Search results for: particle dispersion
1681 A Near Ambient Pressure X-Ray Photoelectron Spectroscopy Study on Platinum Nanoparticles Supported on Zr-Based Metal Organic Frameworks
Authors: Reza Vakili, Xiaolei Fan, Alex Walton
Abstract:
The first near ambient pressure (NAP)-XPS study of CO oxidation over Pt nanoparticles (NPs) incorporated into Zr-based UiO (UiO for Universitetet i Oslo) MOFs was carried out. For this purpose, the MOF-based Catalysts were prepared by wetness impregnation (WI-PtNPs@UiO-67) and linker design (LD-PtNPs@UiO-67) methods along with PtNPs@ZrO₂ as the control catalyst. Firstly, the as-synthesized catalysts were reduced in situ prior to the operando XPS analysis. The existence of Pt(II) species was proved in UiO-67 by observing Pt 4f core level peaks at a high binding energy of 72.6 ± 0.1 eV. However, by heating the WI-PtNPs@UiO-67 catalyst in situ to 200 °C under vacuum, the higher BE components disappear, leaving only the metallic Pt 4f doublet, confirming the formation of Pt NPs. The complete reduction of LD-PtNPs@UiO-67 is achieved at 250 °C and 1 mbar H₂. To understand the chemical state of Pt NPs in UiO-67 during catalytic turnover, we analyzed the Pt 4f region using operando NAP-XPS in the temperature-programmed measurements (100-260 °C) with reference to PtNPs@ZrO₂ catalyst. CO conversion during NAP-XPS experiments with the stoichiometric mixture shows that LD-PtNPs@UiO-67 has a better CO turnover frequency (TOF, 0.066 s⁻¹ at 260 °C) than the other two (ca. 0.055 s⁻¹). Pt 4f peaks only show one chemical species present at all temperatures, but the core level BE shifts change as a function of reaction temperature, i.e., Pt 4f peak from 71.8 eV at T < 200 °C to 71.2 eV at T > 200 °C. As this higher BE state of 71.8 eV was not observed after in situ reductions of the catalysts and only once the CO/O₂ mixture was introduced, we attribute it to the surface saturation of Pt NPs with adsorbed CO. In general, the quantitative analysis of Pt 4f data from the operando NAP-XPS experiments shows that the surface chemistry of the Pt active phase in the two PtNPs@UiO-67 catalysts is the same, comparable to that of PtNPs@ZrO₂. The observed difference in the catalytic activity can be attributed to the particle sizes of Pt NPs, as well as the dispersion of active phase in the support, which are different in the three catalysts.Keywords: CO oxidation, heterogeneous catalysis, MOFs, Metal Organic Frameworks, NAP-XPS, Near Ambient Pressure X-ray Photoelectron Spectroscopy
Procedia PDF Downloads 1381680 Particle Jetting Induced by the Explosive Dispersal
Authors: Kun Xue, Lvlan Miu, Jiarui Li
Abstract:
Jetting structures are widely found in particle rings or shells dispersed by the central explosion. In contrast, some explosive dispersal of particles only results in a dispersed cloud without distinctive structures. Employing the coupling method of the compressible computational fluid mechanics and discrete element method (CCFD-DEM), we reveal the underlying physics governing the formation of the jetting structure, which is related to the competition between the shock compaction and gas infiltration, two major processes during the shock interaction with the granular media. If the shock compaction exceeds the gas infiltration, the discernable jetting structures are expected, precipitated by the agglomerates of fast-moving particles induced by the heterogenous network of force chains. Otherwise, particles are uniformly accelerated by the interstitial flows, and no distinguishable jetting structures are formed. We proceed to devise the phase map of the jetting formation in the space defined by two dimensionless parameters which characterize the timescales of the shock compaction and the gas infiltration, respectively.Keywords: compressible multiphase flows, DEM, granular jetting, pattern formation
Procedia PDF Downloads 771679 Formulation and Evaluation of TDDS for Sustained Release Ondansetron HCL Patches
Authors: Baljinder Singh, Navneet Sharma
Abstract:
The skin can be used as the site for drug administration for continuous transdermal drug infusion into the systemic circulation. For the continuous diffusion/penetration of the drugs through the intact skin surface membrane-moderated systems, matrix dispersion type systems, adhesive diffusion controlled systems and micro reservoir systems have been developed. Various penetration enhancers are used for the drug diffusion through skin. In matrix dispersion type systems, the drug is dispersed in the solvent along with the polymers and solvent allowed to evaporate forming a homogeneous drug-polymer matrix. Matrix type systems were developed in the present study. In the present work, an attempt has been made to develop a matrix-type transdermal therapeutic system comprising of ondansetron-HCl with different ratios of hydrophilic and hydrophobic polymeric combinations using solvent evaporation technique. The physicochemical compatibility of the drug and the polymers was studied by infrared spectroscopy. The results obtained showed no physical-chemical incompatibility between the drug and the polymers. The patches were further subjected to various physical evaluations along with the in-vitro permeation studies using rat skin. On the basis of results obtained form the in vitro study and physical evaluation, the patches containing hydrophilic polymers i.e. polyvinyl alcohol and poly vinyl pyrrolidone with oleic acid as the penetration enhancer(5%) were considered as suitable for large scale manufacturing with a backing layer and a suitable adhesive membrane.Keywords: transdermal drug delivery, penetration enhancers, hydrophilic and hydrophobic polymers, ondansetron HCl
Procedia PDF Downloads 3221678 Numerical Simulation of Urea Water Solution Evaporation Behavior inside the Diesel Selective Catalytic Reduction System
Authors: Kumaresh Selvakumar, Man Young Kim
Abstract:
Selective catalytic reduction (SCR) converts the nitrogen oxides with the aid of a catalyst by adding aqueous urea into the exhaust stream. In this work, the urea water droplets are sprayed over the exhaust gases by treating with Lagrangian particle tracking. The evaporation of ammonia from a single droplet of urea water solution is investigated computationally by convection-diffusion controlled model. The conversion to ammonia due to thermolysis of urea water droplets is measured downstream at different sections using finite rate/eddy dissipation model. In this paper, the mixer installed at the upstream enhances the distribution of ammonia over the entire domain which is calculated for different time steps. Calculations are made within the respective duration such that the complete decomposition of urea is possible at a much shorter residence time.Keywords: convection-diffusion controlled model, lagrangian particle tracking, selective catalytic reduction, thermolysis
Procedia PDF Downloads 4061677 Structural Analysis of Phase Transformation and Particle Formation in Metastable Metallic Thin Films Grown by Plasma-Enhanced Atomic Layer Deposition
Authors: Pouyan Motamedi, Ken Bosnick, Ken Cadien, James Hogan
Abstract:
Growth of conformal ultrathin metal films has attracted a considerable amount of attention recently. Plasma-enhanced atomic layer deposition (PEALD) is a method capable of growing conformal thin films at low temperatures, with an exemplary control over thickness. The authors have recently reported on growth of metastable epitaxial nickel thin films via PEALD, along with a comprehensive characterization of the films and a study on the relationship between the growth parameters and the film characteristics. The goal of the current study is to use the mentioned films as a case study to investigate the temperature-activated phase transformation and agglomeration in ultrathin metallic films. For this purpose, metastable hexagonal nickel thin films were annealed using a controlled heating/cooling apparatus. The transformations in the crystal structure were observed via in-situ synchrotron x-ray diffraction. The samples were annealed to various temperatures in the range of 400-1100° C. The onset and progression of particle formation were studied in-situ via laser measurements. In addition, a four-point probe measurement tool was used to record the changes in the resistivity of the films, which is affected by phase transformation, as well as roughening and agglomeration. Thin films annealed at various temperature steps were then studied via atomic force microscopy, scanning electron microscopy and high-resolution transmission electron microscopy, in order to get a better understanding of the correlated mechanisms, through which phase transformation and particle formation occur. The results indicate that the onset of hcp-to-bcc transformation is at 400°C, while particle formations commences at 590° C. If the annealed films are quenched after transformation, but prior to agglomeration, they show a noticeable drop in resistivity. This can be attributed to the fact that the hcp films are grown epitaxially, and are under severe tensile strain, and annealing leads to relaxation of the mismatch strain. In general, the results shed light on the nature of structural transformation in nickel thin films, as well as metallic thin films, in general.Keywords: atomic layer deposition, metastable, nickel, phase transformation, thin film
Procedia PDF Downloads 3291676 Topical Delivery of Griseofulvin via Lipid Nanoparticles
Authors: Yann Jean Tan, Hui Meng Er, Choy Sin Lee, Shew Fung Wong, Wen Huei Lim
Abstract:
Griseofulvin is a long standing fungistatic agent against dermatophytosis. Nevertheless, it has several drawbacks such as poor and highly variable bio availability, long duration of treatment, systemic side effects and drug interactions. Targeted treatment for the superficial skin infection, dermatophytosis via topical route could be beneficial. Nevertheless, griseofulvin is only available in the form of oral preparation. Hence, it generates interest in developing a topical formulation for griseofulvin, by using lipid nano particle as the vehicle. Lipid nanoparticle is a submicron colloidal carrier with a core that is solid in nature (lipid). It has combined advantages of various traditional carriers and is a promising vehicle for topical delivery. The griseofulvin loaded lipid nano particles produced using high pressure homogenization method were characterized and investigated for its skin targeting effect in vitro. It has a mean particle size of 179.8±4.9 nm with polydispersity index of 0.306±0.011. Besides, it showed higher skin permeation and better skin targeting effect compared to the griseofulvin suspension.Keywords: lipid nanoparticles, griseofulvin, topical, dermatophytosis
Procedia PDF Downloads 4581675 Electrochemical Synthesis of Copper Nanoparticles
Authors: Juan Patricio Ibáñez, Exequiel López
Abstract:
A method for synthesizing copper nanoparticles through an electrochemical approach is proposed, employing surfactants to stabilize the size of the newly formed nanoparticles. The electrolyte was made up of a matrix of H₂SO₄ (190 g/L) having Cu²⁺ (from 3.2 to 9.5 g/L), sodium dodecyl sulfate -SDS- (from 0.5 to 1.0 g/L) and Tween 80 (from 0 to 7.5 mL/L). Tween 80 was used in a molar relation of 1 to 1 with SDS. A glass cell was used, which was in a thermostatic water bath to keep the system temperature, and the electrodes were cathodic copper as an anode and stainless steel 316-L as a cathode. This process was influenced by the control exerted through the initial copper concentration in the electrolyte and the applied current density. Copper nanoparticles of electrolytic purity, exhibiting a spherical morphology of varying sizes with low dispersion, were successfully produced, contingent upon the chemical composition of the electrolyte and current density. The minimum size achieved was 3.0 nm ± 0.9 nm, with an average standard deviation of 2.2 nm throughout the entire process. The deposited copper mass ranged from 0.394 g to 1.848 g per hour (over an area of 25 cm²), accompanied by an average Faradaic efficiency of 30.8% and an average specific energy consumption of 4.4 kWh/kg. The chemical analysis of the product employed X-ray powder diffraction (XRD), while physical characteristics such as size and morphology were assessed using atomic force microscopy (AFM). It was identified that the initial concentration of copper and the current density are the variables defining the size and dispersion of the nanoparticles, as they serve as reactants in the cathodic half-reaction. The presence of surfactants stabilizes the nanoparticle size as their molecules adsorb onto the nanoparticle surface, forming a thick barrier that prevents mass transfer with the exterior and halts further growth.Keywords: copper nanopowder, electrochemical synthesis, current density, surfactant stabilizer
Procedia PDF Downloads 631674 Air Pollution: The Journey from Single Particle Characterization to in vitro Fate
Authors: S. Potgieter-Vermaak, N. Bain, A. Brown, K. Shaw
Abstract:
It is well-known from public news media that air pollution is a health hazard and is responsible for early deaths. The quantification of the relationship between air quality and health is a probing question not easily answered. It is known that airborne particulate matter (APM) <2.5µm deposits in the tracheal and alveoli zones and our research probes the possibility of quantifying pulmonary injury by linking reactive oxygen species (ROS) in these particles to DNA damage. Currently, APM mass concentration is linked to early deaths and limited studies probe the influence of other properties on human health. To predict the full extent and type of impact, particles need to be characterised for chemical composition and structure. APMs are routinely analysed for their bulk composition, but of late analysis on a micro level probing single particle character, using micro-analytical techniques, are considered. The latter, single particle analysis (SPA), permits one to obtain detailed information on chemical character from nano- to micron-sized particles. This paper aims to provide a snapshot of studies using data obtained from chemical characterisation and its link with in-vitro studies to inform on personal health risks. For this purpose, two studies will be compared, namely, the bioaccessibility of the inhalable fraction of urban road dust versus total suspended solids (TSP) collected in the same urban environment. The significant influence of metals such as Cu and Fe in TSP on DNA damage is illustrated. The speciation of Hg (determined by SPA) in different urban environments proved to dictate its bioaccessibility in artificial lung fluids rather than its concentration.Keywords: air pollution, human health, in-vitro studies, particulate matter
Procedia PDF Downloads 2251673 On Energy Condition Violation for Shifting Negative Mass Black Holes
Authors: Manuel Urueña Palomo
Abstract:
In this paper, we introduce the study of a new solution to gravitational singularities by violating the energy conditions of the Penrose Hawking singularity theorems. We consider that a shift to negative energies, and thus, to negative masses, takes place at the event horizon of a black hole, justified by the original, singular and exact Schwarzschild solution. These negative energies are supported by relativistic particle physics considering the negative energy solutions of the Dirac equation, which states that a time transformation shifts to a negative energy particle. In either general relativity or full Newtonian mechanics, these negative masses are predicted to be repulsive. It is demonstrated that the model fits actual observations, and could possibly clarify the size of observed and unexplained supermassive black holes, when considering the inflation that would take place inside the event horizon where massive particles interact antigravitationally. An approximated solution of the model proposed could be simulated in order to compare it with these observations.Keywords: black holes, CPT symmetry, negative mass, time transformation
Procedia PDF Downloads 1491672 Evolution of Predator-prey Body-size Ratio: Spatial Dimensions of Foraging Space
Authors: Xin Chen
Abstract:
It has been widely observed that marine food webs have significantly larger predator–prey body-size ratios compared with their terrestrial counterparts. A number of hypotheses have been proposed to account for such difference on the basis of primary productivity, trophic structure, biophysics, bioenergetics, habitat features, energy efficiency, etc. In this study, an alternative explanation is suggested based on the difference in the spatial dimensions of foraging arenas: terrestrial animals primarily forage in two dimensional arenas, while marine animals mostly forage in three dimensional arenas. Using 2-dimensional and 3-dimensional random walk simulations, it is shown that marine predators with 3-dimensional foraging would normally have a greater foraging efficiency than terrestrial predators with 2-dimensional foraging. Marine prey with 3-dimensional dispersion usually has greater swarms or aggregations than terrestrial prey with 2-dimensional dispersion, which again favours a greater predator foraging efficiency in marine animals. As an analytical tool, a Lotka-Volterra based adaptive dynamical model is developed with the predator-prey ratio embedded as an adaptive variable. The model predicts that high predator foraging efficiency and high prey conversion rate will dynamically lead to the evolution of a greater predator-prey ratio. Therefore, marine food webs with 3-dimensional foraging space, which generally have higher predator foraging efficiency, will evolve a greater predator-prey ratio than terrestrial food webs.Keywords: predator-prey, body size, lotka-volterra, random walk, foraging efficiency
Procedia PDF Downloads 771671 Determination of Optimum Conditions for the Leaching of Oxidized Copper Ores with Ammonium Nitrate
Authors: Javier Paul Montalvo Andia, Adriana Larrea Valdivia, Adolfo Pillihuaman Zambrano
Abstract:
The most common lixiviant in the leaching process of copper minerals is H₂SO₄, however, the current situation requires more environmentally friendly reagents and in certain situations that have a lower consumption due to the presence of undesirable gangue as muscovite or kaolinite that can make the process unfeasible. The present work studied the leaching of an oxidized copper mineral in an aqueous solution of ammonium nitrate, in order to obtain the optimum leaching conditions of the copper contained in the malachite mineral from Peru. The copper ore studied comes from a deposit in southern Peru and was characterized by X-ray diffractometer, inductively coupled-plasma emission spectrometer (ICP-OES) and atomic absorption spectrophotometry (AAS). The experiments were developed in batch reactor of 600 mL where the parameters as; temperature, pH, ammonium nitrate concentration, particle size and stirring speed were controlled according to experimental planning. The sample solution was analyzed for copper by atomic absorption spectrophotometry (AAS). A simulation in the HSC Chemistry 6.0 program showed that the predominance of the copper compounds of a Cu-H₂O aqueous system is altered by the presence in the system of ammonium complexes, the compound being thermodynamically more stable Cu(NH3)₄²⁺, which predominates in pH ranges from 8.5 to 10 at a temperature of 25 °C. The optimum conditions for copper leaching of the malachite mineral were a stirring speed of 600 rpm, an ammonium nitrate concentration of 4M, a particle diameter of 53 um and temperature of 62 °C. These results showed that the leaching of copper increases with increasing concentration of the ammonium solution, increasing the stirring rate, increasing the temperature and decreasing the particle diameter. Finally, the recovery of copper in optimum conditions was above 80%.Keywords: ammonium nitrate, malachite, copper oxide, leaching
Procedia PDF Downloads 1891670 Simulation of a Pressure Driven Based Subsonic Steady Gaseous Flow inside a Micro Channel Using Direct Simulation Monte-Carlo Method
Authors: Asghar Ebrahimi, Elyas Lakzian
Abstract:
For the analysis of flow inside micro geometries, classical CFD methods can not accurately predict the behavior of flow. Alternatively, the gas flow through micro geometries can be investigated precisely using the direct simulation Monte Carlo (DSMC) method. In the present paper, a pressure boundary condition is utilized to simulate a gaseous flow inside a micro channel using the DSMC method. Accuracy of simulation is guaranteed by choosing proper cell dimension and number of particle per cell analysis. Also, results of simulation are compared with the results of reliable references. Good agreement with results certifies the correctness of new boundary condition implemented on the micro channel.Keywords: pressure boundary condition, DSMC, micro channel, cell dimension, particle per cell
Procedia PDF Downloads 4781669 Multi-Scale Modeling of Ti-6Al-4V Mechanical Behavior: Size, Dispersion and Crystallographic Texture of Grains Effects
Authors: Fatna Benmessaoud, Mohammed Cheikh, Vencent Velay, Vanessa Vidal, Farhad Rezai-Aria, Christine Boher
Abstract:
Ti-6Al-4V titanium alloy is one of the most widely used materials in aeronautical and aerospace industries. Because of its high specific strength, good fatigue, and corrosion resistance, this alloy is very suitable for moderate temperature applications. At room temperature, Ti-6Al-4V mechanical behavior is generally controlled by the behavior of alpha phase (beta phase percent is less than 8%). The plastic strain of this phase notably based on crystallographic slip can be hindered by various obstacles and mechanisms (crystal lattice friction, sessile dislocations, strengthening by solute atoms and grain boundaries…). The grains aspect of alpha phase (its morphology and texture) and the nature of its crystallographic lattice (which is hexagonal compact) give to plastic strain heterogeneous, discontinuous and anisotropic characteristics at the local scale. The aim of this work is to develop a multi-scale model for Ti-6Al-4V mechanical behavior using crystal plasticity approach; this multi-scale model is used then to investigate grains size, dispersion of grains size, crystallographic texture and slip systems activation effects on Ti-6Al-4V mechanical behavior under monotone quasi-static loading. Nine representative elementary volume (REV) are built for taking into account the physical elements (grains size, dispersion and crystallographic) mentioned above, then boundary conditions of tension test are applied. Finally, simulation of the mechanical behavior of Ti-6Al-4V and study of slip systems activation in alpha phase is reported. The results show that the macroscopic mechanical behavior of Ti-6Al-4V is strongly linked to the active slip systems family (prismatic, basal or pyramidal). The crystallographic texture determines which family of slip systems can be activated; therefore it gives to the plastic strain a heterogeneous character thus an anisotropic macroscopic mechanical behavior of Ti-6Al-4V alloy modeled. The grains size influences also on mechanical proprieties of Ti-6Al-4V, especially on the yield stress; by decreasing of the grain size, the yield strength increases. Finally, the grains' distribution which characterizes the morphology aspect (homogeneous or heterogeneous) gives to the deformation fields distribution enough heterogeneity because the crystallographic slip is easier in large grains compared to small grains, which generates a localization of plastic deformation in certain areas and a concentration of stresses in others.Keywords: multi-scale modeling, Ti-6Al-4V alloy, crystal plasticity, grains size, crystallographic texture
Procedia PDF Downloads 1571668 Chitosan Stabilized Oil-in-Water Pickering Emulsion Optimized for Food-Grade Application
Authors: Ankit Patil, Tushar D. Deshpande, Yogesh M. Nimdeo
Abstract:
Pickering emulsions (PE) were developed in response to increased demand for organic, eco-friendly, and biocompatible products. These emulsions are usually stabilized by solid particles. In this research, we created chitosan-based sunflower oil-in-water (O/W) PE without the need for a surfactant. In our work, we employed chitosan, a biopolymer derived from chitin, as a stabilizer. This decision was influenced by chitosan's biocompatibility and biodegradability, as well as its anti-inflammatory and antibacterial capabilities. It also has other functional properties, such as antioxidant activity, a probiotic delivery mechanism, and the ability to encapsulate bioactive compounds. The purpose of this study was to govern key parameters that can be changed to obtain stable PE, such as the concentration of chitosan (0.3-0.5 wt.%), the concentration of oil (0.8-1 vol%), the pH of the emulsion (3-7) manipulated by the addition of 1M HCl/ 4M NaOH, and the amount of electrolyte (NaCl-0-300mM) added to increase or decrease ionic strength. A careful combination of these properties resulted in the production of the most stable and optimal PE. Particle size study found that emulsions with pH 6, 0.4% chitosan, and 300 mM salts were exceptionally stable, with droplet size 886 nm, PI of 0.1702, and zeta potential of 32.753.83 mV. It is fair to infer that when ionic strength rises, particle size, zeta potential, and PI value decrease. A lower PI value suggests that emulsion nanoparticles are more homogeneous. The addition of sodium chloride increases the ionic strength of the emulsion, facilitating the formation of more compact and ordered particle layers. These findings provide light on the creation of stimulus-responsive chitosan-based PE capable of encapsulating bioactive materials, functioning as antioxidants, and serving as food-grade emulsifiers.Keywords: pickering emulsion, biocompatibility, eco-friendly, chitosan
Procedia PDF Downloads 2381667 Multi-Criteria Optimal Management Strategy for in-situ Bioremediation of LNAPL Contaminated Aquifer Using Particle Swarm Optimization
Authors: Deepak Kumar, Jahangeer, Brijesh Kumar Yadav, Shashi Mathur
Abstract:
In-situ remediation is a technique which can remediate either surface or groundwater at the site of contamination. In the present study, simulation optimization approach has been used to develop management strategy for remediating LNAPL (Light Non-Aqueous Phase Liquid) contaminated aquifers. Benzene, toluene, ethyl benzene and xylene are the main component of LNAPL contaminant. Collectively, these contaminants are known as BTEX. In in-situ bioremediation process, a set of injection and extraction wells are installed. Injection wells supply oxygen and other nutrient which convert BTEX into carbon dioxide and water with the help of indigenous soil bacteria. On the other hand, extraction wells check the movement of plume along downstream. In this study, optimal design of the system has been done using PSO (Particle Swarm Optimization) algorithm. A comprehensive management strategy for pumping of injection and extraction wells has been done to attain a maximum allowable concentration of 5 ppm and 4.5 ppm. The management strategy comprises determination of pumping rates, the total pumping volume and the total running cost incurred for each potential injection and extraction well. The results indicate a high pumping rate for injection wells during the initial management period since it facilitates the availability of oxygen and other nutrients necessary for biodegradation, however it is low during the third year on account of sufficient oxygen availability. This is because the contaminant is assumed to have biodegraded by the end of the third year when the concentration drops to a permissible level.Keywords: groundwater, in-situ bioremediation, light non-aqueous phase liquid, BTEX, particle swarm optimization
Procedia PDF Downloads 4451666 Accurate Binding Energy of Ytterbium Dimer from Ab Initio Calculations and Ultracold Photoassociation Spectroscopy
Authors: Giorgio Visentin, Alexei A. Buchachenko
Abstract:
Recent proposals to use Yb dimer as an optical clock and as a sensor for non-Newtonian gravity imply the knowledge of its interaction potential. Here, the ground-state Born-Oppenheimer Yb₂ potential energy curve is represented by a semi-analytical function, consisting of short- and long-range contributions. For the former, the systematic ab initio all-electron exact 2-component scalar-relativistic CCSD(T) calculations are carried out. Special care is taken to saturate diffuse basis set component with the atom- and bond-centered primitives and reach the complete basis set limit through n = D, T, Q sequence of the correlation-consistent polarized n-zeta basis sets. Similar approaches are used to the long-range dipole and quadrupole dispersion terms by implementing the CCSD(3) polarization propagator method for dynamic polarizabilities. Dispersion coefficients are then computed through Casimir-Polder integration. The semiclassical constraint on the number of the bound vibrational levels known for the ¹⁷⁴Yb isotope is used to scale the potential function. The scaling, based on the most accurate ab initio results, bounds the interaction energy of two Yb atoms within the narrow 734 ± 4 cm⁻¹ range, in reasonable agreement with the previous ab initio-based estimations. The resulting potentials can be used as the reference for more sophisticated models that go beyond the Born-Oppenheimer approximation and provide the means of their uncertainty estimations. The work is supported by Russian Science Foundation grant # 17-13-01466.Keywords: ab initio coupled cluster methods, interaction potential, semi-analytical function, ytterbium dimer
Procedia PDF Downloads 1521665 Silver Nanoparticles-Enhanced Luminescence Spectra of Silicon Nanocrystals
Authors: Khamael M. Abualnaja, Lidija Šiller, Benjamin R. Horrocks
Abstract:
Metal-enhanced luminescence of silicon nano crystals (SiNCs) was determined using two different particle sizes of silver nano particles (AgNPs). SiNCs have been characterized by scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR) and X-ray photo electron spectroscopy (XPS). It is found that the SiNCs are crystalline with an average diameter of 65 nm and FCC lattice. AgNPs were synthesized using photochemical reduction of AgNO3 with sodium dodecyl sulphate (SDS). The enhanced luminescence of SiNCs by AgNPs was evaluated by confocal Raman microspectroscopy. Enhancement up to ×9 and ×3 times were observed for SiNCs that mixed with AgNPs which have an average particle size of 100 nm and 30 nm, respectively. Silver NPs-enhanced luminescence of SiNCs occurs as a result of the coupling between the excitation laser light and the plasmon bands of AgNPs; thus this intense field at AgNPs surface couples strongly to SiNCs.Keywords: silver nanoparticles, surface enhanced raman spectroscopy (SERS), silicon nanocrystals, luminescence
Procedia PDF Downloads 4211664 Shear Strength Characteristics of Sand Mixed with Particulate Rubber
Authors: Firas Daghistani, Hossam Abuel Naga
Abstract:
Waste tyres is a global problem that has a negative effect on the environment, where there are approximately one billion waste tyres discarded worldwide yearly. Waste tyres are discarded in stockpiles, where they provide harm to the environment in many ways. Finding applications to these materials can help in reducing this global problem. One of these applications is recycling these waste materials and using them in geotechnical engineering. Recycled waste tyre particulates can be mixed with sand to form a lightweight material with varying shear strength characteristics. Contradicting results were found in the literature on the inclusion of particulate rubber to sand, where some experiments found that the inclusion of particulate rubber can increase the shear strength of the mixture, while other experiments stated that the addition of particulate rubber decreases the shear strength of the mixture. This research further investigates the inclusion of particulate rubber to sand and whether it can increase or decrease the shear strength characteristics of the mixture. For the experiment, a series of direct shear tests were performed on a poorly graded sand with a mean particle size of 0.32 mm mixed with recycled poorly graded particulate rubber with a mean particle size of 0.51 mm. The shear tests were performedon four normal stresses 30, 55, 105, 200 kPa at a shear rate of 1 mm/minute. Different percentages ofparticulate rubber content were used in the mixture i.e., 10%, 20%, 30% and 50% of sand dry weight at three density states, namely loose, slight dense, and dense state. The size ratio of the mixture,which is the mean particle size of the particulate rubber divided by the mean particle size of the sand, was 1.59. The results identified multiple parameters that can influence the shear strength of the mixture. The parameters were: normal stress, particulate rubber content, mixture gradation, mixture size ratio, and the mixture’s density. The inclusion of particulate rubber tosand showed a decrease to the internal friction angle and an increase to the apparent cohesion. Overall, the inclusion of particulate rubber did not have a significant influenceon the shear strength of the mixture. For all the dense states at the low normal stresses 33 and 55 kPa, the inclusion of particulate rubber showed aslight increase in the shear strength where the peak was at 20% rubber content of the sand’s dry weight. On the other hand, at the high normal stresses 105, and 200 kPa, there was a slight decrease in the shear strength.Keywords: shear strength, direct shear, sand-rubber mixture, waste material, granular material
Procedia PDF Downloads 1321663 Two Quasiparticle Rotor Model for Deformed Nuclei
Authors: Alpana Goel, Kawalpreet Kalra
Abstract:
The study of level structures of deformed nuclei is the most complex topic in nuclear physics. For the description of level structure, a simple model is good enough to bring out the basic features which may then be further refined. The low lying level structures of these nuclei can, therefore, be understood in terms of Two Quasiparticle plus axially symmetric Rotor Model (TQPRM). The formulation of TQPRM for deformed nuclei has been presented. The analysis of available experimental data on two quasiparticle rotational bands of deformed nuclei present unusual features like signature dependence, odd-even staggering, signature inversion and signature reversal in two quasiparticle rotational bands of deformed nuclei. These signature effects are well discussed within the framework of TQPRM. The model is well efficient in reproducing the large odd-even staggering and anomalous features observed in even-even and odd-odd deformed nuclei. The effect of particle-particle and the Coriolis coupling is well established from the model. Detailed description of the model with implications to deformed nuclei is presented in the paper.Keywords: deformed nuclei, signature effects, signature inversion, signature reversal
Procedia PDF Downloads 1581662 Determining Sources of Sediments at Nkula Dam in the Middle Shire River, Malawi, Using Mineral Magnetic Approach
Authors: M. K. Mzuza, W. Zhang, L. S. Chapola, M. Tembo
Abstract:
Shire River is the largest and longest river in Malawi emptying its water into the Zambezi River in Mozambique. Siltation is now a major problem in the Shire River due to catchment degradation. This study analysed soil samples from tributaries of the Shire River to determine sources of sediments that cause siltation using the mineral magnetic approach. Bulk sediments and separated particle size fractions of representative samples were collected from tributaries on the western and eastern sides of the Shire River, and Nkula Dam. Eastern tributaries showed relatively higher ferrimagnetic mineral contents and ferrimagnetic to anti ferromagnetic ratios than western tributaries. Sediments from both sides of the Shire River were distinguished by χARM, SIRM versus χlf and S-100 versus SIRM. Findings in this study showed that most of the sediments originated from the western part of the Shire River. Tributaries on the eastern side of the Shire River had higher values for concentration related parameters (χlf, χfd, χARM, SIRM, HIRM, S-100, and χARM/SIRM) than tributaries on the western side. Bulky and detailed magnetic measurements carried out on particle size fractions provided additional confirmation of magnetic contrasts between the two sides of the river suggesting differences in lithology, topography, climate and weather regimes in the catchments. This study demonstrated that the magnetic approach can provide a reliable means of understanding major sediment sources of Nkula Dam and similar situations. It can also help to assess future variations in sediment composition resulting from catchment changesKeywords: ferrimagnetic minerals, Shire River, tributaries rivers, particle size , topography
Procedia PDF Downloads 4681661 Effects of Different Processing Methods on Composition, Physicochemical and Morphological Properties of MR263 Rice Flour
Authors: R. Asmeda, A. Noorlaila, M. H. Norziah
Abstract:
This research work was conducted to investigate the effects of different grinding techniques during the milling process of rice grains on physicochemical characteristics of rice flour produced. Dry grinding, semi-wet grinding, and wet grinding were employed to produce the rice flour. The results indicated that different grinding methods significantly (p ≤ 0.05) affected physicochemical and functional properties of starch except for the carbohydrate content, x-ray diffraction pattern and breakdown viscosity. Dry grinding technique caused highest percentage of starch damage compared to semi-wet and wet grinding. Protein, fat and ash content were highest in rice flour obtained by dry grinding. It was found that wet grinding produce flour with smallest average particle size (8.52 µm), resulting in highest process yield (73.14%). Pasting profiles revealed that dry grinding produce rice flour with significantly lowest pasting temperature and highest setback viscosity.Keywords: average particle size, grinding techniques, physicochemical characteristics, rice flour
Procedia PDF Downloads 1911660 Simulation of Focusing of Diamagnetic Particles in Ferrofluid Microflows with a Single Set of Overhead Permanent Magnets
Authors: Shuang Chen, Zongqian Shi, Jiajia Sun, Mingjia Li
Abstract:
Microfluidics is a technology that small amounts of fluids are manipulated using channels with dimensions of tens to hundreds of micrometers. At present, this significant technology is required for several applications in some fields, including disease diagnostics, genetic engineering, and environmental monitoring, etc. Among these fields, manipulation of microparticles and cells in microfluidic device, especially separation, have aroused general concern. In magnetic field, the separation methods include positive and negative magnetophoresis. By comparison, negative magnetophoresis is a label-free technology. It has many advantages, e.g., easy operation, low cost, and simple design. Before the separation of particles or cells, focusing them into a single tight stream is usually a necessary upstream operation. In this work, the focusing of diamagnetic particles in ferrofluid microflows with a single set of overhead permanent magnets is investigated numerically. The geometric model of the simulation is based on the configuration of previous experiments. The straight microchannel is 24mm long and has a rectangular cross-section of 100μm in width and 50μm in depth. The spherical diamagnetic particles of 10μm in diameter are suspended into ferrofluid. The initial concentration of the ferrofluid c₀ is 0.096%, and the flow rate of the ferrofluid is 1.8mL/h. The magnetic field is induced by five identical rectangular neodymium−iron− boron permanent magnets (1/8 × 1/8 × 1/8 in.), and it is calculated by equivalent charge source (ECS) method. The flow of the ferrofluid is governed by the Navier–Stokes equations. The trajectories of particles are solved by the discrete phase model (DPM) in the ANSYS FLUENT program. The positions of diamagnetic particles are recorded by transient simulation. Compared with the results of the mentioned experiments, our simulation shows consistent results that diamagnetic particles are gradually focused in ferrofluid under magnetic field. Besides, the diamagnetic particle focusing is studied by varying the flow rate of the ferrofluid. It is in agreement with the experiment that the diamagnetic particle focusing is better with the increase of the flow rate. Furthermore, it is investigated that the diamagnetic particle focusing is affected by other factors, e.g., the width and depth of the microchannel, the concentration of the ferrofluid and the diameter of diamagnetic particles.Keywords: diamagnetic particle, focusing, microfluidics, permanent magnet
Procedia PDF Downloads 1301659 A Lagrangian Hamiltonian Computational Method for Hyper-Elastic Structural Dynamics
Authors: Hosein Falahaty, Hitoshi Gotoh, Abbas Khayyer
Abstract:
Performance of a Hamiltonian based particle method in simulation of nonlinear structural dynamics is subjected to investigation in terms of stability and accuracy. The governing equation of motion is derived based on Hamilton's principle of least action, while the deformation gradient is obtained according to Weighted Least Square method. The hyper-elasticity models of Saint Venant-Kirchhoff and a compressible version similar to Mooney- Rivlin are engaged for the calculation of second Piola-Kirchhoff stress tensor, respectively. Stability along with accuracy of numerical model is verified by reproducing critical stress fields in static and dynamic responses. As the results, although performance of Hamiltonian based model is evaluated as being acceptable in dealing with intense extensional stress fields, however kinds of instabilities reveal in the case of violent collision which can be most likely attributed to zero energy singular modes.Keywords: Hamilton's principle of least action, particle-based method, hyper-elasticity, analysis of stability
Procedia PDF Downloads 3411658 Synthesis of DHA Rich Glycerides with Immobilized Lipases from Mucor miehei and Rhizopus oryzae
Authors: Satyendra P. Chaurasia, Aditi Sharma, Ajay K. Dalai
Abstract:
The esterification of Docosahexaenoic acid (DHA) with glycerol using immobilized Mucor mie-hei lipase (MML) and Rhizopus oryzae lipase (ROL) have been studied in the present paper to synthesize triglycerides (TG) rich in DHA. Both immobilized lipases (MML and ROL), and their support materials (immobead-150 and ion-exchange resin) were characterized and compared for surface properties with BET, for chemical functional groups with FT-IR, and for particle size distribution with particle size analyzer. The most suitable reaction conditions for synthesis of DHA rich TG in biphasic solvent system were found as 1:3 (wt/wt) glycerol to DHA ratio, 1:1 (wt/wt) buffer to DHA ratio, 1:1 (wt/wt) solvent to DHA ratio at 50 ºC temperature, and 600 rpm speed of agitation with 100 mg of immobilized lipases. Maximum 95.9 % esterification was obtained with immobilized MML in 14 days reaction with formation of 65.7 wt% DHA rich TG. Whereas, immobilized ROL has shown formation of only 23.8 wt% DHA rich TG with total 78.9 % esterification in 15 days. Additionally, repeated use of both immobilized lipases was con-ducted up to five cycles, indicated 50.4% and 41.2 % activity retention after fifth repeated use of immobilized MML and ROL, respectively.Keywords: DHA, immobilized Mucor miehei lipase, Rhizopus oryzae lipase, esterification
Procedia PDF Downloads 3531657 Application of Particle Swarm Optimization to Thermal Sensor Placement for Smart Grid
Authors: Hung-Shuo Wu, Huan-Chieh Chiu, Xiang-Yao Zheng, Yu-Cheng Yang, Chien-Hao Wang, Jen-Cheng Wang, Chwan-Lu Tseng, Joe-Air Jiang
Abstract:
Dynamic Thermal Rating (DTR) provides crucial information by estimating the ampacity of transmission lines to improve power dispatching efficiency. To perform the DTR, it is necessary to install on-line thermal sensors to monitor conductor temperature and weather variables. A simple and intuitive strategy is to allocate a thermal sensor to every span of transmission lines, but the cost of sensors might be too high to bear. To deal with the cost issue, a thermal sensor placement problem must be solved. This research proposes and implements a hybrid algorithm which combines proper orthogonal decomposition (POD) with particle swarm optimization (PSO) methods. The proposed hybrid algorithm solves a multi-objective optimization problem that concludes the minimum number of sensors and the minimum error on conductor temperature, and the optimal sensor placement is determined simultaneously. The data of 345 kV transmission lines and the hourly weather data from the Taiwan Power Company and Central Weather Bureau (CWB), respectively, are used by the proposed method. The simulated results indicate that the number of sensors could be reduced using the optimal placement method proposed by the study and an acceptable error on conductor temperature could be achieved. This study provides power companies with a reliable reference for efficiently monitoring and managing their power grids.Keywords: dynamic thermal rating, proper orthogonal decomposition, particle swarm optimization, sensor placement, smart grid
Procedia PDF Downloads 4321656 Development of Natural Zeolites Adsorbent: Preliminary Study on Water-Isopropyl Alcohol Adsorption in a Close-Loop Continuous Adsorber
Authors: Sang Kompiang Wirawan, Pandu Prabowo Jati, I Wayan Warmada
Abstract:
Klaten Indonesian natural zeolite can be used as powder or pellet adsorbent. Pellet adsorbent has been made from activated natural zeolite powder by a conventional pressing method. Starch and formaldehyde were added as binder to strengthen the construction of zeolite pellet. To increase the absorptivity and its capacity, natural zeolite was activated first chemically and thermally. This research examined adsorption process of water from Isopropyl Alcohol (IPA)-water system using zeolite adsorbent pellet from natural zeolite powder which has been activated with H2SO4 0.1 M and 0.3 M. Adsorbent was pelleted by pressing apparatus at certain pressure to make specification in 1.96 cm diameter, 0.68 cm thickness which the natural zeolite powder (-80 mesh). The system of isopropyl-alcohol water contained 80% isopropyl-alcohol. Adsorption process was held in close-loop continuous apparatus which the zeolite pellet was put inside a column and the solution of IPA-water was circulated at certain flow. Concentration changing was examined thoroughly at a certain time. This adsorption process included mass transfer from bulk liquid into film layer and from film layer into the solid particle. Analysis of rate constant was using first order isotherm model that simulated with MATLAB. Besides using first order isotherm, intra-particle diffusion model was proposed by using pore diffusion model. The study shows that adsorbent activated by H2SO4 0.1 M has good absorptivity with mass transfer constant at 0.1286 min-1.Keywords: intra-particle diffusion, fractional attainment, first order isotherm, zeolite
Procedia PDF Downloads 3111655 Execution of Optimization Algorithm in Cascaded H-Bridge Multilevel Inverter
Authors: M. Suresh Kumar, K. Ramani
Abstract:
This paper proposed the harmonic elimination of Cascaded H-Bridge Multi-Level Inverter by using Selective Harmonic Elimination-Pulse Width Modulation method programmed with Particle Swarm Optimization algorithm. PSO method determine proficiently the required switching angles to eliminate low order harmonics up to the 11th order from the inverter output voltage waveform while keeping the magnitude of the fundamental harmonics at the desired value. Results demonstrate that the proposed method does efficiently eliminate a great number of specific harmonics and the output voltage is resulted in minimum Total Harmonic Distortion. The results shown that the PSO algorithm attain successfully to the global solution faster than other algorithms.Keywords: multi-level inverter, Selective Harmonic Elimination Pulse Width Modulation (SHEPWM), Particle Swarm Optimization (PSO), Total Harmonic Distortion (THD)
Procedia PDF Downloads 6031654 The Formulation of Inference Fuzzy System as a Valuation Subsidiary Based Particle Swarm Optimization for Solves the Issue of Decision Making in Middle Size Soccer Robot League
Authors: Zahra Abdolkarimi, Naser Zouri
Abstract:
The actual purpose of RoboCup is creating independent team of robots in 2050 based of FiFa roles to bring the victory in compare of world star team. There is unbelievable growing of Robots created a collection of complex and motivate subject in robotic and intellectual ornate, also it made a mechatronics style base of theoretical and technical way in Robocop. Decision making of robots depends to environment reaction, self-player and rival player with using inductive Fuzzy system valuation subsidiary to solve issue of robots in land game. The measure of selection in compare with other methods depends to amount of victories percentage in the same team that plays accidentally.Keywords: particle swarm optimization, chaos theory, inference fuzzy system, simulation environment rational fuzzy system, mamdani and assilian, deffuzify
Procedia PDF Downloads 3861653 Optimal Design of Concrete Shells by Modified Particle Community Algorithm Using Spinless Curves
Authors: Reza Abbasi, Ahmad Hamidi Benam
Abstract:
Shell structures have many geometrical variables that modify some of these parameters to improve the mechanical behavior of the shell. On the other hand, the behavior of such structures depends on their geometry rather than on mass. Optimization techniques are useful in finding the geometrical shape of shell structures to improve mechanical behavior, especially to prevent or reduce bending anchors. The overall objective of this research is to optimize the shape of concrete shells using the thickness and height parameters along the reference curve and the overall shape of this curve. To implement the proposed scheme, the geometry of the structure was formulated using nonlinear curves. Shell optimization was performed under equivalent static loading conditions using the modified bird community algorithm. The results of this optimization show that without disrupting the initial design and with slight changes in the shell geometry, the structural behavior is significantly improved.Keywords: concrete shells, shape optimization, spinless curves, modified particle community algorithm
Procedia PDF Downloads 2311652 Recursive Doubly Complementary Filter Design Using Particle Swarm Optimization
Authors: Ju-Hong Lee, Ding-Chen Chung
Abstract:
This paper deals with the optimal design of recursive doubly complementary (DC) digital filter design using a metaheuristic based optimization technique. Based on the theory of DC digital filters using two recursive digital all-pass filters (DAFs), the design problem is appropriately formulated to result in an objective function which is a weighted sum of the phase response errors of the designed DAFs. To deal with the stability of the recursive DC filters during the design process, we can either impose some necessary constraints on the phases of the recursive DAFs. Through a frequency sampling and a weighted least squares approach, the optimization problem of the objective function can be solved by utilizing a population based stochastic optimization approach. The resulting DC digital filters can possess satisfactory frequency response. Simulation results are presented for illustration and comparison.Keywords: doubly complementary, digital all-pass filter, weighted least squares algorithm, particle swarm optimization
Procedia PDF Downloads 688