Search results for: keto-enol equilibrium

Authors: Leila Momenzadeh, Alexander V. Evteev, Elena V. Levchenko, Tanvir Ahmed, Irina Belova, Graeme Murch

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In this work, the phonon thermal conductivity of f.c.c. Al is investigated in detail in the temperature range 100 – 900 K within the framework of equilibrium molecular dynamics simulations making use of the Green-Kubo formalism and one of the most reliable embedded-atom method potentials. It is found that the heat current auto-correlation function of the f.c.c. Al model demonstrates a two-stage temporal decay similar to the previously observed for f.c.c Cu model. After the first stage of decay, the heat current auto-correlation function of the f.c.c. Al model demonstrates a peak in the temperature range 100-800 K. The intensity of the peak decreases as the temperature increases. At 900 K, it transforms to a shoulder. To describe the observed two-stage decay of the heat current auto-correlation function of the f.c.c. Al model, we employ decomposition model recently developed for phonon-mediated thermal transport in a monoatomic lattice. We found that the electronic contribution to the total thermal conductivity of f.c.c. Al dominates over the whole studied temperature range. However, the phonon contribution to the total thermal conductivity of f.c.c. Al increases as temperature decreases. It is about 1.05% at 900 K and about 12.5% at 100 K.

Keywords: aluminum, gGreen-Kubo formalism, molecular dynamics, phonon thermal conductivity

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Authors: Allouache Nadia

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Solid adsorption cooling machines have been extensively studied recently. They constitute very attractive solutions recover important amount of industrial waste heat medium temperature and to use renewable energy sources such as solar energy. The development of the technology of these machines can be carried out by experimental studies and by mathematical modelisation. This last method allows saving time and money because it is suppler to use to simulate the variation of different parameters. The adsorption cooling machines consist essentially of an evaporator, a condenser and a reactor (object of this work) containing a porous medium, which is in our case the activated carbon reacting by adsorption with ammoniac. The principle can be described as follows: When the adsorbent (at temperature T) is in exclusive contact with vapour of adsorbate (at pressure P), an amount of adsorbate is trapped inside the micro-pores in an almost liquid state. This adsorbed mass m, is a function of T and P according to a divariant equilibrium m=f (T,P). Moreover, at constant pressure, m decreases as T increases, and at constant adsorbed mass P increases with T. This makes it possible to imagine an ideal refrigerating cycle consisting of a period of heating/desorption/condensation followed by a period of cooling/adsorption/evaporation. Effect of key parameters on the machine performances are analysed and discussed.

Keywords: activated carbon-ammoniac pair, effect of key parameters, numerical modeling, solar cooling machine

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Authors: Houari Boumediene University of Science, Technology.

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"Various methods are typically used in the dynamic analysis of transversely vibrating beams. To achieve this, numerical methods are used to solve the general eigenvalue problem. The equations of equilibrium, which describe the motion, are derived from a fourth-order differential equation. Our study is based on the finite element method, and the results of the investigation are the vibration frequencies obtained using the Jacobi method. Two types of elementary mass matrices are considered: one representing a uniform distribution of mass along the element and the other consisting of concentrated masses located at fixed points whose number increases progressively with equal distances at each evaluation stage. The beams studied have different boundary constraints, representing several classical situations. Comparisons are made for beams where the distributed mass is replaced by n concentrated masses. As expected, the first calculation stage involves determining the lowest number of beam parts that gives a frequency comparable to that obtained from the Rayleigh formula. The obtained values are then compared to theoretical results based on the assumptions of the Bernoulli-Euler theory. These steps are repeated for the second type of mass representation in the same manner."

Keywords: finite element method, bernouilli eulertheory, structural analysis, vibration analysis, rayleigh quotient

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Authors: Chao He, Shunhua Zhou, Peijun Guo

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The vast majority of existing underground railway lines consist of twin tunnels. In this paper, the dynamic interaction between two neighboring tunnels in a layered half-space is investigated by an analytical model. The two tunnels are modelled as cylindrical thin shells, while the soil in the form of a layered half-space with two cylindrical cavities is simulated by the elastic continuum theory. The transfer matrix method is first used to derive the relationship between the plane wave vectors in arbitrary layers and the source layer. Thereafter, the wave translation and transformation are introduced to determine the plane and cylindrical wave vectors in the source layer. The solution for the dynamic interaction between twin tunnels in a layered half-space is obtained by means of the compatibility of displacements and equilibrium of stresses on the two tunnel–soil interfaces. By coupling the proposed model with a fully track model, the train-induced vibrations from twin tunnels in a multi-layered half-space are investigated. The numerical results demonstrate that the existence of a neighboring tunnel has a significant effect on ground vibrations.

Keywords: underground railway, twin tunnels, wave translation and transformation, transfer matrix method

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Authors: Mulata Haile Nega, Derebew Fikadu Berhe, Vera Ribeiro Marques

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There is no epidemiologic data on this gene polymorphism in several countries. Therefore, this study aimed to assess the genotype and allele frequencies of the gene variant in three countries. This study involved healthy individuals from Colombia, Mozambique, and Portugal. Genomic DNA was isolated from blood samples using the Qiamp DNA Extraction Kit (Qiagen). The isolated DNA was genotyped using Polymerase Chain Reaction (PCR) - Restriction Fragment Length Polymorphism. Microstat and GraphPad quick cal software were used for the Chi-square test and evaluation of Hardy-Weinberg equilibrium, respectively. A total of 181 individuals’ blood sample was analyzed. Overall, TT (74.0%) genotype was the highest, and CC (7.8%) was the lowest. Country wise genotypic frequencies were Colombia 47(70.2%) TT, 12(17.9%) TC and 8(11.9%) CC; Mozambique 47(88.7%) TT, 5(9.4%) TC, and 1(1.9%) CC; and Portugal 40(65.6%) TT, 16(26.2%) TC, and 5(8.2%) CC. The reference (T) allele was highest among Mozambicans (93.4%) compared to Colombians (79.1%) and Portuguese (78.7%). Mozambicans showed statistically significant genotypic and allelic frequency differences compared to Colombians (p<0.01) and Portuguese (p <0.01). Overall and country-wise, the CC genotype was less frequent and relatively high for Colombians and Portuguese populations. This finding may imply statins risk-benefit variability associated with CC genotype among these populations that needs further understanding.

Keywords: c.521T>C, polymorphism, SLCO1B1, SNP, statins

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Authors: Sarita Kumari, Ranjit Kumar Upadhyay

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This paper deals with plankton-fish dynamics where the fish population is growing logistically and nonlinearly harvested. The interaction between phytoplankton and zooplankton population is considered to be Crowley-Martin type functional response. It has been assumed that phytoplankton grows logistically and is affected by a space-dependent growth rate. Conditions for the existence of a positive equilibrium point and their stability analysis (both local and global) have been discussed for the non-spatial system. We have discussed maximum sustainable yields as well as optimal harvesting policy for maximizing the economic gain. The stability and existence of Hopf –bifurcation analysis have been discussed for the spatial system. Different conditions for turning pattern formation have been established through diffusion-driven instability analysis. Numerical simulations have been carried out for both non-spatial and spatial models. Phase plane analysis, the largest Lyapunov exponent, and bifurcation theory are used to numerically analyzed the non-spatial system. Our study shows that spatial heterogeneity, the mortality rate of phytoplankton, and constant harvesting of the fish population each play an important role in the dynamical behavior of the marine system.

Keywords: optimal harvesting, pattern formation, spatial heterogeneity, Crowley-Martin functional response

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Authors: Sumit Kumar Vishawakarma, Tapas Ranjan Panihari

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The article investigates the propagation behavior of SV-wave, SH-wave, and P-wave in a continuously inhomogeneous cross-anisotropic material, where the material properties such as Young's moduli, shear modulus, and density vary as an arbitrary continuous function of depth. In the considered model, Hook's law, strain-displacement relations along with equilibrium equations have been used to derive the governing equation. The mathematical formulation of this physical problem gives rise to an eigenvalue problem with displacement components as fundamental variables. This leads to achieving the closed-form expressions for quasi-wave velocities of SV-wave, SH-wave, and P-wave in the considered framework. These characteristics of wave propagation along with the above-stated variation have been scrutinized based on their numerical results. This parametric study reveals that wave velocity remarkably fluctuates as the magnitude of inhomogeneity parameters increases and decreases. The prominent effect has been shown depicting the dependence of wave velocity on the degree of material anisotropy. The influence of phase angle and depth of the medium has been remarkably established. The present study may facilitate the theoretical foundation and practical application in the field of earthquake source mechanisms.

Keywords: cross-anisotropic, inhomogeneity, P-wave, SH-wave, SV-wave, shear modulus, Young’s modulus

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Authors: Ali Yasin, Ali Kamran, Muhammad Safdar

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In order to reduce the hefty cost involved in terms of time and project cost, the development and application of advanced numerical tools to address the burn-back analysis problem in solid rocket motor design and development is the need of time. Several advanced numerical schemes have been developed in recent times, but their usage in the design of propellant grain of solid rocket motors is very rare. In this paper, an advanced numerical technique named the Level-Set method has been utilized for the burn-back analysis of star grain to study the effect of geometrical parameters on ballistic performance indicators such as solid loading, neutrality, and sliver percentage. In the level set technique, simple finite difference methods may fail quickly and require more sophisticated non-oscillatory schemes for feasible long-time simulation. For internal ballistic calculations, a simplified equilibrium pressure method is utilized. Preliminary results of the operative conditions, for all the combustion time, of star grain burn-back using level set techniques are compared with published results using CAD technique to test the developed numerical model.

Keywords: solid rocket motor, internal ballistic, level-set technique, star grain

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Authors: Bruno Mazorra Roig

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In the realm of cost-sharing mechanisms, the vulnerability to Sybil strategies, where agents can create fake identities to manipulate outcomes, has not yet been studied. In this paper, we delve into the intricacies of different cost-sharing mechanisms proposed in the literature, highlighting its non-Sybil-resistance nature. Furthermore, we prove that under mild conditions, a Sybil-proof cost-sharing mechanism for public excludable goods is at least (n/2 + 1)−approximate. This finding reveals an exponential increase in the worst-case social cost in environments where agents are restricted from using Sybil strategies. We introduce the concept of Sybil Welfare Invariant mechanisms, where a mechanism maintains its worst-case welfare under Sybil strategies for every set of prior beliefs with full support even when the mechanism is not Sybil-proof. Finally, we prove that the Shapley value mechanism for public excludable goods holds this property and so deduce that the worst-case social cost of this mechanism is the nth harmonic number Hn under the equilibrium of the game with Sybil strategies, matching the worst-case social cost bound for cost-sharing mechanisms. This finding carries important implications for decentralized autonomous organizations (DAOs), indicating that they are capable of funding public excludable goods efficiently, even when the total number of agents is unknown.

Keywords: game theory, mechanism design, cost sharing, false-name proofness

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Authors: Behnam Habibi Dargah

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The economics of cost-benefit theory seeks to monitor claims and determine their final price. The cost of litigation is important because it is a measure of the efficiency of the justice system. From an economic point of view, the cost of litigation is considered to be the point of equilibrium of litigation, whereby litigation is regarded as a high-risk investment and is initiated when the costs are less than the probable and expected benefits. Costs are economically separated into private and social costs. Private cost includes material (direct and indirect) and spiritual costs. The social costs of litigation are also subsidized-centric due to the public and governmental nature of litigation and cover both types of bureaucratic bureaucracy and the costs of judicial misconduct. Macroeconomic policy in the economics of justice is the reverse engineering of controlling the social costs of litigation by employing selective litigation and working on the judicial culture to achieve rationality in the monopoly system. Procedures for controlling and managing court costs are also circumscribed to economic patterns in the field. Rational cost allocation model and cost transfer model. The rational allocation model deals with cost-tolerance systems, and the transfer model also considers three models of transferability, including legal, judicial and contractual transferability, which will be described and explored in the present article in a comparative manner.

Keywords: cost of litigation, economics of litigation, private cost, social cost, cost of litigation

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Authors: Duduku Krishnaiah, S. M. Anisuzzaman, Kumaran Govindaraj, Chiam Chel Ken, Zykamilia Kamin

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Pure essential oil is highly demanded in the market since most of the so-called pure essential oils in the market contains alcohol. This is because of the usage of alcohol in separating oil and water mixture. Removal of pure essential oil from water without using any chemical solvent has become a challenging issue. Adsorbents generally have the properties of separating hydrophobic oil from hydrophilic mixture. Polypropylen nanofiber is a thermoplastic polymer which is produced from propylene. It was used as an adsorbent in this study. Based on the research, it was found that the polypropylene nanofiber was able to adsorb peppermint oil from the aqueous solution over a wide range of concentration. Based on scanning electron microscope (SEM), nanofiber has very small nano diameter fiber size in average before the adsorption and larger scaled average diameter of fibers after adsorption which indicates that smaller diameter of nanofiber enhances the adsorption process. The adsorption capacity of peppermint oil increases as the initial concentration of peppermint oil and amount of polypropylene nanofiber used increases. The maximum adsorption capacity of polypropylene nanofiber was found to be 689.5 mg/g at (T= 30°C). Moreover, the adsorption capacity of peppermint oil decreases as the temperature of solution increases. The equilibrium data of polypropylene nanofiber is best represented by Freundlich isotherm with the maximum adsorption capacity of 689.5 mg/g. The adsorption kinetics of polypropylene nanofiber was best represented by pseudo-second order model.

Keywords: nanofiber, adsorption, peppermint essential oil, isotherms, adsorption kinetics

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Authors: Meriem Harmel, Houari Khachai

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The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.

Keywords: DFT, matlockite, structural properties, electronic structure

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Authors: Shahrokh Barati

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In this paper, we introduced AIDS disease at first, then proposed dynamic model illustrate its progress, after expression of a short history of nonlinear modeling by polynomial phasing systems, we considered the stability conditions of the systems, which contained a huge amount of researches in order to modeling and control of AIDS in dynamic nonlinear form, in this approach using a frame work of control any polynomial phasing modeling system which have been generalized by part of phasing model of T-S, in order to control the system in better way, the stability conditions were achieved based on polynomial functions, then we focused to design the appropriate controller, firstly we considered the equilibrium points of system and their conditions and in order to examine changes in the parameters, we presented polynomial phase model that was the generalized approach rather than previous Takagi Sugeno models, then with using case we evaluated the equations in both open loop and close loop and with helping the controlling feedback, the close loop equations of system were calculated, to simulate nonlinear model of AIDS disease, we used polynomial phasing controller output that was capable to make the parameters of a nonlinear system to follow a sustainable reference model properly.

Keywords: polynomial fuzzy, AIDS, nonlinear AIDS model, fuzzy control systems

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Authors: Mercedeh Malekzadeh

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Scrap tires are the source of wastes that cause the environmental problems. The major components of these tires are rubber and carbon black. These components can be used again for different applications by utilizing physical and chemical processes. Pyrolysis is a way that converts rubber portion of scrap tires to oil and gas and the carbon black recovers to pyrolytic carbon black. This pyrolytic carbon black can be used to reinforce rubber and metal, coating preparation, electronic thermal manager and so on. The porous structure of this carbon black also makes it as a suitable choice for heavy metals removal from water. In this work, the application of base treated pyrolytic carbon black was studied as an adsorbent for chromium (III) removal from water in a batch process. Pyrolytic carbon blacks in two natural and base treated forms were characterized by scanning electron microscopy and energy dispersive analysis x-ray. The effects of adsorbent dosage, contact time, initial concentration of chromium (III) and pH were considered on the adsorption process. The adsorption capacity was 19.76 mg/g. Maximum adsorption was seen after 120 min at pH=3. The equilibrium data were considered and better fitted to Langmuir model. The adsorption kinetic was evaluated and confirmed with the pseudo second order kinetic. Results have shown that the base treated pyrolytic carbon black obtained from scrap tires can be used as a cheap adsorbent for removal of chromium (III) from the water.

Keywords: chromium (III), pyrolytic carbon, scrap tire, water

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Authors: Fatiha Atmani, Lamia Djellab, Nacera Yeddou Mezenner, Zohra Bensaadi

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Generally, bilge waters can be briefly defined as saline and greasy wastewaters. The oil and grease are mixed with the sea water, which affects many marine species. Bilge water is a complex mixture of various compounds such as solvents, surfactants, fuel, lubricating oils, and hydraulic oils. It is resulted mainly by the leakage from the machinery and fresh water washdowns,which are allowed to drain to the lowest inner part of the ship's hull. There are several physicochemical methods used for bilge water treatment such as biodegradation electrochemical and electro-coagulation/flotation.The research herein presented discusses adsorption as a method to treat bilge water and eggshells were studied as an adsorbent. The influence of operating parameters as contact time, temperature and adsorbent dose (0,2 - 2g/l) on the removal efficiency of Chemical oxygen demand, COD, and turbidity was analyzed. The bilge wastewater used for this study was supplied by Harbour Bouharoune. Chemical oxygen demand removal increased from 26.7% to 68.7% as the adsorbent dose increased from 0.2 to 2 g. The kinetics of adsorption by eggshells were fast, reaching 55 % of the total adsorption capacity in ten minutes (T= 20°C, pH =7.66, m=2g/L). It was found that the turbidity removal efficiency decreased and 95% were achieved at the end of 90 min reaction. The adsorption process was found to be effective for the purification of bilge water and pseudo-second-order kinetic model was fitted for COD removal.

Keywords: adsorption, bilge water, eggshells and kinetics, equilibrium and kinetics

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Authors: Md Murshed Bhuyan, Hirotaka Okabe, Yoshiki Hidaka, Kazuhiro Hara

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Pectin-Acrylamide- (Vinyl Phosphonic Acid) Hydrogels were prepared from their blend by using gamma radiation of various doses. It was found that the gel fraction of hydrogel increases with increasing the radiation dose reaches a maximum and then started decreasing with increasing the dose. The optimum radiation dose and the composition of raw materials were determined on the basis of equilibrium swelling which resulted in 20 kGy absorbed dose and 1:2:4 (Pectin:AAm:VPA) composition. Differential scanning calorimetry reveals the gel strength for using them as the adsorbent. The FTIR-spectrum confirmed the grafting/ crosslinking of the monomer on the backbone of pectin chain. The hydrogels were applied in adsorption of Al, Ga, and In from multielement solution where the adsorption capacity order for those three elements was found as – In>Ga>Al. SEM images of hydrogels and metal adsorbed hydrogels indicate the gel network and adherence of the metal ions in the interpenetrating network of the hydrogel which were supported by EDS spectra. The adsorption isotherm models were studied and found that the Langmuir adsorption isotherm model was well fitted with the data. Adsorption data were also fitted to different adsorption kinetic and diffusion models. Desorption of metal adsorbed hydrogels was performed in 5% nitric acid where desorption efficiency was found around 90%.

Keywords: hydrogel, gamma radiation, vinyl phosphonic acid, metal adsorption

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Authors: Mario Pérez-Won, Anais Palma-Acevedo, Luis González-Cavieres, Roberto Lemus-Mondaca, Gipsy Tabilo-Munizaga

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The Chilean abalone (Concholepas Concholepas) is a gastropod mollusk; it has a high commercial value due to the qualities of its meat, especially hardness, as a critical acceptance parameter. However, its main problem is its short shelf-life which is usually extended using traditional technologies with high energy consumption. Therefore, applying different technologies for the pre-treatment and drying process is necessary. In this research, pulsed electric field (PEF) was used as a pre-treatment for vacuum microwave drying (VMD), freeze-drying (FD), and hot-air drying (HAD). Drying conditions and characteristics were set according to previous experiments. The Drying samples were analyzed in terms of physical quality (color, texture, microstructure, and rehydration capacity), protein quality (degree of hydrolysis and computer protein efficiency ratio), and energy parameters. Regarding quality, the treatment that obtained lower harness was PEF+FD (195 N ± 10), the lowest change of color was for treatment PEF+VMD (ΔE: 17 ± 1.5), and the best rehydration capacity was for treatment PEF+VMD (1.2 h for equilibrium). For protein quality, the highest Computer-Protein Efficiency Ratio was the sample 2.0 kV/ cm of PEF (index of 4.18 ± 0.26 at the end of the digestion). Moreover, about energetic consumption, results show that VMD decreases the drying process by 97% whether PEF was used or not. Consequently, it is possible to conclude that using PEF as a pre-treatment for VMD and FD treatments has advantages that must be used following the consumer’s needs or preferences.

Keywords: chilean abalone, freeze-drying, proteins, pulsed electric fields

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Authors: E. Feulefack Songong, A. Zingoni

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A vibration is a mechanical phenomenon whereby oscillations occur about an equilibrium point. Although vibrations can be linear or nonlinear depending on the basic components of the system, the interest is mostly pointed towards nonlinear vibrations. This is because most structures around us are to some extent nonlinear and also because we need more accurate values in an analysis. The goal of this research is the integration of nonlinearities in the development and validation of structural models and to ameliorate the resistance of structures when subjected to loads. Although there exist many types of nonlinearities, this thesis will mostly focus on the vibration of free and undamped systems incorporating nonlinearity due to stiffness. Nonlinear stiffness has been a concern to many engineers in general and Civil engineers in particular because it is an important factor that can bring a good modification and amelioration to the response of structures when subjected to loads. The analysis of systems will be done analytically and then numerically to validate the analytical results. We will first show the benefit and importance of stiffness nonlinearity when it is implemented in the structure. Secondly, We will show how its integration in the structure can improve not only the structure’s performance but also its response when subjected to loads. The results of this study will be valuable to practicing engineers as well as industry practitioners in developing better designs and tools for their structures and mechanical devices. They will also serve to engineers to design lighter and stronger structures and to give good predictions as for the behavior of structures when subjected to external loads.

Keywords: elastic foundation, nonlinear, plates, stiffness, structures, vibration

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Authors: Amanda Rithieli Pereira Dos Santos, Rute Quelvia De Faria, Álvaro De Oliveira Cardoso, Anderson Rodrigo Da Silva, Érica Leão Fernandes Araújo

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The study of the kinetics of drying has great importance for the mathematical modeling, allowing to know about the processes of transference of heat and mass between the products and to adjust dryers managing new technologies for these processes. The present work had the objective of studying the kinetics of drying of soybean seeds and adjusting different statistical models to the experimental data varying cultivar and temperature. Soybean seeds were pre-dried in a natural environment in order to reduce and homogenize the water content to the level of 14% (b.s.). Then, drying was carried out in a forced air circulation oven at controlled temperatures of 38, 43, 48, 53 and 58 ± 1 ° C, using two soybean cultivars, BRS 8780 and Sambaíba, until reaching a hygroscopic equilibrium. The experimental design was completely randomized in factorial 5 x 2 (temperature x cultivar) with 3 replicates. To the experimental data were adjusted eleven statistical models used to explain the drying process of agricultural products. Regression analysis was performed using the least squares Gauss-Newton algorithm to estimate the parameters. The degree of adjustment was evaluated from the analysis of the coefficient of determination (R²), the adjusted coefficient of determination (R² Aj.) And the standard error (S.E). The models that best represent the drying kinetics of soybean seeds are those of Midilli and Logarítmico.

Keywords: curve of drying seeds, Glycine max L., moisture ratio, statistical models

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Authors: Zeljko Crljen, Predrag Lazic

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Graphene has attracted a tremendous interest in the field of nanoelectronics and spintronics due to its exceptional electronic properties. However, pristine graphene has no band gap, a feature needed in building some of the electronic elements. Recently, a growing attention has been given to a class of carbon allotropes of graphene with honeycomb structures, in particular to graphyne and graphdiyne. They are characterized with a single and double acetylene bonding chains respectively, connecting the nearest-neighbor hexagonal rings. With an electron density comparable to that of graphene and a prominent gap in electronic band structures they appear as promising materials for nanoelectronic components. We studied the electronic structure and transport of infinite sheets of graphyne and graphdiyne and compared them with graphene. The method based on the non-equilibrium Green functions and density functional theory has been used in order to obtain a full ab initio self-consistent description of the transport current with different electrochemical bias potentials. The current/voltage (I/V) characteristics show a semi-conducting behavior with prominent nonlinearities at higher voltages. The calculated band gaps are 0.52V and 0.59V, respectively, and the effective masses are considerably smaller compared to typical semiconductors. We analyzed the results in terms of transmission eigenchannels and showed that the difference in conductance is directly related to the difference of the internal structure of the allotropes.

Keywords: electronic transport, graphene-like structures, nanoelectronics, two-dimensional materials

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Authors: A. A. Vasin, N. V. Klassen, A. M. Likhter

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Water suspensions of in-organic (metals and oxides) and organic nano-objects (chitozan and collagen) were subjected to the treatment of direct and alternative electrical fields. In addition to quasi-periodical spatial patterning resonance-like performance of spatial distributions of these suspensions has been found at low frequencies of alternating electrical field. These resonances are explained as the result of creation of equilibrium states of groups of charged nano-objects with opposite signs of charges at the interparticle distances where the forces of Coulomb attraction are compensated by the repulsion forces induced by relatively negative polarization of hydrated regions surrounding the nanoparticles with respect to pure water. The low frequencies of these resonances are explained by comparatively big distances between the particles and their big masses with t\respect to masses of atoms constituting molecules with high resonance frequencies. These new resonances open a new approach to detailed modeling and understanding of mechanisms of the influence of electrical fields on the functioning of internal organs of living organisms at the level of cells and neurons.

Keywords: bio-polymers, chitosan, collagen, nanoparticles, coulomb attraction, polarization repulsion, periodical patterning, electrical low frequency resonances, transformations

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Authors: Mohammed Ali Hjaji, Magdi Mohareb

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This paper develops the exact solutions for coupled flexural-lateral-torsional static response of thin-walled asymmetric open members subjected to general loading. Using the principle of stationary total potential energy, the governing differential equations of equilibrium are formulated as well as the associated boundary conditions. The formulation is based on a generalized Timoshenko-Vlasov beam theory and accounts for the effects of shear deformation due to bending and warping, and captures the effects of flexural–torsional coupling due to cross-section asymmetry. Closed-form solutions are developed for cantilever and simply supported beams under various forces. In order to demonstrate the validity and the accuracy of this solution, numerical examples are presented and compared with well-established ABAQUS finite element solutions and other numerical results available in the literature. In addition, the results are compared against non-shear deformable beam theories in order to demonstrate the shear deformation effects.

Keywords: asymmetric cross-section, flexural-lateral-torsional response, Vlasov-Timoshenko beam theory, closed form solution

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Authors: Ganesh Meshram, Gloria Biswal

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In this study, we present the numerical investigation of surface wettability on triangular micropillar surfaces by using a two-dimensional (2D) pseudo-potential multiphase lattice Boltzmann method with a D2Q9 model for various interaction parameters of the range varies from -1.40 to -2.50. Initially, simulation of the equilibrium state of a water droplet on a flat surface is considered for various interaction parameters to examine the accuracy of the present numerical model. We then imposed the microscale pillars on the bottom wall of the surface with different heights of the pillars to form the hydrophobic and superhydrophobic surfaces which enable the higher contact angle. The wettability of surfaces is simulated with water droplets of radius 100 lattice units in the domain of 800x800 lattice units. The present study shows that increasing the interaction parameter of the pillared hydrophobic surfaces dramatically reduces the contact area between water droplets and solid walls due to the momentum redirection phenomenon. Contact angles for different values of interaction strength have been validated qualitatively with the analytical results.

Keywords: contact angle, lattice boltzmann method, d2q9 model, pseudo-potential multiphase method, hydrophobic surfaces, wenzel state, cassie-baxter state, wettability

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Authors: Mehdi Montakhabrazlighi, Ercan Balikci

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The neural network (NN) method is applied to alloy development of single crystal Ni-base Superalloys with low density and improved mechanical strength. A set of 1200 dataset which includes chemical composition of the alloys, applied stress and temperature as inputs and density and time to rupture as outputs is used for training and testing the network. Thermodynamic phase diagram modeling of the screened alloys is performed with Thermocalc software to model the equilibrium phases and also microsegregation in solidification processing. The model is first trained by 80% of the data and the 20% rest is used to test it. Comparing the predicted values and the experimental ones showed that a well-trained network is capable of accurately predicting the density and time to rupture strength of the Ni-base superalloys. Modeling results is used to determine the effect of alloying elements, stress, temperature and gamma-prime phase volume fraction on rupture strength of the Ni-base superalloys. This approach is in line with the materials genome initiative and integrated computed materials engineering approaches promoted recently with the aim of reducing the cost and time for development of new alloys for critical aerospace components. This work has been funded by TUBITAK under grant number 112M783.

Keywords: neural network, rupture strength, superalloy, thermocalc

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Authors: Khushboo Bhavsar, Nisha K. Shah, Neha Parekh

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The status of wastewater treatment needs a novel and quick method for treating the wastewater containing ammoniacal nitrogen. Adsorption behavior of ammoniacal nitrogen from wastewater using the nanoparticles loaded coconut coir was investigated in the present work. Manganese Oxide (MnO2) and Zinc Oxide (ZnO) nanoparticles were prepared and used for the further adsorption study. Manganese nanoparticles loaded coconut coir (MNLCC) and Zinc nanoparticles loaded coconut coir (ZNLCC) were prepared via a simple method and was fully characterized. The properties of both MNLCC and ZNLCC were characterized by Scanning electron microscopy, Fourier Transform Infrared Spectroscopy and X-ray diffraction. Adsorption characteristics were studied using batch technique considering various parameters like pH, adsorbent dosage, time, temperature and agitation time. The NH3-N adsorption process for MNLCC and ZNLCC was thoroughly studied from both kinetic and equilibrium isotherm view-points. The results indicated that the adsorption efficiency of ZNLCC was better when compared to MNLCC. The adsorption kinetics at different experimental conditions showed that second order kinetic model best fits ensuring the monovalent binding sites existing in the present experimental system. The outcome of the entire study suggests that the ZNLCC can be a smart option for the treatment of the ammoniacal nitrogen containing wastewater.

Keywords: ammoniacal nitrogen, MnO2, Nanoparticles, ZnO

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Authors: H. Mokaddem, D. Miroud, N. Azouaou, F. Si-Ahmed, Z. Sadaoui

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The synthesis and characterization of activated carbon from local lignocellulosic precursor (Algerian alfa) was carried out for the removal of cationic dyes from aqueous solutions. The effect of the production variables such as impregnation chemical agents, impregnation ratio, activation temperature and activation time were investigated. Carbon obtained using the optimum conditions (CaCl2/ 1:1/ 500°C/2H) was characterized by various analytical techniques scanning electron microscopy (SEM), infrared spectroscopic analysis (FTIR) and zero-point-of-charge (pHpzc). Adsorption tests of methylene blue on the optimal activated carbon were conducted. The effects of contact time, amount of adsorbent, initial dye concentration and pH were studied. The adsorption equilibrium examined using Langmuir, Freundlich, Temkin and Redlich–Peterson models reveals that the Langmuir model is most appropriate to describe the adsorption process. The kinetics of MB sorption onto activated carbon follows the pseudo-second order rate expression. The examination of the thermodynamic analysis indicates that the adsorption process is spontaneous (ΔG ° < 0) and endothermic (ΔH ° > 0), the positive value of the standard entropy shows the affinity between the activated carbon and the dye. The present study showed that the produced optimal activated carbon prepared from Algerian alfa is an effective low-cost adsorbent and can be employed as alternative to commercial activated carbon for removal of MB dye from aqueous solution.

Keywords: activated carbon, adsorption, cationic dyes, Algerian alfa

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Authors: Mohammadreza Akbari, Pooya Soleimani Besheli, Reza khalili, Sara Akbari, Davood Domiri Ganji

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In this symposium, our aims are accuracy, capabilities and power at solving of the complicate non-linear differential at the reaction chemical in the catalyst reactor (heterogeneous reaction). Our purpose is to enhance the ability of solving the mentioned nonlinear differential equations at chemical engineering and similar issues with a simple and innovative approach which entitled ‘’Akbari-Ganji's Method’’ or ‘’AGM’’. In this paper we solve many examples of nonlinear differential equations of chemical reactions and its investigate. The chemical reactor with the energy changing (non-isotherm) in two reactors of mixed and plug are separately studied and the nonlinear differential equations obtained from the reaction behavior in these systems are solved by a new method. Practically, the reactions with the energy changing (heat or cold) have an important effect on designing and function of the reactors. This means that possibility of reaching the optimal conditions of operation for the maximum conversion depending on nonlinear nature of the reaction velocity toward temperature, results in the complexity of the operation in the reactor. In this case, the differential equation set which governs the reactors can be obtained simultaneous solution of mass equilibrium and energy and temperature changing at concentration.

Keywords: new method (AGM), nonlinear differential equation, tubular and mixed reactors, catalyst bed

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Authors: Carlo Gozzelino

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Since the early 2000s, the phenomenon of the two-sided markets has been of growing interest in academic literature as such kind of markets differs by having cross-side network effects and same-side network effects characterizing the transactions, which make the analysis different when compared to traditional seller-buyer concept. Due to such externalities, pricing strategies can be based on subsidizing the participation of one side (i.e. considered key for the platform to attract the other side) while recovering the loss on the other side. In recent years, several players of the Italian financial intermediation industry moved from an integrated landscape (i.e. selling their own products) to an open one (i.e. intermediating third party products). According to academic literature such behavior can be interpreted as a merchant move towards a platform, operating in a two-sided market environment. While several application of two-sided market framework are available in academic literature, purpose of this paper is to use a two-sided market concept to suggest a new framework applied to financial intermediation. To this extent, a model is developed to show how competitors behave when vertically integrated and how the peculiarities of a two-sided market act as an incentive to disintegrate. Additionally, we show that when all players act as a platform, the dynamics of a two-sided markets can allow at least a Nash equilibrium to exist, in which platform of different sizes enjoy positive profit. Finally, empirical evidences from Italian market are given to sustain – and to challenge – this interpretation.

Keywords: financial intermediation, network externalities, two-sided markets, vertical differentiation

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Authors: Aicha Bouhlala, Sabah Chettibi

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A systematic investigation on structural, electronic, and magnetic properties of Ce₀.₇₅A₀.₂₅O₂ (A = W, Mo) is performed using first-principles calculations within the framework Full-Potential Linear Augmented Plane Wave (FP-LAPW) method based on the Density Functional Theory (DFT). The exchange-correlation potential has been treated using the generalized gradient approximation (WC-GGA) developed by Wu-Cohen. The host compound CeO2 was doped with transition metal atoms W and Mo in the doping concentration of 25% to replace the Ce atom. In structural properties, the equilibrium lattice constant is observed for the W-doped CeO₂ compound which exists within the value of 5.314 A° and the value of 5.317 A° for Mo-doped CeO2. The present results show that Ce₀.₇₅A₀.₂₅O₂ (A=W, Mo) systems exhibit semiconducting behavior in both spin channels. Although undoped CeO₂ is a non-magnetic semiconductor. The band structure of these doped compounds was plotted and they exhibit direct band gap at the Fermi level (EF) in the majority and minority spin channels. In the magnetic properties, the doped atoms W and Mo play a vital role in increasing the magnetic moments of the supercell and the values of the total magnetic moment are found to be 1.998 μB for Ce₀.₇₅W₀.₂₅O₂ and to be 2.002 μB for Ce₀.₇₅Mo₀.₂₅O₂ compounds. Calculated results indicate that the magneto-electronic properties of the Ce₁₋ₓAₓO₂(A= W, Mo) oxides supply a new way to the experimentalist for the potential applications in spintronics devices.

Keywords: FP-LAPW, DFT, CeO₂, properties

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Authors: V. Khosravi, F. D. Ardejani, A. Aryafar, M. Sedighi

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Heavy metals have a damaging impact for the environment, animals and humans due to their extreme toxicity and removing them from wastewaters is a very important and interesting task in the field of water pollution control. Biosorption is a relatively new method for treatment of wastewaters and recovery of heavy metals. In this study, a continuous fixed bed study was carried out by using Bacillus thuringiensis as a biosorbent for the removal of Cu and Mn ions from Sarcheshmeh Acid Mine Drainage (AMD). The effect of operating parameters such as flow rate and bed height on the sorption characteristics of B. thuringiensis was investigated at pH 6.0 for each metal ion. The experimental results showed that the breakthrough time decreased with increasing flow rate and decreasing bed height. The data also indicated that the equilibrium uptake of both metals increased with decreasing flow rate and increasing bed height. BDST, Thomas, and Yoon–Nelson models were applied to experimental data to predict the breakthrough curves. All models were found suitable for describing the whole dynamic behavior of the column with respect to flow rate and bed height. In order to regenerate the adsorbent, an elution step was carried out with 1 M HCl and five adsorption-desorption cycles were carried out in continuous manner.

Keywords: acid mine drainage, bacillus thuringiensis, biosorption, cu and mn ions, fixed bed

Procedia PDF Downloads 398