Search results for: disease-free equilibrium
807 Pressure-Controlled Dynamic Equations of the PFC Model: A Mathematical Formulation
Authors: Jatupon Em-Udom, Nirand Pisutha-Arnond
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The phase-field-crystal, PFC, approach is a density-functional-type material model with an atomic resolution on a diffusive timescale. Spatially, the model incorporates periodic nature of crystal lattices and can naturally exhibit elasticity, plasticity and crystal defects such as grain boundaries and dislocations. Temporally, the model operates on a diffusive timescale which bypasses the need to resolve prohibitively small atomic-vibration time steps. The PFC model has been used to study many material phenomena such as grain growth, elastic and plastic deformations and solid-solid phase transformations. In this study, the pressure-controlled dynamic equation for the PFC model was developed to simulate a single-component system under externally applied pressure; these coupled equations are important for studies of deformable systems such as those under constant pressure. The formulation is based on the non-equilibrium thermodynamics and the thermodynamics of crystalline solids. To obtain the equations, the entropy variation around the equilibrium point was derived. Then the resulting driving forces and flux around the equilibrium were obtained and rewritten as conventional thermodynamic quantities. These dynamics equations are different from the recently-proposed equations; the equations in this study should provide more rigorous descriptions of the system dynamics under externally applied pressure.Keywords: driving forces and flux, evolution equation, non equilibrium thermodynamics, Onsager’s reciprocal relation, phase field crystal model, thermodynamics of single-component solid
Procedia PDF Downloads 299806 A Study of Indoor Radon, Thoron, Their Progeny Concentration Levels and Inhalation Dose in Dwellings of Different Districts of Punjab State, India
Authors: Komal Saini, B. K. Sahoo, B.S. Bajwa
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In the present study, indoor radon and thoron concentrations have been estimated using newly developed twin cup based pin hole dosimeter with single entry face in some areas of Punjab state, India. The equilibrium equivalent concentration (EEC) of radon and thoron has also been estimated directly by using progeny sensors, fabricated by BARC, India. Observed radon and thoron concentrations varied from 38.7±5.79 to 98.7±13.11 Bq/m3 and 25.38±6.56 to 126.56±14.23 Bq/m3 with an average value of 61.59±8.11 & 70.89±9.52 Bq/m3 respectively. Average equilibrium equivalent concentration of radon and thoron was 27.98±4.66 & 2.24±0.61 Bq/m3. Calculated equilibrium factor for radon and thoron was 0.467 and 0.034 in the present study. Annual inhalation dose calculated from the present observed concentrations, varied from 1.80 to 3.60 mSv/year with an average value of 2.52 mSv/year, which is well within reference level. It has been observed from the present study that thoron is a significant contributor to the inhalation dose which is about 25% of the total inhalation dose.Keywords: radon, thoron, pin hole cup dosimeter, DTPS/DRPS, annual inhalation dose
Procedia PDF Downloads 244805 Stability Analysis of Endemic State of Modelling the Effect of Vaccination and Novel Quarantine-Adjusted Incidence on the Spread of Newcastle Disease Virus
Authors: Nurudeen Oluwasola Lasisi, Abdulkareem Afolabi Ibrahim
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Newcastle disease is an infection of domestic poultry and other bird species with virulent Newcastle disease virus (NDV). In this paper, we study the dynamics of modeling the Newcastle disease virus (NDV) using a novel quarantine-adjusted incidence. We do a comparison of Vaccination, linear incident rate, and novel quarantine adjusted incident rate in the models. The dynamics of the models yield disease free and endemic equilibrium states. The effective reproduction numbers of the models are computed in order to measure the relative impact for the individual bird or combined intervention for effective disease control. We showed the local and global stability of endemic equilibrium states of the models, and we found that stability of endemic equilibrium states of models are globally asymptotically stable if the effective reproduction numbers of the models equations are greater than a unit.Keywords: effective reproduction number, endemic state, mathematical model, Newcastle disease virus, novel quarantine-adjusted incidence, stability analysis
Procedia PDF Downloads 238804 A Predator-Prey System with Singularity at the Origin
Authors: Nabil Beroual, Tewfik Sari
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We consider the Gause-type predator-prey system in the case where the response function is not smooth at the origin. We discuss the conditions under which this system has exactly one stable limit cycle or has a positive stable equilibrium point, and we describe the basin of attraction of the stable limit cycle and the stable equilibrium point, respectively. Our results correct previous results of the existing literature.Keywords: predator-prey model, response function, singularity, basin of attraction, limit cycle
Procedia PDF Downloads 172803 Adsorption of Methyl Violet Dye from Aqueous Solution onto Modified Kapok Sawdust : Characteristics and Equilibrium Studies
Authors: Widi Astuti, Triastuti Sulistyaningsih, Masni Maksiola
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Kapok sawdust, an inexpensive material, has been utilized as an adsorbent for the removal of methyl violet in aqueous solution. To increase the adsorption capacity, kapok sawdust was reacted with sodium hydroxide (NaOH) solution having various concentrations. Various physico-chemical parameters such as solution pH, contact time and initial dye concentration were studied. Langmuir, Freundlich and Redlich-Peterson isotherm model were used to analyze the equilibrium data. The research shows that the experimental data fitted well with the Redlich-Peterson model, with the value of constants are 41.001 for KR, 0.523 for aR and 0.799 for g.Keywords: kapok sawdust, methyl violet, dye, adsorption
Procedia PDF Downloads 306802 Economic Analysis of Endogenous Growth Model with ICT Capital
Authors: Shoji Katagiri, Hugang Han
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This paper clarifies the role of ICT capital in Economic Growth. Albeit ICT remarkably contributes to economic growth, there are few studies on ICT capital in ICT sector from theoretical point of view. In this paper, production function of ICT which is used as input of intermediate good in final good and ICT sectors is incorporated into our model. In this setting, we analyze the role of ICT on balance growth path and show the possibility of general equilibrium solutions for this model. Through the simulation of the equilibrium solutions, we find that when ICT impacts on economy and economic growth increases, it is necessary that increases of efficiency at ICT sector and of accumulation of non-ICT and ICT capitals occur simultaneously.Keywords: endogenous economic growth, ICT, intensity, capital accumulation
Procedia PDF Downloads 447801 Dynamics of a Susceptible-Infected-Recovered Model along with Time Delay, Modulated Incidence, and Nonlinear Treatment
Authors: Abhishek Kumar, Nilam
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As we know that, time delay exists almost in every biological phenomenon. Therefore, in the present study, we propose a susceptible–infected–recovered (SIR) epidemic model along with time delay, modulated incidence rate of infection, and Holling Type II nonlinear treatment rate. The present model aims to provide a strategy to control the spread of epidemics. In the mathematical study of the model, it has been shown that the model has two equilibriums which are named as disease-free equilibrium (DFE) and endemic equilibrium (EE). Further, stability analysis of the model is discussed. To prove the stability of the model at DFE, we derived basic reproduction number, denoted by (R₀). With the help of basic reproduction number (R₀), we showed that the model is locally asymptotically stable at DFE when the basic reproduction number (R₀) less than unity and unstable when the basic reproduction number (R₀) is greater than unity. Furthermore, stability analysis of the model at endemic equilibrium has also been discussed. Finally, numerical simulations have been done using MATLAB 2012b to exemplify the theoretical results.Keywords: time delayed SIR epidemic model, modulated incidence rate, Holling type II nonlinear treatment rate, stability
Procedia PDF Downloads 147800 Salting Effect in Partially Miscible Systems of Water/Acétic Acid/1-Butanol at 298.15k: Experimental Study and Estimation of New Solvent-Solvent and Salt-Solvent Binary Interaction Parameters for NRTL Model
Authors: N. Bourayou, A. -H. Meniai, A. Gouaoura
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The presence of salt can either raise or lower the distribution coefficient of a solute acetic acid in liquid- liquid equilibria. The coefficient of solute is defined as the ratio of the composition of solute in solvent rich phase to the composition of solute in diluents (water) rich phase. The phenomena are known as salting–out or salting-in, respectively. The effect of monovalent salt, sodium chloride and the bivalent salt, sodium sulfate on the distribution of acetic acid between 1-butanol and water at 298.15K were experimentally shown to be effective in modifying the liquid-liquid equilibrium of water/acetic acid/1-butanol system in favour of the solvent extraction of acetic acid from an aqueous solution with 1-butanol, particularly at high salt concentrations of both salts. All the two salts studied are found to have to salt out effect for acetic acid in varying degrees. The experimentally measured data were well correlated by Eisen-Joffe equation. NRTL model for solvent mixtures containing salts was able to provide good correlation of the present liquid-liquid equilibrium data. Using the regressed salt concentration coefficients for the salt-solvent interaction parameters and the solvent-solvent interaction parameters obtained from the same system without salt. The calculated phase equilibrium was in a quite good agreement with the experimental data, showing the ability of NRTL model to correlate salt effect on the liquid-liquid equilibrium.Keywords: activity coefficient, Eisen-Joffe, NRTL model, sodium chloride
Procedia PDF Downloads 273799 Effect of Sodium Chloride in the Recovery of Acetic Acid from Aqueous Solutions
Authors: Aidaoui Ahleme, Hasseine Abdelmalek
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Acetic acid is one of the simplest and most widely used carboxylic acids having many important chemical and industrial applications. Total worldwide production of acetic acid is about 6.5 million tonnes per year. A great deal of efforts has been made in developing feasible and economic method for recovery of carboxylic acids. Among them, Liquid-liquid extraction using aqueous two-phase systems (ATPS) has been demonstrated to be a highly efficient separation technique. The study of efficiently separating and recovering Acetic acid from aqueous solutions is an important significance on industry and environmentally sustainable development. Many research groups in different countries are working in this field and some methods are proposed in the literature. In this work, effect of sodium chloride with different content (5%, 10% and 20%) on the liquid-liquid equilibrium data of (water+ acetic acid+ DCM) system is investigated. The addition of the salt in an aqueous solution introduces ionic forces which affect liquid-liquid equilibrium and which influence directly the distribution coefficient of the solute. From the experimental results, it can be concluded that when the percentage of salt increases in the aqueous solution, the equilibrium between phases is modified in favor of the extracted phase.Keywords: acetic acid recovery, aqueous solution, salting-effect, sodium chloride
Procedia PDF Downloads 266798 Unsteady Natural Convection in a Square Cavity Partially Filled with Porous Media Using a Thermal Non-Equilibrium Model
Authors: Ammar Alsabery, Habibis Saleh, Norazam Arbin, Ishak Hashim
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Unsteady natural convection and heat transfer in a square cavity partially filled with porous media using a thermal non-equilibrium model is studied in this paper. The left vertical wall is maintained at a constant hot temperature and the right vertical wall is maintained at a constant cold temperature, while the horizontal walls are adiabatic. The governing equations are obtained by applying the Darcy model and Boussinesq approximation. COMSOL's finite element method is used to solve the non-dimensional governing equations together with specified boundary conditions. The governing parameters of this study are the Rayleigh number, the modified thermal conductivity ratio, the inter-phase heat transfer coefficien and the time independent. The results presented for values of the governing parameters in terms of streamlines in both fluid/porous layer, isotherms of fluid and solid porous layer, isotherms of fluid layer, and average Nusselt number.Keywords: unsteady natural convection, thermal non-equilibrium model, Darcy model
Procedia PDF Downloads 372797 Effect of Y Addition on the Microstructure and Mechanical Properties of Sn-Zn Eutectic Alloy
Authors: Jung-Ho Moon, Tae Kwon Ha
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The effect of Yttrium addition on the microstructure and mechanical properties of Sn-Zn eutectic alloy, which has been attracting intensive focus as a Pb-free solder material, was investigated in this study. Phase equilibrium has been calculated by using FactSage® to evaluate the composition and fraction of equilibrium intermetallic compounds and construct a phase diagram. In the case of Sn-8.8 Zn eutectic alloy, the as-cast microstructure was typical lamellar. With addition of 0.25 wt. %Y, a large amount of pro-eutectic phases have been observed and various YZnx intermetallic compounds were expected to successively form during cooling. Hardness of Sn-8.8 Zn alloy was not affected by Y-addition and both alloys could be rolled by 90% at room temperature.Keywords: Sn-Zn eutectic alloy, yttrium, FactSage®, microstructure, mechanical properties
Procedia PDF Downloads 461796 Enhancement of Capacity in a MC-CDMA based Cognitive Radio Network Using Non-Cooperative Game Model
Authors: Kalyani Kulkarni, Bharat Chaudhari
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This paper addresses the issue of resource allocation in the emerging cognitive technology. Focusing the quality of service (QoS) of primary users (PU), a novel method is proposed for the resource allocation of secondary users (SU). In this paper, we propose the unique utility function in the game theoretic model of Cognitive Radio which can be maximized to increase the capacity of the cognitive radio network (CRN) and to minimize the interference scenario. The utility function is formulated to cater the need of PUs by observing Signal to Noise ratio. The existence of Nash equilibrium is for the postulated game is established.Keywords: cognitive networks, game theory, Nash equilibrium, resource allocation
Procedia PDF Downloads 468795 Adsorption of Paracetamol Using Activated Carbon of Dende and Babassu Coconut Mesocarp
Authors: R. C. Ferreira, H. H. C. De Lima, A. A. Cândido, O. M. Couto Junior, P. A. Arroyo, K. Q De Carvalho, G. F. Gauze, M. A. S. D. Barros
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Removal of the widespread used drug paracetamol from water was investigated using activated carbon originated from dende coconut mesocarp and babassu coconut mesocarp. Kinetic and equilibrium data were obtained at different values of pH. Babassu activated carbon showed higher efficiency due to its acidity and higher microporosity. Pseudo-second order model was better adjusted to the kinetic results. Equilibrium data may be represented by Langmuir equation. Lower solution pH provided better removal efficiency as the carbonil groups may be attracted by the positively charged carbon surface.Keywords: adsorption, activated carbon, babassu, dende
Procedia PDF Downloads 365794 Multiphase Coexistence for Aqueous System with Hydrophilic Agent
Authors: G. B. Hong
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Liquid-Liquid Equilibrium (LLE) data are measured for the ternary mixtures of water + 1-butanol + butyl acetate and quaternary mixtures of water + 1-butanol + butyl acetate + glycerol at atmospheric pressure at 313.15 K. In addition, isothermal Vapor–Liquid–Liquid Equilibrium (VLLE) data are determined experimentally at 333.15 K. The region of heterogeneity is found to increase as the hydrophilic agent (glycerol) is introduced into the aqueous mixtures. The experimental data are correlated with the NRTL model. The predicted results from the solution model with the model parameters determined from the constituent binaries are also compared with the experimental values.Keywords: LLE, VLLE, hydrophilic agent, NRTL
Procedia PDF Downloads 238793 The Role of ICT for Income Inequality: The Model and the Simulations
Authors: Shoji Katagiri
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This paper is to clarify the relationship between ICT and income inequality. To do so, we develop the general equilibrium model with ICT investment, obtain the equilibrium solutions, and then simulate the model with these solutions for some OECD countries. As a result, generally, during the corresponding periods we confirm that the relationship between ICT investment and income inequality is positive. In this mode, the increment of the ratio of ICT investment to the aggregated investment in stock enhances the capital’s share of income, and finally leads to income inequality such as the increase of the share of the top decile income. Although we confirm the positive relationship between ICT investment and income inequality, the upward trend for that relationship depends on the values of parameters for the making use of the simulations and these parameters are not deterministic in the magnitudes on the calculated results for the simulations.Keywords: ICT, inequality, capital accumulation, technology
Procedia PDF Downloads 217792 Electromagnetically-Vibrated Solid-Phase Microextraction for Organic Compounds
Authors: Soo Hyung Park, Seong Beom Kim, Wontae Lee, Jin Chul Joo, Jungmin Lee, Jongsoo Choi
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A newly-developed electromagnetically vibrated solid-phase microextraction (SPME) device for extracting nonpolar organic compounds from aqueous matrices was evaluated in terms of sorption equilibrium time, precision, and detection level relative to three other more conventional extraction techniques involving SPME, viz., static, magnetic stirring, and fiber insertion/retraction. Electromagnetic vibration at 300~420 cycles/s was found to be the most efficient extraction technique in terms of reducing sorption equilibrium time and enhancing both precision and linearity. The increased efficiency for electromagnetic vibration was attributed to a greater reduction in the thickness of the stagnant-water layer that facilitated more rapid mass transport from the aqueous matrix to the SPME fiber. Electromagnetic vibration less than 500 cycles/s also did not detrimentally impact the sustainability of the extracting performance of the SPME fiber. Therefore, electromagnetically vibrated SPME may be a more powerful tool for rapid sampling and solvent-free sample preparation relative to other more conventional extraction techniques used with SPME.Keywords: electromagnetic vibration, organic compounds, precision, solid-phase microextraction (SPME), sorption equilibrium time
Procedia PDF Downloads 251791 Some Basic Problems for the Elastic Material with Voids in the Case of Approximation N=1 of Vekua's Theory
Authors: Bakur Gulua
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In this work, we consider some boundary value problems for the plate. The plate is the elastic material with voids. The state of plate equilibrium is described by the system of differential equations that is derived from three-dimensional equations of equilibrium of an elastic material with voids (Cowin-Nunziato model) by Vekua's reduction method. Its general solution is represented by means of analytic functions of a complex variable and solutions of Helmholtz equations. The problem is solved analytically by the method of the theory of functions of a complex variable.Keywords: the elastic material with voids, boundary value problems, Vekua's reduction method, a complex variable
Procedia PDF Downloads 119790 Research on Morning Commuting Behavior under Autonomous Vehicle Environment Based on Activity Method
Authors: Qing Dai, Zhengkui Lin, Jiajia Zhang, Yi Qu
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Based on activity method, this paper focuses on morning commuting behavior when commuters travel with autonomous vehicles (AVs). Firstly, a net utility function of commuters is constructed by the activity utility of commuters at home, in car and at workplace, and the disutility of travel time cost and that of schedule delay cost. Then, this net utility function is applied to build an equilibrium model. Finally, under the assumption of constant marginal activity utility, the properties of equilibrium are analyzed. The results show that, in autonomous driving, the starting and ending time of morning peak and the number of commuters who arrive early and late at workplace are the same as those in manual driving. In automatic driving, however, the departure rate of arriving early at workplace is higher than that of manual driving, while the departure rate of arriving late is just the opposite. In addition, compared with manual driving, the departure time of arriving at workplace on time is earlier and the number of people queuing at the bottleneck is larger in automatic driving. However, the net utility of commuters and the total net utility of system in automatic driving are greater than those in manual driving.Keywords: autonomous cars, bottleneck model, activity utility, user equilibrium
Procedia PDF Downloads 104789 The Effect of the Side-Weir Crest Height to Scour in Clay-Sand Mixed Sediments
Authors: F. A. Saracoglu Varol, H. Agaccıoglu
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Experimental studies to investigate the depth of the scour conducted at a side-weir intersection located at the 1800 curved flume which located Hydraulic Laboratory of Yıldız Technical University, Istanbul, Turkey. Side weirs were located at the middle of the straight part of the main channel. Three different lengths (25, 40 and 50 cm) and three different weir crest height (7, 10 and 12 cm) of the side weir placed on the side weir station. There is no scour when the material is only kaolin. Therefore, the cohesive bed was prepared by properly mixing clay material (kaolin) with 31% sand in all experiments. Following 24h consolidation time, in order to observe the effect of flow intensity on the scour depth, experiments were carried out for five different upstream Froude numbers in the range of 0.33-0.81. As a result of this study the relation between scour depth and upstream flow intensity as a function of time have been established. The longitudinal velocities decreased along the side weir; towards the downstream due to overflow over the side-weirs. At the beginning, the scour depth increases rapidly with time and then asymptotically approached constant values in all experiments for all side weir dimensions as in non-cohesive sediment. Thus, the scour depth reached equilibrium conditions. Time to equilibrium depends on the approach flow intensity and the dimensions of side weirs. For different heights of the weir crest, dimensionless scour depths increased with increasing upstream Froude number. Equilibrium scour depths which formed 7 cm side-weir crest height were obtained higher than that of the 12 cm side-weir crest height. This means when side-weir crest height increased equilibrium scour depths decreased. Although the upstream side of the scour hole is almost vertical, the downstream side of the hole is inclined.Keywords: clay-sand mixed sediments, scour, side weir, hydraulic structures
Procedia PDF Downloads 301788 Strong Convergence of an Iterative Sequence in Real Banach Spaces with Kadec Klee Property
Authors: Umar Yusuf Batsari
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Let E be a uniformly smooth and uniformly convex real Banach space and C be a nonempty, closed and convex subset of E. Let $V= \{S_i : C\to C, ~i=1, 2, 3\cdots N\}$ be a convex set of relatively nonexpansive mappings containing identity. In this paper, an iterative sequence obtained from CQ algorithm was shown to have strongly converge to a point $\hat{x}$ which is a common fixed point of relatively nonexpansive mappings in V and also solve the system of equilibrium problems in E. The result improve some existing results in the literature.Keywords: relatively nonexpansive mappings, strong convergence, equilibrium problems, uniformly smooth space, uniformly convex space, convex set, kadec klee property
Procedia PDF Downloads 415787 Polymerization: An Alternative Technology for Heavy Metal Removal
Authors: M. S. Mahmoud
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In this paper, the adsorption performance of a novel environmental friendly material, calcium alginate gel beads as a non-conventional technique for the successful removal of copper ions from aqueous solution are reported on. Batch equilibrium studies were carried out to evaluate the adsorption capacity and process parameters such as pH, adsorbent dosages, initial metal ion concentrations, stirring rates and contact times. It was observed that the optimum pH for maximum copper ions adsorption was at pH 5.0. For all contact times, an increase in copper ions concentration resulted in decrease in the percent of copper ions removal. Langmuir and Freundlich's isothermal models were used to describe the experimental adsorption. Adsorbent was characterization using Fourier transform-infrared (FT-IR) spectroscopy and Transmission electron microscopy (TEM).Keywords: adsorption, alginate polymer, isothermal models, equilibrium
Procedia PDF Downloads 444786 The Optimal Public Debt Ceiling in Taiwan: A Simulation Approach
Authors: Ho Yuan-Hong, Huang Chiung-Ju
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This study conducts simulation analyses to find the optimal debt ceiling of Taiwan, while factoring in welfare maximization under a dynamic stochastic general equilibrium framework. The simulation is based on Taiwan's 2001 to 2011 economic data and shows that welfare is maximized at a "debt"⁄"GDP" ratio of 0.2, increases in the "debt"⁄"GDP " ratio leads to increases in both tax and interest rates and decreases in the consumption ratio and working hours. The study results indicate that the optimal debt ceiling of Taiwan is 20% of GDP, where if the "debt"⁄"GDP" ratio is greater than 40%, the welfare will be negative and result in welfare loss.Keywords: debt sustainability, optimal debt ceiling, dynamic stochastic general equilibrium, welfare maximization
Procedia PDF Downloads 348785 Cyclic Evolution of a Two Fluid Diffusive Universe
Authors: Subhayan Maity
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Complete scenario of cosmic evolution from emergent phase to late time acceleration (i.e. non-singular ever expanding Universe) is a popular preference in the recent cosmology. Yet one can’t exclude the idea that other type of evolution pattern of the Universe may also be possible. Especially, the bouncing scenario is becoming a matter of interest now a days. The present work is an exhibition of such a different pattern of cosmic evolution where the evolution of Universe has been shown as a cyclic thermodynamic process. Under diffusion mechanism (non-equilibrium thermodynamic process), the cosmic evolution has been modelled as [ emergent - accelerated expansion - decelerated expansion - decelerated contraction - accelerated contraction - emergent] .Keywords: non-equilibrium thermodynamics, non singular evolution of universe, cyclic evolution, diffusive fluid
Procedia PDF Downloads 132784 Study of Stability of a Slope by the Soil Nailed Technique
Authors: Abdelhak Soudani
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Using the limit equilibrium method in geotechnical field is very important for large projects. This work contributes to the understanding and analysis of the building unstable slopes by the technique of soil nailed with the used of software called GEO-SLOPE calculation based on limit equilibrium method. To achieve our objective, we began a review of the literature on landslides, and techniques of slope stability. Then, we presented a real case slope likely to slip through the realization of the EastWest Highway (M5 stretch between Khemis Miliana and Hoceinia). We also process the application of reinforcement technique nailed soil. The analysis is followed by a parametric study, which shows the impact of parameters given or chosen on various outcomes. Another method of reinforcement (use of micro-piles) has been suggested for improving the stability of the slopeKeywords: slope stability, strengthening, slip, soil nail, GEO-SLOPE
Procedia PDF Downloads 454783 Keto-Enol Tautomerism of Salicylideneaniline Substituted
Authors: Rihana Hadjeb, Djamel Barkat
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Schiff bases derived from o-hydroxybenzaldehyde has attracted a great interest not only for its promising applications towards linear and non-linear optical properties, biological activity and technological applications but also used as model compounds for the theory of hydrogen bonding. Due to its intramolecular hydrogen bonding, depending on the position of proton in the hydrogen bond o-hydroxy salicylidene Schiff bases exhibit two tautomeric forms, enol-imine (E-form) and keto-enamine (K-form) both in solution and in crystalline state. A zwitterionic structure also appears due to a proton transfer in enol – imine and keto – amine tautomer. These classes of compounds also exhibit thermochromic and photochromic behavior. We undertook in this study the synthesis of ten compounds of hydroxy Schiff bases from the condensation of salicylic aldehyde and aniline substituted in the ortho, meta and para by the methyl, chloro and nitro groups. To study the keto-enol equilibrium of the compounds; UV-VIS spectra were studied in different polarity solvents. The compounds were in tautomeric equilibrium (enol imine O–H•••N, keto-amine O•••H–N forms). For some derivatives of salicylideneanilines the keto-amine form was observed in both ethanol and dioxane. IR results showed that all Schiff bases studied favor the enol-imine form over the keto form.Keywords: salicylideneaniline, tautomerism, keto-enol equilibrium, UV-VIS spectroscopy, solvent effect
Procedia PDF Downloads 384782 Methyl Red Dye Adsorption On PMMA/GO and PMMA/GO-Fe3O4 Nanocomposites: Equilibrium Isotherm Studies
Authors: Mostafa Rajabi, Kazem Mahanpoor
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Performances of the methyl red (MR) dye adsorption on poly(methyl methacrylate)/graphene oxide (PMMA/GO) and poly(methyl methacrylate)/graphene oxide-Fe3O4 (PMMA/GO-Fe3O4) nanocomposites as adsorbents were investigated. Our results showed that for adsorption of MR dye on PMMA/GO-Fe3O4 and PMMA/GO nanocomposites, 80 minutes, 298 K, and pH 2 were the best contact time, temperature and pH value for process, respectively, because the optimum adsorption of the MR dye with both nanocomposite adsorbents were observed in these values of the parameters. The equilibrium study results showed that PMMA/GO-Fe3O4 and PMMA/GO were suitable adsorbents for MR dye removing and were best in agreement with the Langmuir isotherm model.Keywords: adsorption, isotherm, methyl methacrylate, methyl red, nanocomposite, nano magnetic Fe3O4
Procedia PDF Downloads 176781 Experimental Assessment of Artificial Flavors Production
Authors: M. Unis, S. Turky, A. Elalem, A. Meshrghi
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The Esterification kinetics of acetic acid with isopropnol in the presence of sulfuric acid as a homogenous catalyst was studied with isothermal batch experiments at 60,70 and 80°C and at a different molar ratio of isopropnol to acetic acid. Investigation of kinetics of the reaction indicated that the low of molar ratio is favored for esterification reaction, this is due to the reaction is catalyzed by acid. The maximum conversion, approximately 60.6% was obtained at 80°C for molar ratio of 1:3 acid : alcohol. It was found that increasing temperature of the reaction, increases the rate constant and conversion at a certain mole ratio, that is due to the esterification is exothermic. The homogenous reaction has been described with simple power-law model. The chemical equilibrium combustion calculated from the kinetic model in agreement with the measured chemical equilibrium.Keywords: artificial flavors, esterification, chemical equilibria, isothermal
Procedia PDF Downloads 326780 Preparation and Characterization of AlkylAmines’ Surface Functionalized Activated Carbons for Dye Removal
Authors: Said M. AL-Mashaikhi, El-Said I. El-Shafey, Fakhreldin O. Suliman, Saleh Al-Busafi
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Activated carbon (AC) was prepared from date palm leaflets via NaOH activation. AC was oxidized using nitric acid, producing oxidized activated carbon (OAC). OAC was surface functionalized using different amine surfactants, including methylamine (ONM), ethylamine (ONE), and diethylamine (ONDE) using the amide coupling process. Produced carbons were surface characterized for surface area and porosity, X-ray diffraction, SEM, FTIR, and TGA. AC surface area (580 m²/g) has shown a decrease in oxidation to 260 m²/g for OAC. On amine functionalization, the surface area has further decreased to 218, 108, and 20 m²/g on functionalization with methylamine, ethylamine, and diethylamine, respectively. FTIR and TGA showed that the nature of amine functionalization of AC is chemical. Methylene blue sorption was tested on these carbons in terms of kinetics and equilibrium. Sorption was found faster on amine-functionalized carbons than both AC and OAC, and this is due to hydrophobic interaction with the alkyl groups immobilized with data following pseudo second-order reaction. On the other hand, AC showed the slowest adsorption kinetic process due to the diffusion in the porous structure of AC. Sorption equilibrium data was found to follow the Langmuir sorption isotherm with maximum sorption found on ONE. Regardless of its lower surface area than activated carbon, ethylamine functionalized AC showed better performance than AC in terms of kinetics and equilibrium for dye removal.Keywords: activated carbon, dye removal, functionalization, hydrophobic interaction, water treatment
Procedia PDF Downloads 157779 Experimental Quantification and Modeling of Dissolved Gas during Hydrate Crystallization: CO₂ Hydrate Case
Authors: Amokrane Boufares, Elise Provost, Veronique Osswald, Pascal Clain, Anthony Delahaye, Laurence Fournaison, Didier Dalmazzone
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Gas hydrates have long been considered as problematic for flow assurance in natural gas and oil transportation. On the other hand, they are now seen as future promising materials for various applications (i.e. desalination of seawater, natural gas and hydrogen storage, gas sequestration, gas combustion separation and cold storage and transport). Nonetheless, a better understanding of the crystallization mechanism of gas hydrate and of their formation kinetics is still needed for a better comprehension and control of the process. To that purpose, measuring the real-time evolution of the dissolved gas concentration in the aqueous phase during hydrate formation is required. In this work, CO₂ hydrates were formed in a stirred reactor equipped with an Attenuated Total Reflection (ATR) probe coupled to a Fourier Transform InfraRed (FTIR) spectroscopy analyzer. A method was first developed to continuously measure in-situ the CO₂ concentration in the liquid phase during solubilization, supersaturation, hydrate crystallization and dissociation steps. Thereafter, the measured concentration data were compared with those of equilibrium concentrations. It was observed that the equilibrium is instantly reached in the liquid phase due to the fast consumption of dissolved gas by the hydrate crystallization. Consequently, it was shown that hydrate crystallization kinetics is limited by the gas transfer at the gas-liquid interface. Finally, we noticed that the liquid-hydrate equilibrium during the hydrate crystallization is governed by the temperature of the experiment under the tested conditions.Keywords: gas hydrate, dissolved gas, crystallization, infrared spectroscopy
Procedia PDF Downloads 274778 Adsorption of Congo Red on MgO Nanoparticles Prepared by Molten Salt Method
Authors: Shahbaa F. Bdewi, Bakhtyar K. Aziz, Ayad A. R. Mutar
Abstract:
Nano-materials show different surface properties due to their high surface area and active sites. This study investigates the feasibility of using nano-MgO (NMO) for removing Congo red (CR) dye from wastewater. NMO was prepared by molten salt method. Equilibrium experiments show the equilibrium was reached after 120 minutes and maximum adsorption efficiency was obtained in acidic media up to pH 6. Isotherm studies revealed the favorability of the adsorption process. The overall adsorption process was spontaneous and endothermic in nature with a maximum adsorption capacity of 1100 mg g-1 at 40°C as estimated from Langmuir isotherm. The adsorption kinetics was found to follow pseudo second-order rate equation. Relatively high activation energy (180.7 kJ mol-1) was obtained which is consistent with chemisorption mechanism for the adsorption process.Keywords: adsorption, congo red, magnesium oxide, nanoparticles
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