better thermal properties than traditional liquids. Thus, this paper addresses heat transfer rates and entropy generation for a Fe3O4/MWCNT-water hybrid nanoliquid inside a three-dimensional triangular porous cavity with a rotating cylinder. The studied cavity is heated by a hot wavy wall at the bottom and subjected to a magnetic field. This problem is solved numerically using the Galerkin finite element method (GFEM). The influential parameters considered are the rotating cylinder speed, Hartmann number (Ha), Darcy number (Da), and undulation number of the wavy wall. The results showed that higher Da and lower Ha values improved the heat transfer rates in the cavity, which was demonstrated by a higher Nusselt number and flow fluidity. The entropy generation due to heat losses was also minimized for the enhanced heat transfer rates. The decrease in Ha from 100 and 0 improved the heat transfer by about 8%, whereas a high rotational speed and high Da values yield optimal results. For example, for Ω = 1000 rad/s and Da = 10-2, the enhancement in the average Nusselt number is about 38% and the drop in the Bejan number is 65% compared to the case of Ω = 0 rad/s and Da = 10-5. Based on the applied conditions, it is recommended to have a high Da, low Ha, one undulation for the wavy wall, and high rotational speed for the cylinder in the flow direction.

16.
Gels ; 8(5)2022 Apr 29.
Article En | MEDLINE | ID: mdl-35621576

Despite cement's superior performance and inexpensive cost compared to other industrial materials, crack development remains a persistent problem in concrete. Given the comparatively low tensile strength, when cracks emerge, a pathway is created for gas and water to enter the cementitious matrix, resulting in steel reinforcement corrosion which compromises the durability of concrete. Superabsorbent hydrogels have been developed as a novel material for enhancing the characteristics of cementitious materials in which they have been demonstrated to decrease autogenous shrinkage and encourage self-healing. This study will detail the design and application of polyelectrolyte hydrogel particles as internal curing agents in concrete and provide new findings on relevant hydrogel-ion interactions. When hydrogel particles are mixed into concrete, they generate their stored water to fuel the curing reaction that results in less cracking and shrinkage, thereby prolonging the service life of the concrete. The interaction of hydrogels with cementitious materials is addressed in this study; the effect of hydrogels on the characteristics and self-healing of cementitious materials was also studied. Incorporating hydrogel particles into cement decreased mixture shrinkage while increasing the production of particular inorganic phases within the vacuum region formerly supplied by the swollen particle. In addition, considering the control paste, cement pastes containing hydrogels exhibited less autogenous shrinkage. The influence of hydrogels on autogenous shrinkage was found to be chemically dependent; the hydrogel with a delayed desorption rate displayed significantly low shrinkage in cement paste.

17.
Int J Biol Macromol ; 209(Pt A): 1234-1247, 2022 Jun 01.
Article En | MEDLINE | ID: mdl-35461866

Chitosan (Ch), vermiculite (V) and lignin (L) were used as the components of a natural composite adsorbent (Ch-VL) for the removal of the UO22+ ions in aqueous solutions. During the study, we recorded and analyzed the initial UO22+ ion concentration, initial pH, contact time, temperature, and recovery. The recycling performance of the Ch-VL composite was assessed by three sequential adsorption/desorption experiments. Adsorption performance of the Ch-VL composite for UO22+ ions was 600 mg L-1 at pH 4.5 and temperature of 25 °C. Thermodynamic findings, ΔH0:28.1 kJ mol-1, and ΔG0:-14.1 kJ mol-1 showed that adsorption behavior was endothermic and spontaneous. Its maximum adsorption capacity was 0.322 mol kg-1, obtained from the Langmuir isotherm model. The adsorption kinetics indicated that it followed the pseudo-second-order and intraparticle diffusion rate kinetics. The adsorption thermodynamic shown indicated that the UO22+ ion adsorption was both spontaneous and endothermic. The adsorption process was enlightened by FT-IR and SEM-EDX analyses. The study suggested a simple and cost-effective approach for the removal of toxic UO22+ ions from wastewater. To highlight the adsorption mechanism, DFT calculations were performed. Theoretical results are in good agreement with experimental observations.


Chitosan , Water Pollutants, Chemical , Water Purification , Adsorption , Aluminum Silicates , Chitosan/chemistry , Hydrogen-Ion Concentration , Ions , Kinetics , Lignin , Spectroscopy, Fourier Transform Infrared , Thermodynamics , Water/chemistry , Water Pollutants, Chemical/chemistry , Water Purification/methods
18.
Micromachines (Basel) ; 13(4)2022 Apr 09.
Article En | MEDLINE | ID: mdl-35457893

The flow of an electroconductive incompressible ternary hybrid nanofluid with heat conduction in a boundary layer including metallic nanoparticles (NPs) over an extended cylindrical with magnetic induction effects is reported in this research. The ternary hybrid nanofluid has been synthesized with the dispersion of titanium dioxide, cobalt ferrite, and magnesium oxide NPs in the base fluid water. For a range of economical and biological applications, a computational model is designed to augment the mass and energy conveyance rate and promote the performance and efficiency of thermal energy propagation. The model has been written as a system of partial differential equations. Which are simplified to the system of ordinary differential equations through similarity replacements. The computing approach parametric continuation method is used to further process the resultant first order differential equations. The results are validated with the bvp4c package for accuracy and validity. The outcomes are displayed and analyzed through Figures and Tables. It has been observed that the inverse Prandtl magnetic number and a larger magnetic constant reduce the fluid flow and elevate the energy profile. The variation of ternary hybrid NPs significantly boosts the thermophysical features of the base fluid.

19.
Micromachines (Basel) ; 13(2)2022 Jan 26.
Article En | MEDLINE | ID: mdl-35208306

The current paper presents a numerical study of the magnetohydrodynamics natural convection and entropy production of Cu-water nanofluid contained in a porous annulus between a heated Koch snowflake and wavy cylinder with lower temperature with respect to the Koch snowflake. The numerical algorithm is based on the Galerkin Finite Element Method. The impacts of Rayleigh number (Ra = 103, 104, 105, and 106), Hartman number (Ha = 0, 25, 50, and 100), Darcy number (Da = 10-2, 10-3, 10-4, and 10-5), nanoparticle volumetric fraction (φ = 2%, 3%, 4%, and 5%), and the undulations number of the outer wavy cylinder (three cases) on the distributions of isotherms, streamlines, mean Nusselt number (Nuavg), as well as on total entropy production and Bejan number are thoroughly examined. The computational outcomes disclose that dispersing more Cu nanoparticles in the base fluid and creating a flow with higher intensity inside the annulus by raising the Rayleigh number bring about a boosted natural convective flow in the cavity, which improves the heat transmission rate. In addition, it can be noted that owing to the peculiar form of the heated Koch snowflake, nanofluid gets trapped between the angled parts, resulting in uneven temperature profiles with higher values in these places.

20.
Int J Mol Sci ; 23(3)2022 Jan 24.
Article En | MEDLINE | ID: mdl-35163241

Dithiocarbamate ligands have the ability to form stable complexes with transition metals, and this chelating ability has been utilized in numerous applications. The complexes have also been used to synthesize other useful compounds. Here, the up-to-date applications of dithiocarbamate ligands and complexes are extensively discussed. Some of these are their use as enzyme inhibitor and treatment of HIV and other diseases. The application as anticancer, antimicrobial, medical imaging and anti-inflammatory agents is examined. Moreover, the application in the industry as vulcanization accelerator, froth flotation collector, antifouling, coatings, lubricant additives and sensors is discussed. The various ways in which they have been employed in synthesis of other compounds are highlighted. Finally, the agricultural uses and remediation of heavy metals via dithiocarbamate compounds are comprehensively discussed.


Thiocarbamates/chemistry , Thiocarbamates/chemical synthesis , Transition Elements/chemistry , Anti-Bacterial Agents/pharmacology , Enzyme Inhibitors , Humans , Ligands , Metals, Heavy , Thiocarbamates/pharmacology
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