Search results for: Chemical equilibrium

Authors: Saktioto, F.D Ismail, P.P. Yupapin, J. Ali

Abstract:

The equilibrium process of plasma nitrogen species by chemical kinetic reactions along various pressures is successfully investigated. The equilibrium process is required in industrial application to obtain the stable condition when heating up the material for having homogenous reaction. Nitrogen species densities is modeled by a continuity equation and extended Arrhenius form. These equations are used to integrate the change of density over the time. The integration is to acquire density and the reaction rate of each reaction where temperature and time dependence are imposed. A comparison is made with global model within pressure range of 1- 100mTorr and the temperature of electron is set to be higher than other nitrogen species. The results shows that the chemical kinetic model only agrees for high pressure because of no power imposed; while the global model considers the external power along the pressure range then the electron and nitrogen species give highly quantity densities by factor of 3 to 5.

Keywords: chemical kinetic model, Arrhenius equation, nitrogen plasma, low pressure discharge

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Authors: R. Haoui

Abstract:

Hypersonic flows around spatial vehicles during their reentry phase in planetary atmospheres are characterized by intense aerothermodynamics phenomena. The aim of this work is to analyze high temperature flows around an axisymmetric blunt body taking into account chemical and vibrational non-equilibrium for air mixture species and the no slip condition at the wall. For this purpose, the Navier-Stokes equations system is resolved by the finite volume methodology to determine the flow parameters around the axisymmetric blunt body especially at the stagnation point and in the boundary layer along the wall of the blunt body. The code allows the capture of shock wave before a blunt body placed in hypersonic free stream. The numerical technique uses the Flux Vector Splitting method of Van Leer. CFL coefficient and mesh size level are selected to ensure the numerical convergence.

Keywords: Hypersonic flow, viscous flow, chemical kinetic, dissociation, finite volumes, frozen and non-equilibrium flow.

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Authors: Rabah Haoui

Abstract:

Hypersonic flows around spatial vehicles during their reentry phase in planetary atmospheres are characterized by intense aerothermal phenomena. The aim of this work is to analyze high temperature flows around an axisymmetric blunt body taking into account chemical and vibrational non-equilibrium for air mixture species. For this purpose, a finite volume methodology is employed to determine the supersonic flow parameters around the axisymmetric blunt body, especially at the stagnation point and along the wall of spacecraft for several altitudes. This allows the capture shock wave before a blunt body placed in supersonic free stream. The numerical technique uses the Flux Vector Splitting method of Van Leer. Here, adequate time stepping parameter, along with CFL coefficient and mesh size level are selected to ensure numerical convergence, sought with an order of 10-8

Keywords: Chemical kinetic, dissociation, finite volumes, frozen, hypersonic flow, non-equilibrium, Reactive flow, supersonicflow , vibration.

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Authors: H. Zare Aliabadi

Abstract:

The equilibrium chemical reactions taken place in a converter reactor of the Khorasan Petrochemical Ammonia plant was studied using the minimization of Gibbs free energy method. In the minimization of the Gibbs free energy function the Davidon– Fletcher–Powell (DFP) optimization procedure using the penalty terms in the well-defined objective function was used. It should be noted that in the DFP procedure along with the corresponding penalty terms the Hessian matrices for the composition of constituents in the Converter reactor can be excluded. This, in fact, can be considered as the main advantage of the DFP optimization procedure. Also the effect of temperature and pressure on the equilibrium composition of the constituents was investigated. The results obtained in this work were compared with the data collected from the converter reactor of the Khorasan Petrochemical Ammonia plant. It was concluded that the results obtained from the method used in this work are in good agreement with the industrial data. Notably, the algorithm developed in this work, in spite of its simplicity, takes the advantage of short computation and convergence time.

Keywords: Gibbs free energy, converter reactors, Chemical equilibrium

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Authors: R. Kongnuy, P. Pongsumpun

Abstract:

We used mathematical model to study the transmission of dengue disease. The model is developed in which the human population is separated into two populations, pregnant and non-pregnant humans. The dynamical analysis method is used for analyzing this modified model. Two equilibrium states are found and the conditions for stability of theses two equilibrium states are established. Numerical results are shown for each equilibrium state. The basic reproduction numbers are found and they are compared by using numerical simulations.

Keywords: Basic reproductive number, dengue disease, equilibrium states, pregnancy.

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Authors: Anthony E. Ohazulike, Georg Still, Walter Kern, Eric C. van Berkum

Abstract:

A road pricing game is a game where various stakeholders and/or regions with different (and usually conflicting) objectives compete for toll setting in a given transportation network to satisfy their individual objectives. We investigate some classical game theoretical solution concepts for the road pricing game. We establish results for the road pricing game so that stakeholders and/or regions playing such a game will beforehand know what is obtainable. This will save time and argument, and above all, get rid of the feelings of unfairness among the competing actors and road users. Among the classical solution concepts we investigate is Nash equilibrium. In particular, we show that no pure Nash equilibrium exists among the actors, and further illustrate that even “mixed Nash equilibrium" may not be achievable in the road pricing game. The paper also demonstrates the type of coalitions that are not only reachable, but also stable and profitable for the actors involved.

Keywords: Road pricing game, Equilibrium problem with equilibrium constraint (EPEC), Nash equilibrium, Game stability.

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Authors: K. Shahril, A. Nizam, M. Sabri, A. Siti Rohana, H. Salmah

Abstract:

Chemical modifier (Acrylic Acid) is used as filler treatment to improve mechanical properties and swelling behavior of polypropylene/coconut fiber (PP/CF) composites by creating more adherent bonding between CF filler and PP Matrix. Treated (with chemical modifier) and untreated (without chemical modifier) composites were prepared in the formulation of 10 wt%, 20 wt%, 30 wt%, and 40 wt%. The mechanical testing indicates that composite with 10 wt% of untreated composite has the optimum value of tensile strength, and the composite with chemical modifier shows the tensile strength was increased. By increasing of filler loading, elastic modulus was increased while the elongation at brake was decreased. Meanwhile, the swelling test discerned that the increase of filler loading increased the water absorption of composites and the presence of chemical modifier reduced the equilibrium water absorption percentage.

Keywords: Coconut fiber, polypropylene, acid acrylic, ethanol, chemical modifier, composites.

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Authors: Ziquan Hu, Kun She, Shahzad Ali, Kai Yan

Abstract:

Game theory could be used to analyze the conflicted issues in the field of information hiding. In this paper, 2-phase game can be used to build the embedder-attacker system to analyze the limits of hiding capacity of embedding algorithms: the embedder minimizes the expected damage and the attacker maximizes it. In the system, the embedder first consumes its resource to build embedded units (EU) and insert the secret information into EU. Then the attacker distributes its resource evenly to the attacked EU. The expected equilibrium damage, which is maximum damage in value from the point of view of the attacker and minimum from the embedder against the attacker, is evaluated by the case when the attacker attacks a subset from all the EU. Furthermore, the optimal equilibrium capacity of hiding information is calculated through the optimal number of EU with the embedded secret information. Finally, illustrative examples of the optimal equilibrium capacity are presented.

Keywords: 2-Phase Game, Expected Equilibrium damage, InformationHiding, Optimal Equilibrium Capacity.

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Authors: H. W. Corley

Abstract:

A scalar equilibrium (SE) is an alternative type of equilibrium in pure strategies for an n-person normal-form game G. It is defined using optimization techniques to obtain a pure strategy for each player of G by maximizing an appropriate utility function over the acceptable joint actions. The players’ actions are determined by the choice of the utility function. Such a utility function could be agreed upon by the players or chosen by an arbitrator. An SE is an equilibrium since no players of G can increase the value of this utility function by changing their strategies. SEs are formally defined, and examples are given. In a greedy SE, the goal is to assign actions to the players giving them the largest individual payoffs jointly possible. In a weighted SE, each player is assigned weights modeling the degree to which he helps every player, including himself, achieve as large a payoff as jointly possible. In a compromise SE, each player wants a fair payoff for a reasonable interpretation of fairness. In a parity SE, the players want their payoffs to be as nearly equal as jointly possible. Finally, a satisficing SE achieves a personal target payoff value for each player. The vector payoffs associated with each of these SEs are shown to be Pareto optimal among all such acceptable vectors, as well as computationally tractable.

Keywords: Compromise equilibrium, greedy equilibrium, normal-form game, parity equilibrium, pure strategies, satisficing equilibrium, scalar equilibria, utility function, weighted equilibrium.

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Authors: E. Muzenda

Abstract:

Group contribution methods such as the UNIFAC are of major interest to researchers and engineers involved synthesis, feasibility studies, design and optimization of separation processes as well as other applications of industrial use. Reliable knowledge of the phase equilibrium behavior is crucial for the prediction of the fate of the chemical in the environment and other applications. The objective of this study was to predict the solubility of selected volatile organic compounds (VOCs) in glycol polymers and biodiesel. Measurements can be expensive and time consuming, hence the need for thermodynamic models. The results obtained in this study for the infinite dilution activity coefficients compare very well those published in literature obtained through measurements. It is suggested that in preliminary design or feasibility studies of absorption systems for the abatement of volatile organic compounds, prediction procedures should be implemented while accurate fluid phase equilibrium data should be obtained from experiment.

Keywords: Volatile organic compounds, Prediction, Phaseequilibrium, Environmental, Infinite dilution.

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Authors: Yasuhito Tanaka

Abstract:

In this paper we will constructively prove the existence of an equilibrium in a competitive economy with sequentially locally non-constant excess demand functions. And we will show that the existence of such an equilibrium in a competitive economy implies Sperner-s lemma. We follow the Bishop style constructive mathematics.

Keywords: Sequentially locally non-constant excess demand functions, Equilibrium in a competitive economy, Constructive mathematics

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Authors: Alessandro A. Zizzari, Francesca Calabrese, Giovanni Indiveri, Andrea Coraddu, Diego Villa

Abstract:

The aim of this paper is to present a comparative study on two different methods for the evaluation of the equilibrium point of a ship, core issue for designing an On Board Stability System (OBSS) module that, starting from geometry information of a ship hull, described by a discrete model in a standard format, and the distribution of all weights onboard calculates the ship floating conditions (in draught, heel and trim).

Keywords: Algorithms, Computer applications, Equilibrium, Marine applications, Stability System.

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Authors: Asfaw Gezae Daful

Abstract:

In the present study, two distinctly different approaches are followed for modeling of reactive distillation column, the equilibrium stage model and the nonequilibrium stage model. These models are simulated with a computer code developed in the present study using MATLAB programming. In the equilibrium stage models, the vapor and liquid phases are assumed to be in equilibrium and allowance is made for finite reaction rates, where as in the nonequilibrium stage models simultaneous mass transfer and reaction rates are considered. These simulated model results are validated from the experimental data reported in the literature. The simulated results of equilibrium and nonequilibrium models are compared for concentration, temperature and reaction rate profiles in a reactive distillation column for Methyl Tert Butyle Ether (MTBE) production. Both the models show similar trend for the concentration, temperature and reaction rate profiles but the nonequilibrium model predictions are higher and closer to the experimental values reported in the literature.

Keywords: Reactive Distillation, Equilibrium model, Nonequilibrium model, Methyl Tert-Butyl Ether

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Authors: Seema Kapoor, Baljinder K. Gill, V. K. Rattan

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixture of Methyl acetate and Isopropylbenzene at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. The mixture shows positive deviation from ideality and does not form an azeotrope. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency tests of Herington and Black. The activity coefficients have been satisfactorily correlated by means of the Margules, NRTL, and Black equations. A comparison of the values of activity coefficients obtained by experimental data with the UNIFAC model has been made.

Keywords: Binary mixture, Isopropylbenzene, Methyl acetate, Vapor-liquid equilibrium.

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Authors: Ehsan Vaziri Goodarzi, Mahmood Houshmand, Omid Fatahi Valilai, Vahidreza Ghezavati, Shahrooz Bamdad

Abstract:

One important paradigm of industry 4.0 is Cloud Manufacturing (CM). In CM everything is considered as a service, therefore, the CM platform should consider all service provider's capabilities and tries to integrate services in an equilibrium state. This research develops a framework for implementing manufacturing cloud service composition in the equilibrium state. The developed framework using well-known tools called axiomatic design (AD) and game theory. The research has investigated the factors for forming equilibrium for measures of the manufacturing cloud service composition. Functional requirements (FRs) represent the measures of manufacturing cloud service composition in the equilibrium state. These FRs satisfied by related Design Parameters (DPs). The FRs and DPs are defined by considering the game theory, QoS, consumer needs, parallel and cooperative services. Ultimately, four FRs and DPs represent the framework. To insure the validity of the framework, the authors have used the first AD’s independent axiom.

Keywords: Axiomatic design, manufacturing cloud service composition, cloud manufacturing, Industry 4.0.

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Authors: K. Sudprasert, M. Precharattana, N. Nuttavut, D. Triampo, B. Pattanasiri, Y. Lenbury, W. Triampo

Abstract:

The study of non-equilibrium systems has attracted increasing interest in recent years, mainly due to the lack of theoretical frameworks, unlike their equilibrium counterparts. Studying the steady state and/or simple systems is thus one of the main interests. Hence in this work we have focused our attention on the driven lattice gas model (DLG model) consisting of interacting particles subject to an external field E. The dynamics of the system are given by hopping of particles to nearby empty sites with rates biased for jumps in the direction of E. Having used small two dimensional systems of DLG model, the stochastic properties at nonequilibrium steady state were analytically studied. To understand the non-equilibrium phenomena, we have applied the analytic approach via master equation to calculate probability function and analyze violation of detailed balance in term of the fluctuation-dissipation theorem. Monte Carlo simulations have been performed to validate the analytic results.

Keywords: Non-equilibrium, lattice gas, stochastic process

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Authors: V. K. Rattan, Baljinder K. Gill, Seema Kapoor

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for binary mixture of 2-Methyltetrahydrofuran and Cumene at 97.3 kPa. The data were obtained using a vapor recirculating type (modified Othmer's) equilibrium still. The mixture shows slight negative deviation from ideality. The system does not form an azeotrope. The experimental data obtained in this study are thermodynamically consistent according to the Herington test. The activity coefficients have been satisfactorily correlated by means of the Margules, and NRTL equations. Excess Gibbs free energy has been calculated from the experimental data. The values of activity coefficients have also been obtained by the UNIFAC group contribution method.

Keywords: Binary mixture, 2-Methyltetrahydrofuran, Cumene, Vapor-liquid equilibrium, UNIFAC, Excess Gibbs free energy.

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Authors: Jamal S. Yassin

Abstract:

This paper is to formulate a mathematical model to predict the amounts of the emissions produced from the combustion process of the gas turbine unit of the jet engine. These emissions have bad impacts on the environment if they are out of standards, which cause real threats to all type of life on the earth. The amounts of the emissions from the gas turbine engine are functions to many operational and design factors. In landing-takeoff (LTO) these amounts are not the same as in taxi or cruise of the plane using jet engines, because of the difference in the activity period during these operating modes. These emissions can be affected by several physical and chemical variables, such as fuel type, fuel to air ratio or equivalence ratio, flame temperature, combustion pressure, in addition to some inlet conditions such as ambient temperature and air humidity. To study the influence of these variables on the amounts of these emissions during the combustion process in the gas turbine unit, a computer program has been developed by using the visual basic 6 software. Here, the analysis of the combustion process is carried out by considering it as a chemical reaction with shifting equilibrium to find the products of the combustion of the octane fuel, at different equivalence ratios, compressor pressure ratios (CPR) and combustion temperatures. The results obtained have shown that there is noticeable influence of the equivalence ratio, CPR, and the combustion temperature on the amounts of the main emissions which are considered pollutants, such as CO, CO₂ and NO.

Keywords: Mathematical model, gas turbine unit, equivalence ratio, emissions, shifting equilibrium.

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Authors: Debashish Panda, Kannan A.

Abstract:

Equilibrium and rate based models have been applied in the simulation of methyl tertiary-butyl ether (MTBE) synthesis through reactive distillation. Temperature and composition profiles were compared for both the models and found that both the profiles trends, though qualitatively similar are significantly different quantitatively. In the rate based method (RBM), multicomponent mass transfer coefficients have been incorporated to describe interphase mass transfer. MTBE mole fraction in the bottom stream is found to be 0.9914 in the Equilibrium Model (EQM) and only 0.9904 for RBM when the same column configuration was preserved. The individual tray efficiencies were incorporated in the EQM and simulations were carried out. Dynamic simulation have been also carried out for the two column configurations and compared.

Keywords: Aspen Plus, equilibrium stage model, methyl tertiary-butyl ether, rate based model.

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Authors: Baljinder K. Gill, V. K. Rattan, Seema Kapoor

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixtures of n-Butylamine and Triethylamine with Cumene at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. The binary mixture of n-Butylamine + Cumene shows positive deviation from ideality. Triethylamine + Cumene mixture shows negligible deviation from ideality. None of the systems form an azeotrope. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency test of Herington. The activity coefficients have been satisfactorily correlated by means of the Margules, NRTL, and Black equations. The activity coefficient values obtained by the UNIFAC model are also reported.

Keywords: Binary mixture, cumene, n-butylamine, triethylamine, vapor-liquid equilibrium.

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Authors: Gábor Szűcs, Gyula Sallai

Abstract:

The goal of this paper is to find Wardrop equilibrium in transport networks at case of uncertainty situations, where the uncertainty comes from lack of information. We use simulation tool to find the equilibrium, which gives only approximate solution, but this is sufficient for large networks as well. In order to take the uncertainty into account we have developed an interval-based procedure for finding the paths with minimal cost using the Dempster-Shafer theory. Furthermore we have investigated the users- behaviors using game theory approach, because their path choices influence the costs of the other users- paths.

Keywords: Dempster-Shafer theory, S-O and U-Otransportation network, uncertainty of information, Wardropequilibrium.

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Authors: Sh. Kianfar, A. Moheb, H. Ghaforian

Abstract:

The equilibrium, thermodynamics and kinetics of the biosorption of Cd (II) and Pb(II) by a Spore Forming Bacillus (MGL 75) were investigated at different experimental conditions. The Langmuir and Freundlich, and Dubinin-Radushkevich (D-R) equilibrium adsorption models were applied to describe the biosorption of the metal ions by MGL 75 biomass. The Langmuir model fitted the equilibrium data better than the other models. Maximum adsorption capacities q max for lead (II) and cadmium (II) were found equal to 158.73mg/g and 91.74 mg/g by Langmuir model. The values of the mean free energy determined with the D-R equation showed that adsorption process is a physiosorption process. The thermodynamic parameters Gibbs free energy (ΔG°), enthalpy (ΔH°), and entropy (ΔS°) changes were also calculated, and the values indicated that the biosorption process was exothermic and spontaneous. Experiment data were also used to study biosorption kinetics using pseudo-first-order and pseudo-second-order kinetic models. Kinetic parameters, rate constants, equilibrium sorption capacities and related correlation coefficients were calculated and discussed. The results showed that the biosorption processes of both metal ions followed well pseudo-second-order kinetics.

Keywords: biosorption, kinetics, Metal ion removal, thermodynamics

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Authors: Nafisur Rahman, Habibur Rahman, Syed Najmul Hejaz Azmi

Abstract:

This paper presents a simple and sensitive kinetic spectrophotometric method for the determination of ramipril in commercial dosage forms. The method is based on the reaction of the drug with 1-chloro-2,4-dinitrobenzene (CDNB) in dimethylsulfoxide (DMSO) at 100 ± 1ºC. The reaction is followed spectrophotometrically by measuring the rate of change of the absorbance at 420 nm. Fixed-time (ΔA) and equilibrium methods are adopted for constructing the calibration curves. Both the calibration curves were found to be linear over the concentration ranges 20 - 220 μg/ml. The regression analysis of calibration data yielded the linear equations: Δ A = 6.30 × 10-4 + 1.54 × 10-3 C and A = 3.62 × 10-4 + 6.35 × 10-3 C for fixed time (Δ A) and equilibrium methods, respectively. The limits of detection (LOD) for fixed time and equilibrium methods are 1.47 and 1.05 μg/ml, respectively. The method has been successfully applied to the determination of ramipril in commercial dosage forms. Statistical comparison of the results shows that there is no significant difference between the proposed methods and Abdellatef-s spectrophotometric method.

Keywords: Equilibrium method, Fixed-time (ΔA) method, Ramipril, Spectrophotometry.

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Authors: Seok Hong Min, Tae Kwon Ha

Abstract:

High strength Fe-36Ni-base Invar alloys containing Al contents up to 0.3 weight percent were cast into ingots and thermodynamic equilibrium during solidification has been investigated in this study. From the thermodynamic simulation using Thermo-Calc®, it has been revealed that equilibrium phases which can be formed are two kinds of MC-type precipitates, MoC, and M₂C carbides. The mu phase was also expected to form by addition of aluminum. Microstructure observation revealed the coarse precipitates in the as-cast ingots, which was non-equilibrium phase and could be resolved by the successive heat treatment. With increasing Al contents up to 0.3 wt.%, tensile strength of Invar alloy increased as 1400MPa after cold rolling and thermal expansion coefficient increased significantly. Cold rolling appeared to dramatically decrease thermal expansion coefficient.

Keywords: Invar alloy, Aluminum, Phase equilibrium, thermal expansion coefficient, microstructure, tensile properties.

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Authors: Jixiang Zhang, Guocheng Wang

Abstract:

A dynamic of Bertrand duopoly game is analyzed, where players use different production methods and choose their prices with bounded rationality. The equilibriums of the corresponding discrete dynamical systems are investigated. The stability conditions of Nash equilibrium under a local adjustment process are studied. The stability conditions of Nash equilibrium under a local adjustment process are studied. The stability of Nash equilibrium, as some parameters of the model are varied, gives rise to complex dynamics such as cycles of higher order and chaos. On this basis, we discover that an increase of adjustment speed of bounded rational player can make Bertrand market sink into the chaotic state. Finally, the complex dynamics, bifurcations and chaos are displayed by numerical simulation.

Keywords: Bertrand duopoly model, Discrete dynamical system, Heterogeneous expectations, Nash equilibrium.

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Authors: Aparajita Goswami, Mihir K Purkait

Abstract:

In the present study Schwertmannite (an iron oxide hydroxide) is selected as an adsorbent for defluoridation of water. The adsorbent was prepared by wet chemical process and was characterized by SEM, XRD and BET. The fluoride adsorption efficiency of the prepared adsorbent was determined with respect to contact time, initial fluoride concentration, adsorbent dose and pH of the solution. The batch adsorption data revealed that the fluoride adsorption efficiency was highly influenced by the studied factors. Equilibrium was attained within one hour of contact time indicating fast kinetics and the adsorption data followed pseudo second order kinetic model. Equilibrium isotherm data fitted to both Langmuir and Freundlich isotherm models for a concentration range of 5-30 mg/L. The adsorption system followed Langmuir isotherm model with maximum adsorption capacity of 11.3 mg/g. The high adsorption capacity of Schwertmannite points towards the potential of this adsorbent for fluoride removal from aqueous medium.

Keywords: Adsorption, fluoride, isotherm study, kinetics, schwertmannite.

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Authors: Hamid Maidat, Khedidja Bouhadef, Djamel Eddine Ameziani, Azzedine Abdedou

Abstract:

This work consists of a numerical simulation of convective heat transfer in a vertical plane channel filled with a heat generating porous medium, in the absence of local thermal equilibrium. The walls are maintained to a constant temperature and the inlet velocity is uniform. The dynamic range is described by the Darcy-Brinkman model and the thermal field by two energy equations model. A dimensionless formulation is developed for performing a parametric study based on certain dimensionless groups such as, the Biot interstitial number, the thermal conductivity ratio and the volumetric heat generation, q '''. The governing equations are solved using the finite volume method, gave rise to a multitude of results concerning in particular the thermal field in the porous channel and the existence or not of the local thermal equilibrium.

Keywords: Mixed convection, porous medium, power generation, local thermal non equilibrium model.

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Authors: Tomáš Bakalár, Milan Búgel, Henrieta Pavolová

Abstract:

This study deals with evaluation of influence of salinity (NaCl) onto equilibrium of Cu and Ni removal from aqueous solutions by natural sorbent – zeolite. Equilibrium data were obtained by batch experiments. The salinity of the aqueous solution was influenced by dissolving NaCl in distilled water. It was studied in the range of NaCl concentrations from 1 g.l-1 to 100g.l-1. For Cu sorption there is a significant influence of salinity. The maximum capacity of zeolite for Cu was decreasing with growing concentration of NaCl. For Ni sorption there is not so significant influence of salinity as for Cu. The maximum capacity of zeolite for Ni was slightly decreasing with growing concentration of NaCl.

Keywords: Cu, Ni, sorption, zeolite.

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Authors: Xiang Zhang, David Rey, S. Travis Waller

Abstract:

Stochastic User Equilibrium (SUE) model is a widely used traffic assignment model in transportation planning, which is regarded more advanced than Deterministic User Equilibrium (DUE) model. However, a problem exists that the performance of the SUE model depends on its error term parameter. The objective of this paper is to propose a systematic method of determining the appropriate error term parameter value for the SUE model. First, the significance of the parameter is explored through a numerical example. Second, the parameter calibration method is developed based on the Logit-based route choice model. The calibration process is realized through multiple nonlinear regression, using sequential quadratic programming combined with least square method. Finally, case analysis is conducted to demonstrate the application of the calibration process and validate the better performance of the SUE model calibrated by the proposed method compared to the SUE models under other parameter values and the DUE model.

Keywords: Parameter calibration, sequential quadratic programming, Stochastic User Equilibrium, traffic assignment, transportation planning.

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Authors: Edison Muzenda

Abstract:

The aim of this study was to compare the solubility of selected volatile organic compounds in water and silicon oil using the simple static headspace method. The experimental design allowed equilibrium achievement within 30 – 60 minutes. Infinite dilution activity coefficients and Henry-s law constants for various organics representing esters, ketones, alkanes, aromatics, cycloalkanes and amines were measured at 303K. The measurements were reproducible with a relative standard deviation and coefficient of variation of 1.3x10-3 and 1.3 respectively. The static determined activity coefficients using shaker flasks were reasonably comparable to those obtained using the gas liquid - chromatographic technique and those predicted using the group contribution methods mainly the UNIFAC. Silicon oil chemically known as polydimethysiloxane was found to be better absorbent for VOCs than water which quickly becomes saturated. For example the infinite dilution mole fraction based activity coefficients of hexane is 0.503 and 277 000 in silicon oil and water respectively. Thus silicon oil gives a superior factor of 550 696. Henry-s law constants and activity coefficients at infinite dilution play a significant role in the design of scrubbers for abatement of volatile organic compounds from contaminated air streams. This paper presents the phase equilibrium of volatile organic compounds in very dilute aqueous and polymeric solutions indicating the movement and fate of chemical in air and solvent. The successful comparison of the results obtained here and those obtained using other methods by the same authors and in literature, means that the results obtained here are reliable.

Keywords: Abatement, absorbent, activity coefficients, equilibrium, Henry's law constant.

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