Search results for: inverse pseudo moore-penrose

Authors: Honggang Qu, Yong Xu, Rongmei Liu, Zhenji Gao, Bin Wang

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Today's mining industry is advancing gradually toward digital and visual direction. The three-dimensional visualization geological modeling of mine is the digital characterization of mineral deposits and is one of the key technology of digital mining. Three-dimensional geological modeling is a technology that combines geological spatial information management, geological interpretation, geological spatial analysis and prediction, geostatistical analysis, entity content analysis and graphic visualization in a three-dimensional environment with computer technology and is used in geological analysis. In this paper, the three-dimensional geological modeling of an iron mine through the use of Surpac is constructed, and the weight difference of the estimation methods between the distance power inverse ratio method and ordinary kriging is studied, and the ore body volume and reserves are simulated and calculated by using these two methods. Compared with the actual mine reserves, its result is relatively accurate, so it provides scientific bases for mine resource assessment, reserve calculation, mining design and so on.

Keywords: three-dimensional geological modeling, geological database, geostatistics, block model

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Authors: Agria Rhamdhan

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WhatsApp as the most popular mobile messaging app has been used as evidence in many criminal cases. As the use of mobile messages generates large amounts of data, forensic investigation faces the challenge of large data problems. The hardest part of finding this important evidence is because current practice utilizes tools and technique that require manual analysis to check all messages. That way, analyze large sets of mobile messaging data will take a lot of time and effort. Our work offers methodologies based on forensic triage to reduce large data to manageable sets resulting easier to do detailed reviews, then show the results through interactive visualization to show important term, entities and relationship through intelligent ranking using Term Frequency-Inverse Document Frequency (TF-IDF) and Latent Dirichlet Allocation (LDA) Model. By implementing this methodology, investigators can improve investigation processing time and result's accuracy.

Keywords: forensics, triage, visualization, WhatsApp

Procedia PDF Downloads 168

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

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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

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Authors: Pramod Kumar, A. V. N. Swamy, C. V. Sowjanya, C. V. Ramachandra Murthy

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Biosorption is one of the effective methods for the removal of heavy metal ions from aqueous solutions. Results are presented showing the sorption of Pb(II) from solutions by biomass of commonly available marine algae Chlorella sp. The ability of marine algae Chlorella pyrenoidosa to remove heavy metal ion (Pb(II)) from aqueous solutions has been studied in this work. The biosorption properties of the biosorbent like equilibrium agitation time, optimum pH, temperature and initial solute concentration were investigated on metal uptake by showing respective profiles. The maximum metal uptake was found to be 10.27 mg/g. To achieve this metal uptake, the optimum conditions were found to be 30 min as equilibrium agitation time, 4.6 as optimum pH, 60 ppm of initial solute concentration. Lead concentration is determined by atomic absorption spectrometer. The process was found to be well fitted for pseudo-second order kinetics.

Keywords: biosorption, heavy metal ions, agitation time, metal uptake, aqueous solution

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Authors: V. Pérez-Herranz, C. González-Buch, E. M. Ortega, S. Mestre

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In this work new macroporous Ni electrodes modified with Au nanoparticles for hydrogen production have been developed. The supporting macroporous Ni electrodes have been obtained by means of the electrodeposition at high current densities. Then, the Au nanoparticles were synthesized and added to the electrode surface. The electrocatalytic behaviour of the developed electrocatalysts was studied by means of pseudo-steady-state polarization curves, electrochemical impedance spectroscopy (EIS) and hydrogen discharge curves. The size of the Au synthetized nanoparticles shows a monomodal distribution, with a very sharp band between 10 and 50 nm. The characteristic parameters d10, d50 and d90 were 14, 20 and 31 nm respectively. From Tafel polarization data has been concluded that the Au nanoparticles improve the catalytic activity of the developed electrodes towards the HER respect to the macroporous Ni electrodes. EIS permits to obtain the electrochemically active area by means of the roughness factor value. All the developed electrodes show roughness factor values in the same order of magnitude. From the activation energy results it can be concluded that the Au nanoparticles improve the intrinsic catalytic activity of the macroporous Ni electrodes.

Keywords: Au nano particles, hydrogen evolution reaction, porous Ni electrodes, electrochemical impedance spectroscopy

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Authors: Raghad A. Altowairgi

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With the wide spread of social media platforms, young people tend to use them extensively as the first means of communication due to their ease and modernity. But these platforms often create a fertile ground for bullies to practice their aggressive behavior against their victims. Platform usage cannot be reduced, but intelligent mechanisms can be implemented to reduce the abuse. This is where machine learning comes in. Understanding and classifying text can be helpful in order to minimize the act of cyberbullying. Artificial intelligence techniques have expanded to formulate an applied tool to address the phenomenon of cyberbullying. In this research, machine learning models are built to classify text into two classes; cyberbullying and non-cyberbullying. After preprocessing the data in 4 stages; removing characters that do not provide meaningful information to the models, tokenization, removing stop words, and lowering text. BoW and TF-IDF are used as the main features for the five classifiers, which are; logistic regression, Naïve Bayes, Random Forest, XGboost, and Catboost classifiers. Each of them scores 92%, 90%, 92%, 91%, 86% respectively.

Keywords: cyberbullying, machine learning, Bag-of-Words, term frequency-inverse document frequency, natural language processing, Catboost

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Authors: Adi A. Maaita, Hamza A. A. Al Sewadi

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One of the crucial parameters of digital cryptographic systems is the selection of the keys used and their distribution. The randomness of the keys has a strong impact on the system’s security strength being difficult to be predicted, guessed, reproduced or discovered by a cryptanalyst. Therefore, adequate key randomness generation is still sought for the benefit of stronger cryptosystems. This paper suggests an algorithm designed to generate and test pseudo random number sequences intended for cryptographic applications. This algorithm is based on mathematically manipulating a publically agreed upon information between sender and receiver over a public channel. This information is used as a seed for performing some mathematical functions in order to generate a sequence of pseudorandom numbers that will be used for encryption/decryption purposes. This manipulation involves permutations and substitutions that fulfills Shannon’s principle of “confusion and diffusion”. ASCII code characters wereutilized in the generation process instead of using bit strings initially, which adds more flexibility in testing different seed values. Finally, the obtained results would indicate sound difficulty of guessing keys by attackers.

Keywords: cryptosystems, information security agreement, key distribution, random numbers

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Authors: Abdelmadjid Mammeri, Fatima Zohra Mahi, Luca Varani, H. Marinchoi

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We propose an analytical model for the admittance and the noise calculations of the InGaAs transistor and diode. The development of the small-signal admittance takes into account the longitudinal and transverse electric fields through a pseudo two-dimensional approximation of the Poisson equation. The frequency-dependent of the small-signal admittance response is determined by the total currents and the potentials matrix relation between the gate and the drain terminals. The noise is evaluated by using the real part of the transistor/diode admittance under a small-signal perturbation. The analytical results show that the admittance spectrum exhibits a series of resonant peaks corresponding to the excitation of plasma waves. The appearance of the resonance is discussed and analyzed as functions of the channel length and the temperature. The model can be used, on one hand; to control the appearance of the plasma resonances, and on other hand; can give significant information about the noise frequency dependence in the InGaAs transistor and diode.

Keywords: InGaAs transistors, InGaAs diode, admittance, resonant peaks, plasma waves, analytical model

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Authors: Javier Sánchez, Laura Elena De León Prado, Dora Alicia Cortés Hernández

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Magnetic spinel ferrites are materials that possess size, magnetic properties and heating ability adequate for their potential use in biomedical applications. The Mn_0.5Ga_0.5Fe₂O₄ magnetic nanoparticles (MNPs) were synthesized by sol-gel method using citric acid as chelating agent of metallic precursors. The synthesized samples were identified by X-Ray Diffraction (XRD) as an inverse spinel structure with no secondary phases. Saturation magnetization (Ms) of crystalline powders was 45.9 emu/g, which was higher than those corresponding to GaFe₂O₄ (14.2 emu/g) and MnFe₂O₄ (40.2 emu/g) synthesized under similar conditions, while the coercivity field (Hc) was 27.9 Oe. The average particle size was 18 ± 7 nm. The heating ability of the MNPs was enough to increase the surrounding temperature up to 43.5 °C in 7 min when a quantity of 4.5 mg of MNPs per mL of liquid medium was tested. Cytotoxic effect (hemolysis assay) of MNPs was determined and the results showed hemolytic values below 1% in all tested cases. According to the results obtained, these synthesized nanoparticles can be potentially used as thermoseeds for hyperthermia therapy.

Keywords: manganese-gallium ferrite, magnetic hyperthermia, heating ability, cytotoxicity

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Authors: H. A. Alguhi, W. A. Elsaigh

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This paper provides a tensile stress-strain (σ-ε) relationship for High-Strength Steel Fiber Reinforced Concrete (HSFRC). Load-deflection (P-δ) behavior of HSFRC beams tested under four-point flexural load were used with inverse analysis to calculate the tensile σ-ε relationship for various tested concrete grades (70 and 90MPa) containing 60 kg/m3 (0.76 %) of hook-end steel fibers. A first estimate of the tensile (σ-ε) relationship is obtained using RILEM TC 162-TDF and other methods available in literature, frequently used for determining tensile σ-ε relationship of Normal-Strength Concrete (NSC) Non-Linear Finite Element Analysis (NLFEA) package ABAQUS® is used to model the beam’s P-δ behavior. The results have shown that an element-size dependent tensile σ-ε relationship for HSFRC can be successfully generated and adopted for further analyzes involving HSFRC structures.

Keywords: tensile stress-strain, flexural response, high strength concrete, steel fibers, non-linear finite element analysis

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Authors: J. Ranjbarn, A. Alibeigloo

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In this paper, we present an analytical method for analysis of nano-scale spherical shell subjected to thermo-mechanical shocks based on nonlocal elasticity theory. Thermo-mechanical properties of nano shpere is assumed to be temperature dependent. Governing partial differential equation of motion is solved analytically by using Laplace transform for time domain and power series for spacial domain. The results in Laplace domain is transferred to time domain by employing the fast inverse Laplace transform (FLIT) method. Accuracy of present approach is assessed by comparing the the numerical results with the results of published work in literature. Furtheremore, the effects of non-local parameter and wall thickness on the dynamic characteristics of the nano-sphere are studied.

Keywords: nano-scale spherical shell, nonlocal elasticity theory, thermomechanical shock, dynamic response

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Authors: Abdullah M. Alzahrani

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The karyotypes of Khalas (KH), Sukkary (SK), Sheeshi (SS), Shibeebi (SB) and Sillije (SJ) date palm cultivars were investigated. Data showed no variation in chromosome number, 2n = 36, 34 autosomes in addition to XX in females and XY in males. Mean autosomes length ranged from 3.85-9.93 μm and 3.71-2.73 μm for X and Y chromosomes, respectively. The formula of female date palm karyotype was 8m + 4sm +2st + 4t, and submedian Y chromosome. Relative chromosome length ranged from 3.3- 9.38 μm. SS cultivar showed high asymmetry levels by scoring low values of Syi (45.51), TF (42.8) and high values for A1 (0.53), A (0.41) and AI (0.29). Syi developed an inverse relation with A1 and A while A exhibited a direct correlation with A1. Cultivars SK, SB and SJ score medium values of Syi, A1, AI and A. KH cultivar exhibited high symmetry by scoring highest values of Syi (53.68), TF (51.81) and lowest values of A1 (0.44), A (0.34) and AI (0.18). Higher DI value was obtained in SB cultivar (1.34) followed by SJ (1.15) and low DI scores of 0.99, 0.86 and 0.71 were detected in KH, SS and SK, respectively. Stebbins classification assorted SS as 3B and the other cultivars as 2B, insuring the evolution and asymmetry of SS compared to the other karyotypes. Scatter diagram of Syi-A1 couple has the advantage of revealing high degree of sensitivity to present karyotype interrelationships, followed by AI-A and CVCL-CVCI couples.

Keywords: Karyotype, date palm, Khalas, Sukkary, Sheeshi

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Authors: Rafida M. Elobaid

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Most of the literature on goodness-of-fit test try to provide a theoretical basis for studying empirical distribution functions. Such goodness-of-fit tests are Kolmogorove-Simirnov and Crumer-Von Mises Type tests. However, it is likely that most of literature has not focused in details on the relationship of the values of the test statistics and skewness or kurtosis. The aim of this study is to investigate the behavior of the values of the χ2 test statistic with the variation of the skewness of right skewed distribution. A simulation study is conducted to generate random numbers from Weibull distribution. For a fixed sample sizes, different levels of skewness are considered, and the corresponding values of the χ2 test statistic are calculated. Using different sample sizes, the results show an inverse relationship between the value of χ2 test and the level of skewness for Wiebull distribution, i.e the value of χ2 test statistic decreases as the value of skewness increases. The research results also show that with large values of skewness we are more confident that the data follows the assumed distribution. Nonparametric Kendall τ test is used to confirm these results.

Keywords: goodness-of-fit test, chi-square test, simulation, continuous right skewed distributions

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Authors: Halima Adel Halim Shnishah, David Mulvaney

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Applying traditional symmetric cryptography algorithms while computing encryption and decryption provides immunity to secret keys against different attacks. One of the popular techniques generating automated secret keys is evolutionary computing by using Eureqa API tool, which got attention in 2013. In this paper, we are generating automated secret keys for image encryption and decryption using Eureqa API (tool which is used in evolutionary computing technique). Eureqa API models pseudo-random input data obtained from a suitable source to generate secret keys. The validation of generated secret keys is investigated by performing various statistical tests (histogram, chi-square, correlation of two adjacent pixels, correlation between original and encrypted images, entropy and key sensitivity). Experimental results obtained from methods including histogram analysis, correlation coefficient, entropy and key sensitivity, show that the proposed image encryption algorithms are secure and reliable, with the potential to be adapted for secure image communication applications.

Keywords: image encryption algorithms, Eureqa, statistical measurements, automated key generation

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Authors: Martin Cermak, Tomas Karasek, Jaroslav Rojicek

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The key role in phenomenological modelling of cyclic plasticity is good understanding of stress-strain behaviour of given material. There are many models describing behaviour of materials using numerous parameters and constants. Combination of individual parameters in those material models significantly determines whether observed and predicted results are in compliance. Parameter identification techniques such as random gradient, genetic algorithm, and sensitivity analysis are used for identification of parameters using numerical modelling and simulation. In this paper genetic algorithm and sensitivity analysis are used to study effect of 4 parameters of modified AbdelKarim-Ohno cyclic plasticity model. Results predicted by Finite Element (FE) simulation are compared with experimental data from biaxial ratcheting test with semi-elliptical loading path.

Keywords: genetic algorithm, sensitivity analysis, inverse approach, finite element method, cyclic plasticity, ratcheting

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Authors: H. Alheeh, M. Alameri, A. Al Tarabsheh

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There has been a growing interest in CMOS-based sensors technology in cameras as they afford low-power, small-size, and cost-effective imaging systems. This article describes the CMOS image sensor pixel categories and presents the design and the simulation of the 3-Transistor (3T) Active Pixel Sensor (APS) in MATLAB/Simulink tool. The analysis investigates the conversion of the light into an electrical signal for a single pixel sensing circuit, which consists of a photodiode and three NMOS transistors. The paper also proposes three modes for the pixel operation; reset, integration, and readout modes. The simulations of the electrical signals for each of the studied modes of operation show how the output electrical signals are correlated to the input light intensities. The charging/discharging speed for the photodiodes is also investigated. The output voltage for different light intensities, including in dark case, is calculated and showed its inverse proportionality with the light intensity.

Keywords: APS, CMOS image sensor, light intensities photodiode, simulation

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Authors: Fabrizio Iezzi, Claudio Valente

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The viscous damping in dynamic systems can be proportional or non-proportional. In the first case, the mode shapes are real whereas in the second case they are complex. From an engineering point of view, the complexity of the mode shapes is important in order to quantify the non-proportional damping. Different indices exist to provide estimates of the modal complexity. These indices are or not zero, depending whether the mode shapes are not or are complex. The modal density problem arises in the experimental identification when the dynamic systems have close modal frequencies. Depending on the entity of this closeness, the mode shapes can hold fictitious imaginary quantities that affect the values of the modal complexity indices. The results are the failing in the identification of the real or complex mode shapes and then of the proportional or non-proportional damping. The paper aims to show the influence of the modal density on the values of these indices in case of both proportional and non-proportional damping. Theoretical and pseudo-experimental solutions are compared to analyze the problem according to an appropriate mechanical system.

Keywords: complex mode shapes, dynamic systems identification, modal density, non-proportional damping

Procedia PDF Downloads 387

Authors: Chompoonut Chaiyaraksa, Chanida Singbubpha, Kliaothong Angkabkingkaew, Thitikorn Boonyasawin

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Heavy metal contamination in an environment is an important problem in Thailand that needs to be addressed urgently, particularly contaminated with water. It can spread to other environments faster. This research aims to study the adsorption of cadmium ion by unmodified biochar and sodium dodecyl sulfate modified magnetic biochar derived from Eichhornia Crassipes. The determination of the adsorbent characteristics was by Scanning Electron Microscope, Fourier Transform Infrared Spectrometer, X-ray Diffractometer, and the pH drift method. This study also included the comparison of adsorption efficiency of both types of biochar, adsorption isotherms, and kinetics. The pH value at the point of zero charges of the unmodified biochar and modified magnetic biochar was 7.40 and 3.00, respectively. The maximum value of adsorption reached when using pH 8. The equilibrium adsorption time was 5 hours and 1 hour for unmodified biochar and modified magnetic biochar, respectively. The cadmium adsorption by both adsorbents followed Freundlich, Temkin, and Dubinin – Radushkevich isotherm model and the pseudo-second-order kinetic. The adsorption process was spontaneous at high temperatures and non-spontaneous at low temperatures. It was an endothermic process, physisorption in nature, and can occur naturally.

Keywords: Eichhornia crassipes, magnetic biochar, sodium dodecyl sulfate, water treatment

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Authors: Hong Zhang

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Photocatalytic degradation is an appealing process to remove organic contaminants from industrial wastewater, but usually impeded by less effective photocatalysts. Here, we successfully synthesized Ag doped La₂Ti₂O₇ via a simple sol-gel route for photocatalytic methyl orange (MO) degradation. Their crystal structures, morphology, surface area and optical absorption activity were systematically characterized by X-ray diffraction, scanning electron microscope, BET N₂ adsorption-desorption study, and UV-vis diffuse reflectance spectra. The photocatalytic activity was evaluated by MO photodegradation under a 300 W xenon lamp. The results indicate that the doping of Ag has effectively narrowed the band gap, increased the specific area of La2Ti2O7, and supressed the recombination of photogenerated carriers. Compared with the pristine La₂Ti₂O₇, La₁.₉Ag₀.₁Ti₂O₇-δ revealed a superior performance for MO degradation with a degradation rate of 97% in only 60 min. Also, the pseudo-first order kinetic constant for La₁.₉Ag₀.₁Ti₂O₇-δ is ~ 11 times higher than that of undoped sample. The outstanding performance of Ag modified La₂Ti₂O₇ is probably attributed to the integrated factors. Active species trapping experiments indicated that h+ plays a critical role in MO degradation, while •O₂− has slight effect on the photocatalytic activity and the function of •OH can almost be neglected.

Keywords: Ag doped La₂Ti₂O₇, methyl orange, photodegradation, surface plasmon resonance

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Authors: M. Mana, M. S. Ouali, L. C. de Menorval

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A spent bleaching earth from an edible oil refinery has been treated by impregnation with a normal sodium hydroxide solution followed by mild thermal treatment (100°C). The obtained material (TSBE) was washed, dried and characterized by X-ray diffraction, FTIR, SEM, BET, and thermal analysis. The clay structure was not apparently affected by the treatment and the impregnated organic matter was quantitatively removed. We have investigated the comparative sorption of safranine and methylene blue on this material, the spent bleaching earth (SBE) and the virgin bleaching earth (VBE). The kinetic results fit the pseudo second order kinetic model and the Weber & Morris, intra-particle diffusion model. The pH had no effect on the sorption efficiency. The sorption isotherms followed the Langmuir model for various sorbent concentrations with good values of determination coefficient. A linear relationship was found between the calculated maximum removal capacity and the solid/solution ratio. A comparison between the results obtained with this material and those of the literature highlighted the low cost and the good removal capacity of the treated spent bleaching earth.

Keywords: basic dyes, isotherms, sorption, spent bleaching earth

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Authors: Soudabeh Shemehsavar

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In this paper, we consider the situation under a life test, in which the failure time of the test units are not related deterministically to an observable stochastic time varying covariate. In such a case, the joint distribution of failure time and a marker value would be useful for modeling the step stress life test. The problem of accelerating such an experiment is considered as the main aim of this paper. We present a step stress accelerated model based on a bivariate Wiener process with one component as the latent (unobservable) degradation process, which determines the failure times and the other as a marker process, the degradation values of which are recorded at times of failure. Parametric inference based on the proposed model is discussed and the optimization procedure for obtaining the optimal time for changing the stress level is presented. The optimization criterion is to minimize the approximate variance of the maximum likelihood estimator of a percentile of the products’ lifetime distribution.

Keywords: bivariate normal, Fisher information matrix, inverse Gaussian distribution, Wiener process

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Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

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Authors: Davood Yazdani Cherati, Ali Pak, Mehrdad Jafarzadeh

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This research contains the formulation of a two-dimensional analytical solution to transient heat, and moisture flow in a semi-infinite unsaturated soil environment under the influence of daily temperature changes. For this purpose, coupled energy conservation and mass fluid continuity equations governing hydrothermal behavior of unsaturated soil media are presented in terms of temperature and volumetric moisture content. In consideration of the soil environment as an infinite half-space and by linearization of the governing equations, Laplace–Fourier transformation is conducted to convert differential equations with partial derivatives (PDEs) to ordinary differential equations (ODEs). The obtained ODEs are solved, and the inverse transformations are calculated to determine the solution to the system of equations. Results indicate that heat variation induces moisture transport in both horizontal and vertical directions.

Keywords: analytical solution, heat conduction, hydrothermal analysis, laplace–fourier transformation, two-dimensional

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Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

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Authors: Leila Vafajoo, Feria Ghanaat, Alireza Mohmadi Kartalaei, Amin Ghalebi

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Petrochemical industries are playing an important role in producing wastewaters. Nowadays different methods are employed to treat these materials. The goal of the present research was to reduce the COD of a petrochemical wastewater via adsorption technique using a commercial granular activated carbon (GAC) as adsorbent. In the current study, parameters of kinetic models as well as; adsorption isotherms were determined through utilizing the Langmuir and Freundlich isotherms. The key parameters of KL= 0.0009 and qm= 33.33 for the former and nf=0.5 and Kf= 0.000004 for the latter isotherms resulted. Moreover, a correlation coefficient of above 90% for both cases proved logical use of such isotherms. On the other hand, pseudo-first and -second order kinetics equations were implemented. These resulted in coefficients of k1=0.005 and qe=2018 as well as; K2=0.009 and qe=1250; respectively. In addition, obtaining the correlation coefficients of 0.94 and 0.68 for these 1st and 2nd order kinetics; respectively indicated advantageous use of the former model. Furthermore, a significant experimental reduction of the petrochemical wastewater COD revealed that, using GAC for the process undertaken was an efficient mean of treatment. Ultimately, the current investigation paved down the road for predicting the system’s behavior on industrial scale.

Keywords: petrochemical wastewater, adsorption, granular activated carbon, equilibrium isotherm, kinetic model

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Authors: Premrudee Kanchanapiya, Supachai Songngam, Thanapol Tantisattayakul

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Perfluorooctanoic acid (PFOA) is one of per- and polyfluoroalkyl substances (PFAS) that have increasingly attracted concerns due to their global distribution in environment, persistence, high bioaccumulation, and toxicity. It is important to study the effective treatment to remove PFOA from contaminated water. The feasibility of using commercial coconut shell activated carbon produced in Thailand to remove PFOA from water was investigated with regard to their adsorption kinetics and isotherms of powder activated carbon (PAC-325) and granular activated carbon (GAC-20x50). Adsorption kinetic results show that the adsorbent size significantly affected the adsorption rate of PFOA, and GAC-20x50 required at least 100 h to achieve the equilibrium, much longer than 3 h for PAC-325. Two kinetic models were fitted to the experimental data, and the pseudo-second-order model well described the adsorption of PFOA on both PAC-325 and GAC-20x50. PAC-325 trended to adsorb PFOA faster than GAC-20x50, and testing with the shortest adsorption times (5 min) still yielded substantial PFOA removal (~80% for PAC-325). The adsorption isotherms show that the adsorption capacity of PAC-325 was 0.80 mmol/g, which is 83 % higher than that for GAC-20x50 (0.13 mmol/g), according to the Langmuir fitting.

Keywords: perfluorooctanoic acid, PFOA, coconut shell activated carbons, adsorption, water treatment

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Authors: Mohammed S. Al-Rawi, J. Bastos, J. Rodriguez

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Object detection and object recognition are essential components of every computer vision system. Despite the high computational complexity and other problems related to numerical stability and accuracy, Zernike moments of 2D images (ZMs) have shown resilience when used in object recognition and have been used in various image analysis applications. In this work, we propose a novel method for computing ZMs via Fast Fourier Transform (FFT). Notably, this is the first algorithm that can generate ZMs up to extremely high orders accurately, e.g., it can be used to generate ZMs for orders up to 1000 or even higher. Furthermore, the proposed method is also simpler and faster than the other methods due to the availability of FFT software and/or hardware. The accuracies and numerical stability of ZMs computed via FFT have been confirmed using the orthogonality property. We also introduce normalizing ZMs with Neumann factor when the image is embedded in a larger grid, and color image reconstruction based on RGB normalization of the reconstructed images. Astonishingly, higher-order image reconstruction experiments show that the proposed methods are superior, both quantitatively and subjectively, compared to the q-recursive method.

Keywords: Chebyshev polynomial, fourier transform, fast algorithms, image recognition, pseudo Zernike moments, Zernike moments

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Authors: Francis O. Nwawuru, Jeremiah N. Ezeora

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In this paper, a new algorithm for solving the system of split equilibrium and fixed point problems in real Hilbert spaces is considered. The equilibrium bifunction involves a nite family of pseudo-monotone mappings, which is an improvement over monotone operators. More so, it turns out that the solution of the finite family of nonexpansive mappings. The regularized parameters do not depend on Lipschitz constants. Also, the computations of the stepsize, which plays a crucial role in the convergence analysis of the proposed method, do require prior knowledge of the norm of the involved bounded linear map. Furthermore, to speed up the rate of convergence, an inertial term technique is introduced in the proposed method. Under standard assumptions on the operators and the control sequences, using a modified Halpern iteration method, we establish strong convergence, a desired result in applications. Finally, the proposed scheme is applied to solve some optimization problems. The result obtained improves numerous results announced earlier in this direction.

Keywords: equilibrium, Hilbert spaces, fixed point, nonexpansive mapping, extragradient method, regularized equilibrium

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Authors: Renu Gupta, Ashim K. Pramanik

Abstract:

We report the evolution of structure and magnetic properties in perovskite ruthenates Sr1-xPrxRuO3 (x = 0.0 and 0.1). Our main expectations, to induce the structural modification and change the Ru charge state by Pr doping at Sr site. By the Pr doping on Sr site retains orthorhombic structure while we find a minor change in structural parameters. The SrRuO3 have itinerant type of ferromagnetism with ordering temperature ~160 K. By Pr doping, the magnetic moment decrease and ZFC show three distinct peaks (three transition temperature; TM1, TM2 and TM3). Further analysis of magnetization of both samples, at high temperature follow modified CWL and Pr doping gives Curie temperature ~ 129 K which is close to TM2. Above TM2 to TM3, the inverse susceptibility shows upward deviation from CW behavior, indicating the existence AFM like clustered in this regime. The low-temperature isothermal magnetization M (H) shows moment decreases by Pr doping. The Arrott plot gives spontaneous magnetization (Ms) which also decreases by Pr doping. The evolution of Rhodes-Wohlfarth ratio increases which suggests the FM in this system evolves toward the itinerant type by Pr doping.

Keywords: itinerant ferromagnet, Perovskite structure, Ruthenates, Rhodes-Wohlfarth ratio

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Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

Procedia PDF Downloads 325