Search results for: kinetic equation

Authors: Ayola D. N. Jayamaha, Gihan V. Dias, Surangika Ranathunga

Abstract:

Currently there are lot of educational tools designed for mathematics. Open source software such as GeoGebra and Octave are bulky in their architectural structure. In addition, there is MathLab software, which facilitates much more than what we ask for. Many of the computer aided online grading and assessment tools require integrating editors to their software. However, there are not exist suitable editors that cater for all their needs in editing equations and geometrical diagrams and graphs. Some of the existing software for editing equations is Alfred’s Equation Editor, Codecogs, DragMath, Maple, MathDox, MathJax, MathMagic, MathFlow, Math-o-mir, Microsoft Equation Editor, MiraiMath, OpenOffice, WIRIS Editor and MyScript. Some of them are commercial, open source, supports handwriting recognition, mobile apps, renders MathML/LaTeX, Flash / Web based and javascript display engines. Some of the diagram editors are GeoKone.NET, Tabulae, Cinderella 1.4, MyScript, Dia, Draw2D touch, Gliffy, GeoGebra, Flowchart, Jgraph, JointJS, J painter Online diagram editor and 2D sketcher. All these software are open source except for MyScript and can be used for editing mathematical diagrams. However, they do not fully cater the needs of a typical computer aided assessment tool or Educational Platform for Mathematics. This solution provides a Web based, lightweight, easy to implement and integrate solution of an html5 canvas that renders on all of the modern web browsers. The scope of the project is an editor that covers equations and mathematical diagrams and drawings on the O/L Mathematical Exam Papers in Sri Lanka. Using the tool the students can enter any equation to the system which can be on an online remote learning platform. The users can also create and edit geometrical drawings, graphs and do geometrical constructions that require only Compass and Ruler from the Editing Interface provided by the Software. The special feature of this software is the geometrical constructions. It allows the users to create geometrical constructions such as angle bisectors, perpendicular lines, angles of 600 and perpendicular bisectors. The tool correctly imitates the functioning of rulers and compasses to create the required geometrical construction. Therefore, the users are able to do geometrical drawings on the computer successfully and we have a digital format of the geometrical drawing for further processing. Secondly, we can create and edit Venn Diagrams, color them and label them. In addition, the students can draw probability tree diagrams and compound probability outcome grids. They can label and mark regions within the grids. Thirdly, students can draw graphs (1st order and 2nd order). They can mark points on a graph paper and the system connects the dots to draw the graph. Further students are able to draw standard shapes such as circles and rectangles by selecting points on a grid or entering the parametric values.

Keywords: geometrical drawings, html5 canvas, mathematical equations, toolbox

Procedia PDF Downloads 377

Authors: Kaixuan Feng, Ruixiang Lin, Yuyan Hu, Yuheng Feng, Dezhen Chen, Tongcheng Cao

Abstract:

In this study, we propose a reaction system for the low-temperature reduction of NO by H₂ on carbon-based materials decorated with 5%wt. Ni. This cost-effective catalyst system efficiently utilizes pyrolysis carbon-based materials and waste hydrogen. Additionally, it yields environmentally friendly products without requiring extra heat sources in practical SCR devices. Density functional theory elucidates the mechanism of NO heterogeneous reduction by H₂ on Ni-decorated char surfaces. Two distinct reaction paths were identified, one involving the intermediate product N₂O and the other not. These pathways exhibit different rate-determination steps and activation energies. Kinetic analysis indicates that the N₂O byproduct pathway has a lower activation energy. Experimental results corroborate the theoretical findings. Thus, this research enhances our mechanistic understanding of the NO-H₂ reaction over char and offers insights for optimizing catalyst design in low-temperature NO reduction.

Keywords: char-based catalysis, NO reduction, DFT study, heterogeneous reaction, low-temperature H₂-reduction

Procedia PDF Downloads 79

Authors: Raphaël Menard, Etienne Fayette, Paul Azzopardi

Abstract:

This paper presents the method to generate the geometry of an actual glass canopy project in Rennes, France, by architect Bruno Gaudin, with aim to achieve the best structural efficiency possible using only quadrangle meshing. The paper includes equation of the translational surface generated, the level of accuracy in approximating the funicular shape and the method of constructive implementation.

Keywords: funicular shape, glass canopy, glass panels, lowered arches, mathematics, penalization, shell structure

Procedia PDF Downloads 553

Authors: Mouhamadou Dosso

Abstract:

This paper presents methods of spectral dichotomy of a matrix which compute spectral projectors on the subspace associated with the eigenvalues external to the parabolas described by a general equation. These methods are modifications of the one proposed in [A. N. Malyshev and M. Sadkane, SIAM J. MATRIX ANAL. APPL. 18 (2), 265-278, 1997] which uses the spectral dichotomy method of a matrix with respect to the imaginary axis. Theoretical and algorithmic aspects of the methods are developed. Numerical results obtained by applying methods presented on matrices are reported.

Keywords: spectral dichotomy method, spectral projector, eigensubspaces, eigenvalue

Procedia PDF Downloads 94

Authors: Bita Bayatsarmadi, Shi-Zhang Qiao

Abstract:

Oxygen reduction reaction (ORR) performance of iron and nitrogen co-doped porous carbon nanoparticles (Fe-NPC) with various physical and (electro) chemical properties have been investigated. Fe-NPC nanoparticles are synthesized via a facile soft-templating procedure by using Iron (III) chloride hexa-hydrate as iron precursor and aminophenol-formaldehyde resin as both carbon and nitrogen precursor. Fe-NPC nanoparticles shows high surface area (443.83 m2g-1), high pore volume (0.52 m3g-1), narrow mesopore size distribution (ca. 3.8 nm), high conductivity (IG/ID=1.04), high kinetic limiting current (11.71 mAcm-2) and more positive onset potential (-0.106 V) compared to metal-free NPC nanoparticles (-0.295V) which make it high efficient ORR metal-free catalysts in alkaline solution. This study may pave the way of feasibly designing iron and nitrogen containing carbon materials (Fe-N-C) for highly efficient oxygen reduction electro-catalysis.

Keywords: electro-catalyst, mesopore structure, oxygen reduction reaction, soft-template

Procedia PDF Downloads 379

Authors: Waleed Alsaidy, Mourad Mbarki

Abstract:

In this work, it have investigated the effect of electron irradiation on the output characteristics of n+/p GaAs solar cell. The studied solar cell is exposed to an electron beam with kinetic energy of 1 MeV under AM0 illumination. In this work, it have used our own software to calculate the damage caused by these energetic particles. Indeed, these particles produce severe degradation on the performances of the solar cells. The aim of this work is to investigate the effect of electronic irradiation on the J(V) characteristics upon the fluence of particles φ (electron/cm2). Thereafter, we have evaluated the degradation of its performances such as the short circuit current J_sc, the open circuit voltage V_oc the efficiency η with respect to the fluence φ of electrons. it have shown that the variation of these parameters decrease linearly with the logarithm of the fluence φ, and their degradation begins from a threshold value φ_m. To validate our calculation, we have compared our results with other theoretical and experimental results available in the literature and we have found a good agreement between them.

Keywords: solar cells, GaAs, short circuit current, open circuit voltage, fluence, degradation

Procedia PDF Downloads 21

Authors: Rishi Sharma, S. N. Maiti

Abstract:

The non-isothermal crystallization kinetics of PP/SEBS-g-MA blends up to 0-50% concentration of copolymer was studied by differential scanning calorimetry at four different cooling rates. Crystallization parameters were analyzed by Avrami and Jeziorny models. Primary and secondary crystallization processes were described by Avrami equation. Avrami model showed that all types of shapes grow from small dimensions during primary crystallization. However, three-dimensional crystal growth was observed during the secondary crystallization process. The crystallization peak and onset temperature decrease, however

Keywords: crystallization kinetics, non-isothermal, polypropylene, SEBS-g-MA

Procedia PDF Downloads 622

Authors: Raied, Badr Al-Fulaiti, E. I. El-Shafey

Abstract:

Cyclodextrin (CD) derivatives (αCD, βCD, ϒCD and hp-βCD) were successfully immobilized on silica gel surface via epichlorohydrin as a cross linker. The ratio of silica to CD was optimized in preliminary experiments based on best performance of iodine adsorption capacity. Selected adsorbents with ratios of silica to CD derivatives, in this study, include Si-αCD (3:2), Si-βCD (4:1), Si-ϒCD (4:1) and Si-hp-βCD (4:1). The adsorption of iodine (I2/KI) solution was investigated in terms of initial pH, contact time, iodine concentration and temperature. No significant variations was noticed for iodine adsorption at different pH values, thus, initial pH 6 was selected for further studies. Equilibrium adsorption was reached faster on Si-hp-βCD than other adsorbents with kinetic adsorption data fitting well pseudo second order model. Activation energy (Ea) was found to be in the range of 12.7 - 23.4 kJ/mol. Equilibrium adsorption data were found to fit well the Langmuir adsorption model with lower uptake as temperature rises. Iodine uptake follows the order: Si-hp-βCD (714 mg/g) >Si-αCD (625 mg/g) >Si-βCD (555.6 mg/g)> Si-ϒCD (435 mg/g). Thermodynamic study showed that iodine adsorption is exothermic and spontaneous. Adsorbents reuse exhibited excellent performance for iodine adsorption with a decrease in iodine uptake of ~ 2- 4 % in the third adsorption cycle.

Keywords: adsorption, iodine, silica, cyclodextrin, functionalization, epichlorohydrin

Procedia PDF Downloads 132

Authors: Fang Liu, JunShuai Xue, JiaJia Yao, XueYan Yang, ZuMao Li, GuanLin Wu, HePeng Zhang, ZhiPeng Sun

Abstract:

III-Nitride resonant tunneling diode (RTD) is one of the most promising candidates for multiple-valued logic (MVL) elements. Here, we report a monolithic integration of GaN resonant tunneling diodes to realize multiple negative differential resistance (NDR) regions for MVL application. GaN RTDs, composed of a 2 nm quantum well embedded in two 1 nm quantum barriers, are grown by plasma-assisted molecular beam epitaxy on free-standing c-plane GaN substrates. Negative differential resistance characteristic with a peak current density of 178 kA/cm² in conjunction with a peak-to-valley current ratio (PVCR) of 2.07 is observed. Statistical properties exhibit high consistency showing a peak current density standard deviation of almost 1%, laying the foundation for the monolithic integration. After complete electrical isolation, two diodes of the designed same area are connected in series. By solving the Poisson equation and Schrodinger equation in one dimension, the energy band structure is calculated to explain the transport mechanism of the differential negative resistance phenomenon. Resonant tunneling events in a sequence of the series-connected RTD pair (SCRTD) form multiple NDR regions with nearly equal peak current, obtaining three stable operating states corresponding to ternary logic. A frequency multiplier circuit achieved using this integration is demonstrated, attesting to the robustness of this multiple peaks feature. This article presents a monolithic integration of SCRTD with multiple NDR regions driven by the resonant tunneling mechanism, which can be applied to a multiple-valued logic field, promising a fast operation speed and a great reduction of circuit complexity and demonstrating a new solution for nitride devices to break through the limitations of binary logic.

Keywords: GaN resonant tunneling diode, multiple-valued logic system, frequency multiplier, negative differential resistance, peak-to-valley current ratio

Procedia PDF Downloads 81

Authors: Yuwaratu Syafira, Wahyu K. Y. Putra, Kusharisupeni Djokosujono

Abstract:

Background/Objective: Body Mass Index (BMI) serves various purposes, including measuring the prevalence of obesity in a population, and also in formulating a patient’s diet at a hospital, and can be calculated with the equation = body weight (kg)/body height (m)². However, the BMI of an individual with difficulties in carrying their weight or standing up straight can not necessarily be measured. The aim of this study was to form a prediction model for the BMI of young adult students of Public Health Faculty of University of Indonesia. Subject/Method: This study used a cross sectional design, with a total sample of 132 respondents, consisted of 58 males and 74 females aged 21- 30. The dependent variable of this study was BMI, and the independent variables consisted of sex and anthropometric measurements, which included ulna length, arm length, tibia length, knee height, mid-upper arm circumference, and calf circumference. Anthropometric information was measured and recorded in a single sitting. Simple and multiple linear regression analysis were used to create the prediction equation for BMI. Results: The male respondents had an average BMI of 24.63 kg/m² and the female respondents had an average of 22.52 kg/m². A total of 17 variables were analysed for its correlation with BMI. Bivariate analysis showed the variable with the strongest correlation with BMI was Mid-Upper Arm Circumference/√Ulna Length (MUAC/√UL) (r = 0.926 for males and r = 0.886 for females). Furthermore, MUAC alone also has a very strong correlation with BMI (r = 0,913 for males and r = 0,877 for females). Prediction models formed from either MUAC/√UL or MUAC alone both produce highly accurate predictions of BMI. However, measuring MUAC/√UL is considered inconvenient, which may cause difficulties when applied on the field. Conclusion: The prediction model considered most ideal to estimate BMI is: Male BMI (kg/m²) = 1.109(MUAC (cm)) – 9.202 and Female BMI (kg/m²) = 0.236 + 0.825(MUAC (cm)), based on its high accuracy levels and the convenience of measuring MUAC on the field.

Keywords: body mass index, mid-upper arm circumference, prediction model, ulna length

Procedia PDF Downloads 214

Authors: Alexander Norbach

Abstract:

The script in this paper describes the use of advanced simulation environment using electronic systems (Microcontroller, Operational Amplifiers, and FPGA). The simulation may be used for all dynamic systems with the diffusion and the ionisation behaviour also. By additionally required observer structure, the system works with parallel real-time simulation based on diffusion model and the state-space representation for other dynamics. The proposed deposited model may be used for electrodynamic effects, including ionising effects and eddy current distribution also. With the script and proposed method, it is possible to calculate the spatial distribution of the electromagnetic fields in real-time. For further purpose, the spatial temperature distribution may be used also. With upon system, the uncertainties, unknown initial states and disturbances may be determined. This provides the estimation of the more precise system states for the required system, and additionally, the estimation of the ionising disturbances that occur due to radiation effects. The results have shown that a system can be also developed and adopted specifically for space systems with the real-time calculation of the radiation effects only. Electronic systems can take damage caused by impacts with charged particle flux in space or radiation environment. In order to be able to react to these processes, it must be calculated within a shorter time that ionising radiation and dose is present. All available sensors shall be used to observe the spatial distributions. By measured value of size and known location of the sensors, the entire distribution can be calculated retroactively or more accurately. With the formation, the type of ionisation and the direct effect to the systems and thus possible prevent processes can be activated up to the shutdown. The results show possibilities to perform more qualitative and faster simulations independent of kind of systems space-systems and radiation environment also. The paper gives additionally an overview of the diffusion effects and their mechanisms. For the modelling and derivation of equations, the extended current equation is used. The size K represents the proposed charge density drifting vector. The extended diffusion equation was derived and shows the quantising character and has similar law like the Klein-Gordon equation. These kinds of PDE's (Partial Differential Equations) are analytically solvable by giving initial distribution conditions (Cauchy problem) and boundary conditions (Dirichlet boundary condition). For a simpler structure, a transfer function for B- and E- fields was analytically calculated. With known discretised responses g₁(k·Ts) and g₂(k·Ts), the electric current or voltage may be calculated using a convolution; g₁ is the direct function and g₂ is a recursive function. The analytical results are good enough for calculation of fields with diffusion effects. Within the scope of this work, a proposed model of the consideration of the electromagnetic diffusion effects of arbitrary current 'waveforms' has been developed. The advantage of the proposed calculation of diffusion is the real-time capability, which is not really possible with the FEM programs available today. It makes sense in the further course of research to use these methods and to investigate them thoroughly.

Keywords: advanced observer, electrodynamics, systems, diffusion, partial differential equations, solver

Procedia PDF Downloads 131

Authors: Dong Sang Yoo

Abstract:

We consider nonlinear uncertain systems such that a priori information of the uncertainties is not available. For such systems, we assume that the upper bound of the uncertainties is represented as a Fredholm integral equation of the first kind and we propose an adaptation law that is capable of estimating the upper bound and design a continuous robust control which renders nonlinear uncertain systems ultimately bounded.

Keywords: adaptive control, estimation, Fredholm integral, uncertain system

Procedia PDF Downloads 483

Authors: Fuad H. Veliev

Abstract:

Negative pressure phenomenon appears in many thermodynamic, geophysical and biophysical processes in the Nature and technological systems. For more than 100 years of the laboratory researches beginning from F. M. Donny’s tests, the great values of negative pressure have been achieved. But this phenomenon has not been practically applied, being only a nice lab toy due to the special demands for the purity and homogeneity of the liquids for its appearance. The possibility of creation of direct wave of negative pressure in real heterogeneous liquid systems was confirmed experimentally under the certain kinetic and hydraulic conditions. The negative pressure can be considered as the factor of both useful and destroying energies. The new approach to generation of the negative pressure waves in impure, unclean fluids has allowed the creation of principally new energy saving technologies and installations to increase the effectiveness and efficiency of different production processes. It was proved that the negative pressure is one of the main factors causing hard troubles in some technological and natural processes. Received results emphasize the necessity to take into account the role of the negative pressure as an energy factor in evaluation of many transient thermohydrodynamic processes in the Nature and production systems.

Keywords: liquid systems, negative pressure, temperature, wave, metastable state

Procedia PDF Downloads 416

Authors: Maziar Ramezani, Thomas Neitzert, Timotius Pasang

Abstract:

This paper aims at experimental and numerical investigation of springback behavior of sheet metals during L-bending process with emphasis on Stribeck-type friction modeling. The coefficient of friction in Stribeck curve depends on sliding velocity and contact pressure. The springback behavior of mild steel and aluminum alloy 6022-T4 sheets was studied experimentally and using numerical simulations with ABAQUS software with two types of friction model: Coulomb friction and Stribeck friction. The influence of forming speed on springback behavior was studied experimentally and numerically. The results showed that Stribeck-type friction model has better results in predicting springback in sheet metal forming. The FE prediction error for mild steel and 6022-T4 AA is 23.8%, 25.5% respectively, using Coulomb friction model and 11%, 13% respectively, using Stribeck friction model. These results show that Stribeck model is suitable for simulation of sheet metal forming especially at higher forming speed.

Keywords: friction, L-bending, springback, Stribeck curves

Procedia PDF Downloads 491

Authors: Abdenour Bourabaa, Malika Fekih, Mohamed Saighi

Abstract:

A numerical investigation of the fin efficiency and temperature distribution of an annular fin under dehumidification has been presented in this paper. The non-homogeneous second order differential equation that describes the temperature distribution from the fin base to the fin tip has been solved using the central finite difference method. The effects of variations in parameters including relative humidity, air temperature, air face velocity on temperature distribution and fin efficiency are investigated and compared with those under fully dry fin conditions. Also, the effect of fin pitch on the dimensionless temperature has been studied.

Keywords: annular fin, dehumidification, fin efficiency, heat and mass transfer, wet fin

Procedia PDF Downloads 480

Authors: Farida Kaouah, Wassila Hachi, Lamia Brahmi, Chahida Ousselah, Salim Boumaza, Mohamed Trari

Abstract:

The feasibility of using solar irradiation instead of UV light in photocatalysis is a promising approach for water treatment. In this study, photocatalytic degradation of a widely used textile dye, Acid Blue 25 (AB25), with noble metal loaded ZnO photocatalyst (Ag/ZnO), was investigated in aqueous suspension under solar light. The results showed that the deposition of Ag as a noble metal onto the ZnO surface, improved the photodegradation of AB25. . The effect of different parameters such as catalyst dose, initial dye concentration, and contact time was optimized and the optimal degradation of AB25 (97%) was achieved for initial AB25 concentration of 24 mg L−1 an catalyst dose of 1 g L−1 at natural pH (5.42) after 180 min. The kinetic studies were achieved and revealed that the photocatalytic degradation process obeyed to Langmuir–Hinshelwood model and followed a pseudo-first order rate expression. This work envisages the great potential that sunlight photocatalysis has in the degradation of dyes from wastewater

Keywords: acid dye, photocatalytic degradation, sunlight, zinc oxide, noble metal, Langmuir–Hinshelwood model

Procedia PDF Downloads 111

Authors: Magdy G. Asaad

Abstract:

Solitons are among the most beneficial solutions for science and technology for their applicability in physical applications including plasma, energy transport along protein molecules, wave transport along poly-acetylene molecules, ocean waves, constructing optical communication systems, transmission of information through optical fibers and Josephson junctions. In this talk, we will apply the bilinear technique to generate a class of soliton solutions to the (3+1)-dimensional nonlinear soliton equation of Jimbo-Miwa type. Examples of the resulting soliton solutions are computed and a few solutions are plotted.

Keywords: Pfaffian solutions, N-soliton solutions, soliton equations, Jimbo-Miwa

Procedia PDF Downloads 453

Authors: Ahmed I. Shehab, Sabah M. Abdel Basir, M. A. Abdel Khalek, M. H. Soliman, G. Elgemeie

Abstract:

Spent bleaching earth (SBE) recycling and utilization as an adsorbent to eliminate dyes from aqueous solution was studied. Organic solvents and subsequent thermal treatment were carried out to recover and reactivate the SBE. The effect of pH, temperature, dye’s initial concentration, and contact time on the dye removal using recycled spent bleaching earth (RSBE) was investigated. Recycled SBE showed better removal affinity of cationic than anionic dyes. The maximum removal was achieved at pH 2 and 8 for anionic and cationic dyes, respectively. Kinetic data matched with the pseudo second-order model. The adsorption phenomenon governing this process was identified by the Langmuir and Freundlich isotherms for anionic dye while Freundlich model represented the sorption process for cationic dye. The changes of Gibbs free energy (ΔG°), enthalpy (ΔH°), and entropy (ΔS°) were computed and compared through thermodynamic study for both dyes.

Keywords: Spent bleaching earth, reactivation, regeneration, thermal treatment, dye removal, thermodynamic

Procedia PDF Downloads 183

Authors: A. Hamidi, S. Khelladi, L. Illoul, A. Tcharkhtchi

Abstract:

Reactive rotational molding (RRM) is a process to manufacture hollow plastic parts with reactive material has several advantages compared to conventional roto molding of thermoplastic powders: process cycle time is shorter; raw material is less expensive because polymerization occurs during processing and high-performance polymers may be used such as thermosets, thermoplastics or blends. However, several phenomena occur during this process which makes the optimization of the process quite complex. In this study, we have used a mixture of isocyanate and polyol as a reactive system. The chemical transformation of this system to polyurethane has been studied by thermal analysis and rheology tests. Thanks to these results of the curing process and rheological measurements, the kinetic and rheokinetik of polyurethane was identified. Smoothed Particle Hydrodynamics, a Lagrangian meshless method, was chosen to simulate reactive fluid flow in 2 and 3D configurations of the polyurethane during the process taking into account the chemical, and chemiorehological results obtained experimentally in this study.

Keywords: reactive rotational molding, simulation, smoothed particle hydrodynamics, surface tension, rheology, free surface flows, viscoelastic, interpolation

Procedia PDF Downloads 288

Authors: Said Echchakoui

Abstract:

This paper aims to investigate how experiential value added by the salesperson mediates the relationship between perceived salesperson source characteristics and his performance. Structural equation modelling was employed to assess the proposed research model empirically. The empirical results revealed that the three dimensions of experiential value economic benefit, service productivity and enjoyable interaction, mediated the relationship between perceived salesperson source characteristics and his performance. Managerial implications are addressed.

Keywords: sales force, experiential added value, customer perceived value, performance

Procedia PDF Downloads 433

Authors: Damir Počakal

Abstract:

Continental part Croatia is exposed, mainly in the summer months, to the frequent occurrence of severe thunderstorms and hail. In the 1960s, aiming to protect and reduce the damage, an operational hail suppression system was introduced in that area. The current protected area is 26800 km2 and has about 580 hail suppression stations (rockets and ground generators) which are managed with 8 radar centres (S-band radars). In order to obtain objective and precise hailstone measurement for different research studies, hailpads were installed on all this stations in 2001. Additionally the dense hailpad network with the dimensions of 20 km x 30 km (1 hailpad per 4 km2), was established in the area with the highest average number of days with hail in Croatia in 2002. This paper presents analysis of relation between radar measured parameters of Cb cells in the time of hail fall with physical parameters of hail (max. diameter, number of hail stones and kinetic energy) measured on hailpads in period 2002 -2014. In addition are compared radar parameters of Cb cells with and without hail on the ground located at the same time over the polygon area.

Keywords: Cb cell, hail, radar, hailpad

Procedia PDF Downloads 296

Authors: Mohamad Saab, Florent Real, Francois Virot, Laurent Cantrel, Valerie Vallet

Abstract:

All spent nuclear fuel reprocessing plants use the PUREX process (Plutonium Uranium Refining by Extraction), which is a liquid-liquid extraction method. The organic extracting solvent is a mixture of tri-n-butyl phosphate (TBP) and hydrocarbon solvent such as hydrogenated tetra-propylene (TPH). By chemical complexation, uranium and plutonium (from spent fuel dissolved in nitric acid solution), are separated from fission products and minor actinides. During a normal extraction operation, uranium is extracted in the organic phase as the UO₂(NO₃)₂(TBP)₂ complex. The TBP solvent can form an explosive mixture called red oil when it comes in contact with nitric acid. The formation of this unstable organic phase originates from the reaction between TBP and its degradation products on the one hand, and nitric acid, its derivatives and heavy metal nitrate complexes on the other hand. The decomposition of the red oil can lead to violent explosive thermal runaway. These hazards are at the origin of several accidents such as the two in the United States in 1953 and 1975 (Savannah River) and, more recently, the one in Russia in 1993 (Tomsk). This raises the question of the exothermicity of reactions that involve TBP and all other degradation products, and calls for a better knowledge of the underlying chemical phenomena. A simulation tool (Alambic) is currently being developed at IRSN that integrates thermal and kinetic functions related to the deterioration of uranyl nitrates in organic and aqueous phases, but not of the n-butyl phosphate. To include them in the modeling scheme, there is an urgent need to obtain the thermodynamic and kinetic functions governing the deterioration processes in liquid phase. However, little is known about the thermodynamic properties, like standard enthalpies of formation, of the n-butyl phosphate molecules and of the UO₂(NO₃)₂(TBP)₂ UO₂(NO₃)₂(HDBP)(TBP) and UO₂(NO₃)₂(HDBP)₂ complexes. In this work, we propose to estimate the thermodynamic properties with Quantum Methods (QM). Thus, in the first part of our project, we focused on the mono, di, and tri-butyl complexes. Quantum chemical calculations have been performed to study several reactions leading to the formation of mono-(H₂MBP), di-(HDBP), and TBP in gas and liquid phases. In the gas phase, the optimal structures of all species were optimized using the B3LYP density functional. Triple-ζ def2-TZVP basis sets were used for all atoms. All geometries were optimized in the gas-phase, and the corresponding harmonic frequencies were used without scaling to compute the vibrational partition functions at 298.15 K and 0.1 Mpa. Accurate single point energies were calculated using the efficient localized LCCSD(T) method to the complete basis set limit. Whenever species in the liquid phase are considered, solvent effects are included with the COSMO-RS continuum model. The standard enthalpies of formation of TBP, HDBP, and H2MBP are finally predicted with an uncertainty of about 15 kJ mol⁻¹. In the second part of this project, we have investigated the fundamental properties of three organic species that mostly contribute to the thermal runaway: UO₂(NO₃)₂(TBP)₂, UO₂(NO₃)₂(HDBP)(TBP), and UO₂(NO₃)₂(HDBP)₂ using the same quantum chemical methods that were used for TBP and its derivatives in both the gas and the liquid phase. We will discuss the structures and thermodynamic properties of all these species.

Keywords: PUREX process, red oils, quantum chemical methods, hydrolysis

Procedia PDF Downloads 188

Authors: Jatinder Kumar, Ajay Bansal

Abstract:

Simulation of a photocatalytic reactor helps in understanding the complex behavior of the photocatalytic degradation. Simulation also aids the designing and optimization of the photocatalytic reactor. Lack of simulation strategies is a huge hindrance in the commercialization of the photocatalytic technology. With the increased performance of computational resources, and development of simulation software, computational fluid dynamics (CFD) is becoming an affordable engineering tool to simulate and optimize reactor designs. In the present paper, a CFD (Computational fluid dynamics) model for simulating the performance of an immobilized-titanium dioxide based annular photocatalytic reactor was developed. The computational model integrates hydrodynamics, species mass transport, and chemical reaction kinetics using a commercial CFD code Fluent 6.3.26. The CFD model was based on the intrinsic kinetic parameters determined experimentally in a perfectly mixed batch reactor. Rhodamine B, a complex organic compound, was selected as a test pollutant for photocatalytic degradation. It was observed that CFD could become a valuable tool to understand and improve the photocatalytic systems.

Keywords: simulation, computational fluid dynamics (CFD), annular photocatalytic reactor, titanium dioxide

Procedia PDF Downloads 585

Authors: Renata Roma, Christine Tardif-Williams

Abstract:

Engaging in daily walks with a dog (f.e. Canis lupus familiaris) during the COVID-19 pandemic may be linked to feelings of greater social-connectedness and global self-worth, and lower stress after controlling for mental health issues, lack of physical contact with others, and other stressors associated with the current pandemic. Therefore, maintaining a routine of dog walking might mitigate the effects of stressors experienced during the pandemic and promote well-being. However, many dog owners do not walk their dogs for many reasons, which are related to the owner’s and the dog’s personalities. Note that the consistency of certain personality characteristics among dogs demonstrates that it is possible to accurately measure different dimensions of personality in both dogs and their human counterparts. In addition, behavioural ratings (e.g., the dog personality questionnaire - DPQ) are reliable tools to assess the dog’s personality. Clarifying the relevance of personality factors in the context of young adult-dog relationships can shed light on interactional aspects that can potentially foster protective behaviours and promote well-being among young adults during the pandemic. This study examines if and how nine combinations of dog- and young adult-related personality characteristics (e.g., neuroticism-fearfulness) can amplify the influence of personality factors in the context of dog walking during the COVID-19 pandemic. Responses to an online large-scale survey among 440 (389 females; 47 males; 4 nonbinaries, Mage=20.7, SD= 2.13 range=17-25) young adults living with a dog in Canada were analyzed using structural equation modeling (SEM). As extraversion, conscientiousness, and neuroticism, measured through the five-factor model (FFM) inventory, are related to maintaining a routine of physical activities, these dimensions were selected for this analysis. Following an approach successfully adopted in the field of dog-human interactions, the FFM was used as the organizing framework to measure and compare the human’s and the dog’s personality in the context of dog walking. The dog-related personality dimensions activity/excitability, responsiveness to training, and fearful were correlated dimensions captured through DPQ and were added to the analysis. Two questions were used to assess dog walking. The actor-partner interdependence model (APIM) was used to check if the young adult’s responses about the dog were biased; no significant bias was observed. Activity/excitability and responsiveness to training in dogs were greatly associated with dog walking. For young adults, high scores in conscientiousness and extraversion predicted more walks with the dog. Conversely, higher scores in neuroticism predicted less engagement in dog walking. For participants high in conscientiousness, the dog’s responsiveness to training (standardized=0.14, p=0.02) and the dog’s activity/excitability (standardized=0.15, p=0.00) levels moderated dog walking behaviours by promoting more daily walks. These results suggest that some combinations in young adult and dog personality characteristics are associated with greater synergy in the young adult-dog dyad that might amplify the impact of personality factors on young adults’ dog-walking routines. These results can inform programs designed to promote the mental and physical health of young adults during the Covid-19 pandemic by highlighting the impact of synergy and reciprocity in personality characteristics between young adults and dogs.

Keywords: Covid-19 pandemic, dog walking, personality, structural equation modeling, well-being

Procedia PDF Downloads 115

Authors: A. Kalaei, A. H. W. Ngan

Abstract:

In this study, a mesoscopic continuum dislocation dynamics (CDD) approach is applied to simulate the intergranular slip transfer. The CDD scheme applies an efficient kinematics equation to model the evolution of the “all-dislocation density,” which is the line-length of dislocations of each character per unit volume. As the consideration of every dislocation line can be a limiter for the simulation of slip transfer in large scales with a large quantity of participating dislocations, a coarse-grained, extensive description of dislocations in terms of their density is utilized to resolve the effect of collective motion of dislocation lines. For dynamics closure, namely, to obtain the dislocation velocity from a velocity law involving the effective glide stress, mutual elastic interaction of dislocations is calculated using Mura’s equation after singularity removal at the core of dislocation lines. The developed scheme for slip transfer can therefore resolve the effects of the elastic interaction and pile-up of dislocations, which are important physics omitted in coarser models like crystal plasticity finite element methods (CPFEMs). Also, the length and timescales of the simulationareconsiderably larger than those in molecular dynamics (MD) and discrete dislocation dynamics (DDD) models. The present work successfully simulates that, as dislocation density piles up in front of a grain boundary, the elastic stress on the other side increases, leading to dislocation nucleation and stress relaxation when the local glide stress exceeds the operation stress of dislocation sources seeded on the other side of the grain boundary. More importantly, the simulation verifiesa phenomenological misorientation factor often used by experimentalists, namely, the ease of slip transfer increases with the product of the cosines of misorientation angles of slip-plane normals and slip directions on either side of the grain boundary. Furthermore, to investigate the effects of the critical stress-intensity factor of the grain boundary, dislocation density sources are seeded at different distances from the grain boundary, and the critical applied stress to make slip transfer happen is studied.

Keywords: grain boundary, dislocation dynamics, slip transfer, elastic stress

Procedia PDF Downloads 123

Authors: Saeb Ahmadi, Mohsen Vafaie Sefti, Mohammad Mahdi Shadman, Ebrahim Tangestani

Abstract:

Carbon nanotube has shown great potential for the removal of various inorganic and organic components due to properties such as large surface area and high adsorption capacity. Central composite design is widely used method for determining optimal conditions. Also due to the economic reasons and wide application, the rare earth elements are important components. The analyses of cerium (Ce(III)) adsorption as one of the Rare Earth Elements (REEs) adsorption on Multiwall Carbon Nanotubes (MWCNTs) have been studied. The optimization process was performed using Response Surface Methodology (RSM). The optimum amount conditions were pH of 4.5, initial Ce (III) concentration of 90 mg/l and MWCNTs dosage of 80 mg. Under this condition, the optimum adsorption percentage of Ce (III) was obtained about 96%. Next, at the obtained optimum conditions the kinetic and isotherm studied and result showed the pseudo-second order and Langmuir isotherm are more fitted with experimental data than other models.

Keywords: cerium, rare earth element, MWCNTs, adsorption, optimization

Procedia PDF Downloads 167

Authors: Vandana N. Purav

Abstract:

Fibonacci and Lucas polynomials are special cases of Chebyshev polynomial. There are two types of Chebyshev polynomials, a Chebyshev polynomial of first kind and a Chebyshev polynomial of second kind. Chebyshev polynomial of second kind can be derived from the Chebyshev polynomial of first kind. Chebyshev polynomial is a polynomial of degree n and satisfies a second order homogenous differential equation. We consider the difference equations which are related with Chebyshev, Fibonacci and Lucas polynomias. Thus Chebyshev polynomial of second kind play an important role in finding the recurrence relations with Fibonacci and Lucas polynomials.

Keywords:

Procedia PDF Downloads 368

Authors: Yulin Zhang, Kaixi Dong, Guozhen Zhao

Abstract:

Background: Different levels of life satisfaction are associated with some individual differences. Understanding the mechanism between them will help to enhance an individual’s well-being. On the one hand, traditional personality such as extraversion has been considered as the most stable and effective factor in predicting life satisfaction to the author’s best knowledge. On the other, individual emotional difference, such as alexithymia (difficulties identifying and describing one’s own feelings), is also closely related to life satisfaction. With the development of positive psychology, positive personalities such as virtues attract wide attention. And according to the broaden-and-build theory, social connectivity may mediate between emotion and life satisfaction. Therefore, the current study aims to explore the mediating role of social connectivity in the effect of positive personality and alexithymia on life satisfaction. Method: This study was conducted with 318 healthy Chinese college students whose age range from 18 to 30. Positive personality (including interpersonal, vitality, and cautiousness) was measured by the Chinese version of Values in Action Inventory of Strengths (VIA-IS). Alexithymia was measured by the Toronto Alexithymia Scale (TAS), and life satisfaction was measured by Satisfaction With Life Scale (SWLS). And social connectivity was measured by six items which have been used in previous studies. Each scale showed high reliability and validity. The mediating model was examined in Mplus 7.2 within a structural equation modeling (SEM) framework. Findings: The model fitted well and results revealed that both positive personality (95% confidence interval of indirect effect was [0.023, 0.097]) and alexithymia (95% confidence interval of indirect effect was [-0.270, -0.089]) predicted life satisfaction level significantly through social connectivity. Also, only positive personality significantly and directly predicted life satisfaction compared to alexithymia (95% confidence interval of direct effect was [0.109, 0.260]). Conclusion: Alexithymia predicts life satisfaction only through social connectivity, which emphasizes the importance of social bonding in enhancing the well-being of Chinese college students with alexithymia. And the positive personality can predict life satisfaction directly or through social connectivity, which provides implications for enhancing the well-being of Chinese college students by cultivating their virtue and positive psychological quality.

Keywords: alexithymia, life satisfaction, positive personality, social connectivity

Procedia PDF Downloads 167

Authors: Somesh Misha, Smita Raghuvanshi, Suresh Gupta

Abstract:

Increasing concentration of green house gases (GHG's), such as CO2 is of major concern and start showing its impact nowadays. The recent studies are focused on developing the continuous system using photoautotrophs for CO2 mitigation and simultaneous production of primary and secondary metabolites as a value addition. The advent of carbon concentrating mechanism had blurred the distinction between autotrophs and heterotrophs and now the paradigm has shifted towards the carbon capture and utilization (CCU) rather than carbon capture and sequestration (CCS). In the present work, a bioreactor was developed utilizing the chemolithotrophic bacterial species using CO2 mitigation and simultaneous value addition. The kinetic modeling was done and the biokinetic parameters are obtained for developing the bioreactor. The bioreactor was developed and studied for its operation and performance in terms of volumetric loading rate, mass loading rate, elimination capacity and removal efficiency. The characterization of effluent from the bioreactor was carried out for the products obtained using the analyzing techniques such as FTIR, GC-MS, and NMR. The developed bioreactor promised an economic, efficient and effective solution for CO2 mitigation and simultaneous value addition.

Keywords: CO2 mitigation, bio-reactor, chemolithotrophic bacterial species, FTIR, GC-MS, NMR

Procedia PDF Downloads 468

Authors: Helnaz Soltani, J. N. Reddy

Abstract:

Presence of fluid medium interacting with a structure can lead to failure of the structure. Since developing efficient computational model for fluid-structure interaction (FSI) problems has broader impact to realistic problems encountered in aerospace industry, ship industry, oil and gas industry, and so on, one can find an increasing need to find a method in order to investigate the effect of fluid domain on structural response. A coupled finite element formulation of problems involving FSI issue is an accurate method to predict the response of structures in contact with a fluid medium. This study proposes a finite element approach in order to study the transient response of the structures interacting with a fluid medium. Since beam and plate are considered to be the fundamental elements of almost any structure, the developed method is applied to beams and plates benchmark problems in order to demonstrate its efficiency. The formulation is a combination of the various structure theories and the solid-fluid interface boundary condition, which is used to represent the interaction between the solid and fluid regimes. Here, three different beam theories as well as three different plate theories are considered to model the solid medium, and the Navier-Stokes equation is used as the theoretical equation governed the fluid domain. For each theory, a coupled set of equations is derived where the element matrices of both regimes are calculated by Gaussian quadrature integration. The main feature of the proposed methodology is to model the fluid domain as an added mass; the external distributed force due to the presence of the fluid. We validate the accuracy of such formulation by means of some numerical examples. Since the formulation presented in this study covers several theories in literature, the applicability of our proposed approach is independent of any structure geometry. The effect of varying parameters such as structure thickness ratio, fluid density and immersion depth, are studied using numerical simulations. The results indicate that maximum vertical deflection of the structure is affected considerably in the presence of a fluid medium.

Keywords: beam and plate, finite element analysis, fluid-structure interaction, transient response

Procedia PDF Downloads 568