Search results for: Gibbs free energy

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: 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: B. K. Gill, Himani Sharma, V. K. Rattan

Abstract:

Experimental data of refractive index, excess molar volume and viscosity of binary mixture of morpholine with cumene over the whole composition range at 298.15 K, 303.15 K, 308.15 K and normal atmospheric pressure have been measured. The experimental data were used to compute the density, deviation in molar refraction, deviation in viscosity and excess Gibbs free energy of activation as a function of composition. The experimental viscosity data have been correlated with empirical equations like Grunberg- Nissan, Herric correlation and three body McAllister’s equation. The excess thermodynamic properties were fitted to Redlich-Kister polynomial equation. The variation of these properties with composition and temperature of the binary mixtures are discussed in terms of intermolecular interactions.

Keywords: Cumene, excess Gibbs free energy, excess molar volume, morpholine.

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Authors: Vera Varazashvili, Murman Tsarakhov, Tamar Mirianashvili, Teimuraz Pavlenishvili, Tengiz Machaladze, Mzia Khundadze

Abstract:

Standard Gibbs energy of formation ΔGfor(298.15) of lanthanide-iron double oxides of garnet-type crystal structure R3Fe5O12 - RIG (R – are rare earth ions) from initial oxides are evaluated. The calculation is based on the data of standard entropies S298.15 and standard enthalpies ΔH298.15 of formation of compounds which are involved in the process of garnets synthesis. Gibbs energy of formation is presented as temperature function ΔGfor(T) for the range 300-1600K. The necessary starting thermodynamic data were obtained from calorimetric study of heat capacity – temperature functions and by using the semi-empirical method for calculation of ΔH298.15 of formation. Thermodynamic functions for standard temperature – enthalpy, entropy and Gibbs energy - are recommended as reference data for technological evaluations. Through the structural series of rare earth-iron garnets the correlation between thermodynamic properties and characteristics of lanthanide ions are elucidated.

Keywords: Calorimetry, entropy, enthalpy, heat capacity, gibbs energy of formation, rare earth iron garnets.

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Authors: Marko Popovic

Abstract:

There are three possible effects of Special Theory of Relativity (STR) on a thermodynamic system. Planck and Einstein looked upon this process as isobaric; on the other hand Ott saw it as an adiabatic process. However plenty of logical reasons show that the process is isotherm. Our phenomenological consideration demonstrates that the temperature is invariant with Lorenz transformation. In that case process is isotherm, so volume and pressure are Lorentz covariant. If the process is isotherm the Boyles law is Lorentz invariant. Also equilibrium constant and Gibbs energy, activation energy, enthalpy entropy and extent of the reaction became Lorentz invariant.

Keywords: STR, relativistic temperature transformation, Boyle'slaw, equilibrium constant, Gibbs energy.

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Authors: Refaat M Mohamed, Ayman El-Baz, Aly A. Farag

Abstract:

This paper introduces a novel approach to estimate the clique potentials of Gibbs Markov random field (GMRF) models using the Support Vector Machines (SVM) algorithm and the Mean Field (MF) theory. The proposed approach is based on modeling the potential function associated with each clique shape of the GMRF model as a Gaussian-shaped kernel. In turn, the energy function of the GMRF will be in the form of a weighted sum of Gaussian kernels. This formulation of the GMRF model urges the use of the SVM with the Mean Field theory applied for its learning for estimating the energy function. The approach has been tested on synthetic texture images and is shown to provide satisfactory results in retrieving the synthesizing parameters.

Keywords: Image Modeling, MRF, Parameters Estimation, SVM Learning.

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Authors: Abbul B. Khan, Neeraj Dohare, Rajan Patel

Abstract:

The mixed micellization of adiphenine hydrochloride (ADP) with 1-decyl-3-methylimidazolium chloride (C10mim.Cl), was investigated at different mole fractions and temperatures by surface tension measurements. The synergistic behavior (i.e., non-ideal behavior) for binary mixtures was explained by the deviation of critical micelle concentration (cmc) from ideal critical micelle concentration (cmc*), micellar mole fraction (Xim) from ideal micellar mole fraction (Xiideal), the values of interaction parameter (β) and activity coefficients (fi) (for both mixed micelles and mixed monolayer). The excess free energy (ΔGex) for the ADP- C10mim.Cl binary mixtures explain the stability of mixed micelles in comparison to micelles of pure ADP and C10mim.Cl. Interfacial parameters, i.e., Gibbs surface excess (Гmax), minimum head group area at air/ water interface (Amin), and free energy of micellization (ΔG0m) were also evaluated for the systems.

Keywords: Adiphenine hydrochloride, Critical micelle concentration, Interaction parameter, Activity coefficient.

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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: Olumayede Emmanuel Gbenga, Adeniyi Azeez Adebayo

Abstract:

Carbonyls are the first-generation products from tropospheric degradation reactions of volatile organic compounds (VOCs). This computational study examined the mechanism of removal of carbonyls from the atmosphere via hydroxyl radical. The kinetics of the reactions were computed from the activation energy (using enthalpy (ΔH**) and Gibbs free energy (ΔG**). The minimum energy path (MEP) analysis reveals that in all the molecules, the products have more stable energy than the reactants, which implies that the forward reaction is more thermodynamically favorable. The hydrogen abstraction of the aromatic aldehyde, especially without methyl substituents, is more kinetically favorable compared with the other aldehydes in the order of aromatic (without methyl or meta methyl) > alkene (short chain) > diene > long-chain aldehydes. The activation energy is much lower for the forward reaction than the backward, indicating that the forward reactions are more kinetically stable than their backward reaction. In terms of thermodynamic stability, the aromatic compounds are found to be less favorable in comparison to the aliphatic. The study concludes that the chemistry of the carbonyl bond of the aldehyde changed significantly from the reactants to the products.

Keywords: Atmospheric carbonyls, oxidation, mechanism, kinetic, thermodynamic.

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Authors: Meghal Desai, Jigisha Parikh

Abstract:

Aggregation behavior of sodium salicylate and sodium cumene sulfonate was studied in aqueous solution at different temperature. Specific conductivity and relative viscosity were measured at different temperature to find minimum hydrotropic concentration. The thermodynamic parameters (free energy, enthalpy and entropy) were evaluated in the temperature range of 30°C-70°C. The free energy decreased with increase in temperature. The aggregation was found to be exothermic in nature and favored by positive value of entropy.

Keywords: Hydrotropes, Enthalpy, Entropy, Free Energy, Minimum Hydrotropic Concentration.

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Authors: Satoshi Usami

Abstract:

Among various HLM techniques, the Multivariate Hierarchical Linear Model (MHLM) is desirable to use, particularly when multivariate criterion variables are collected and the covariance structure has information valuable for data analysis. In order to reflect prior information or to obtain stable results when the sample size and the number of groups are not sufficiently large, the Bayes method has often been employed in hierarchical data analysis. In these cases, although the Markov Chain Monte Carlo (MCMC) method is a rather powerful tool for parameter estimation, Procedures regarding MCMC have not been formulated for MHLM. For this reason, this research presents concrete procedures for parameter estimation through the use of the Gibbs samplers. Lastly, several future topics for the use of MCMC approach for HLM is discussed.

Keywords: Gibbs sampler, Hierarchical Linear Model, Markov Chain Monte Carlo, Multivariate Hierarchical Linear Model

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Authors: M. Zahedian, B. Maraghechi, M. H. Rouhani

Abstract:

A nonlinear model of two-beam free-electron laser (FEL) in the absence of slippage is presented. The two beams are assumed to be cold with different energies and the fundamental resonance of the higher energy beam is at the third harmonic of lower energy beam. By using Maxwell-s equations and full Lorentz force equations of motion for the electron beams, coupled differential equations are derived and solved numerically by the fourth order Runge–Kutta method. In this method a considerable growth of third harmonic electromagnetic field in the XUV and X-ray regions is predicted.

Keywords: Free-electron laser, Higher energy beam, Lowerenergy beam, Two-beam

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Authors: Fathi Abubrig, Mohamed Delfag, Suad M. Abuzariba

Abstract:

The influence of the crystal field interactions on the mixed spin-3/2 and spin-5/2 ferrimagnetic Ising system is considered by using the mean field theory based on Bogoliubov inequality for the Gibbs free energy. The ground-state phase diagram is constructed, the phase diagrams of the second-order critical temperatures are obtained, and the thermal variation of the sublattice magnetizations is investigated in detail. We find some interesting phenomena for the sublattice magnetizations at particular values of the crystal field interactions.

Keywords: Crystal field, Ising system, Ferrimagnetic, magnetization, phase diagrams.

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Authors: Munendra Kumar, Deepak Singh

Abstract:

The present investigation aims to study the effect of channel bed slopes on energy dissipation across the different types of Piano Key Weir (PK weir or PKW) under the free-flow conditions in rigid rectangular channels. To this end, three different types (type-A, type-B, and type-C) of PKW models were tested and examined. To document and quantify this experimental investigation, a total of 270 tests were performed, including detailed observations of the flow field. The results show that the energy dissipation of all PKW models increases with the bed slopes and decreases with increasing the discharge over the weirs. In addition, the energy dissipation over the PKW varies significantly with the geometry of the weir. The type-A PKW has shown the highest energy dissipation than the other PKWs. As the bottom slope changed from Sb = 0% to 1.25%, the energy dissipation increased by about 8.5%, 9.1%, and 10.55% for type-A, type-B, and type-C, respectively.

Keywords: Piano key weir, bed slope, energy dissipation across PKW, free overfalls.

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Authors: Ali Mutlu, Berrin Mutlu

Abstract:

In this paper we use the definition of CW basis of a free simplicial algebra. Using the free simplicial algebra, it is shown to construct free or totally free 2−crossed modules on suitable construction data with given a CW−basis of the free simplicial algebra. We give applications free crossed squares, free squared complexes and free 2−crossed complexes by using of 1(one) skeleton resolution of a step by step construction of the free simplicial algebra with a given CW−basis.

Keywords: Free crossed square, Free 2−crossed modules, Free simplicial algebra, Free square complexes, Free 2−crossed complexes CW−basis, 1−skeleton. A. M. S.Classification:[2000] 18D35, 18G30, 18G50, 18G55, 55Q05, 55Q20.

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Authors: V.O. Ojijo, M.S. Onyango, Aoyi Ochieng, F.A.O. Otieno

Abstract:

Batch adsorption of recalcitrant melanoidin using the abundantly available coal fly ash was carried out. It had low specific surface area (SBET) of 1.7287 m2/g and pore volume of 0.002245 cm3/g while qualitative evaluation of the predominant phases in it was done by XRD analysis. Colour removal efficiency was found to be dependent on various factors studied. Maximum colour removal was achieved around pH 6, whereas increasing sorbent mass from 10g/L to 200 g/L enhanced colour reduction from 25% to 86% at 298 K. Spontaneity of the process was suggested by negative Gibbs free energy while positive values for enthalpy change showed endothermic nature of the process. Non-linear optimization of error functions resulted in Freundlich and Redlich-Peterson isotherms describing sorption equilibrium data best. The coal fly ash had maximum sorption capacity of 53 mg/g and could thus be used as a low cost adsorbent in melanoidin removal.

Keywords: Adsorption, Isotherms, Melanoidin, South African coal fly ash.

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Authors: H. Rong, X. C. Yin, J. Yang, Y. N. Shen

Abstract:

Based on Rayleigh beam theory, the sub-impacts of a free-free beam struck horizontally by a round-nosed rigid mass is simulated by the finite difference method and the impact-separation conditions. In order to obtain the sub-impact force, a uniaxial compression elastic-plastic contact model is employed to analyze the local deformation field on contact zone. It is found that the horizontal impact is a complicated process including the elastic plastic sub-impacts in sequence. There are two sub-zones of sub-impact. In addition, it found that the elastic energy of the free-free beam is more suitable for the Poisson collision hypothesis to explain compression and recovery processes.

Keywords: beam, sub-impact, elastic-plastic deformation, finite difference method.

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Authors: Abdulqader M. Mohsen, Ahamad Tajudin Khader, Dhanesh Ramachandram, Abdullatif Ghallab

Abstract:

The physical methods for RNA secondary structure prediction are time consuming and expensive, thus methods for computational prediction will be a proper alternative. Various algorithms have been used for RNA structure prediction including dynamic programming and metaheuristic algorithms. Musician's behaviorinspired harmony search is a recently developed metaheuristic algorithm which has been successful in a wide variety of complex optimization problems. This paper proposes a harmony search algorithm (HSRNAFold) to find RNA secondary structure with minimum free energy and similar to the native structure. HSRNAFold is compared with dynamic programming benchmark mfold and metaheuristic algorithms (RnaPredict, SetPSO and HelixPSO). The results showed that HSRNAFold is comparable to mfold and better than metaheuristics in finding the minimum free energies and the number of correct base pairs.

Keywords: Metaheuristic algorithms, dynamic programming algorithms, harmony search optimization, RNA folding, Minimum free energy.

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Authors: R. Khadim, M. Erritali, A. Maaden

Abstract:

Localization of nodes is one of the key issues of Wireless Sensor Network (WSN) that gained a wide attention in recent years. The existing localization techniques can be generally categorized into two types: range-based and range-free. Compared with rang-based schemes, the range-free schemes are more costeffective, because no additional ranging devices are needed. As a result, we focus our research on the range-free schemes. In this paper we study three types of range-free location algorithms to compare the localization error and energy consumption of each one. Centroid algorithm requires a normal node has at least three neighbor anchors, while DV-hop algorithm doesn’t have this requirement. The third studied algorithm is the amorphous algorithm similar to DV-Hop algorithm, and the idea is to calculate the hop distance between two nodes instead of the linear distance between them. The simulation results show that the localization accuracy of the amorphous algorithm is higher than that of other algorithms and the energy consumption does not increase too much.

Keywords: Wireless Sensor Networks, Node Localization, Centroid Algorithm, DV–Hop Algorithm, Amorphous Algorithm.

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Authors: Chang-Bin Huang, Fu-Kuang Ko

Abstract:

Taiwan was the first country in Asia to announce “Nuclear-Free Homeland" in 2002. In 2008, the new government released the Sustainable Energy Policy Guidelines to lower the nationwide CO2 emissions some time between 2016 and 2020 back to the level of year 2008, further abatement of CO2 emissions is planed in year 2025 when CO2 emissions will decrease to the level of year 2000. Besides, under consideration of the issues of energy, environment and economics (3E), the new government declared that the nuclear power is a carbon-less energy option. This study analyses the effects of nuclear power generation for CO2 abatement scenarios in Taiwan. The MARKAL-MACRO energy model was adopted to evaluate economic impacts and energy deployment due to life extension of existing nuclear power plants and build new nuclear power units in CO2 abatement scenarios. The results show that CO2 abatement effort is expensive. On the other hand, nuclear power is a cost-effective choice. The GDP loss rate in the case of building new nuclear power plants is around two thirds of the Nuclear-Free Homeland case. Nuclear power generation has the capacity to provide large-scale CO2 free electricity. Therefore, the results show that nuclear power is not only an option for Taiwan, but also a requisite for Taiwan-s CO2 reduction strategy.

Keywords: Energy model, CO2 abatement, nuclear power, economic impacts.

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Authors: A. Kerfah, K. Taïbi, S. Omeiri, M. Trari.

Abstract:

New lead-free ferroelectric relaxor ceramics were prepared by conventional solid-state synthesis in the BaTiO3-Bi2O3- Y2O3 systems. Some of these ceramics present a ferroelectric relaxor with transition temperature close to room temperature. These new materials are very interesting for applications and can replace leadbased ceramic to prevent the toxic pollutions during the preparation state. In the other hand, the energy band diagram shows the potentiality of these compounds for the solar energy conversion. Thus, some compositions have been tested successfully for H2 production upon visible light. The best activity occurs in alkaline media with a rate evolution of about 0.15 mL g-1 mn-1 and a quantum yield of 1% under polychromatic light.

Keywords: Ferroelectric, Hydrogen production, Lead-free, Photocatalysis.

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

Abstract:

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

Keywords: Spent bleaching earth, Regeneration, Dye removal, Thermodynamics.

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Authors: Alexander Breitholz, Wolfgang Arlt, Ki-Pung Yoo

Abstract:

Group contribution based models are widely used in industrial applications for its convenience and flexibility. Although a number of group contribution models have been proposed, there were certain limitations inherent to those models. Models based on group contribution excess Gibbs free energy are limited to low pressures and models based on equation of state (EOS) cannot properly describe highly nonideal mixtures including acids without introducing additional modification such as chemical theory. In the present study new a new approach derived from quantum chemistry have been used to calculate necessary EOS group interaction parameters. The COSMO-RS method, based on quantum mechanics, provides a reliable tool for fluid phase thermodynamics. Benefits of the group contribution EOS are the consistent extension to hydrogen-bonded mixtures and the capability to predict polymer-solvent equilibria up to high pressures. The authors are confident that with a sufficient parameter matrix the performance of the lattice EOS can be improved significantly.

Keywords: COSMO-RS, Equation of State, Group contribution, Lattice Fluid, Phase equilibria.

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Authors: O. Punjarat, S. Chucheepsakul, T. Phanyasahachart

Abstract:

This paper focuses on a variational formulation of large amplitude free vibration behavior of a very sag marine cable. In the static equilibrium state, the marine cable has a very large sag configuration. In the motion state, the marine cable is assumed to vibrate in in-plane motion with large amplitude from the static equilibrium position. The total virtual work-energy of the marine cable at the dynamic state is formulated which involves the virtual strain energy due to axial deformation, the virtual work done by effective weight, and the inertia forces. The equations of motion for the large amplitude free vibration of marine cable are obtained by taking into account the difference between the Euler’s equation in the static state and the displaced state. Based on the Galerkin finite element procedure, the linear and nonlinear stiffness matrices, and mass matrices of the marine cable are obtained and the eigenvalue problem is solved. The natural frequency spectrum and the large amplitude free vibration behavior of marine cable are presented.

Keywords: Axial deformation, free vibration, Galerkin Finite Element Method, large amplitude, variational method.

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Authors: Aleksandra Yu. Sazonova, Valentina M. Raeva

Abstract:

The aim of this work was to apply extractive distillation for acetonitrile removal from water solutions, to validate thermodynamic criterion based on excess Gibbs energy to entrainer selection process for acetonitrile – water mixture separation and show its potential efficiency at isothermal conditions as well as at isobaric (conditions of real distillation process), to simulate and analyze an extractive distillation process with chosen entrainers: optimize amount of trays and feeds, entrainer/original mixture and reflux ratios. Equimolar composition of the feed stream was chosen for the process, comparison of the energy consumptions was carried out. Glycerol was suggested as the most energetically and ecologically suitable entrainer.

Keywords: Acetonitrile, entrainer, extractive distillation, water.

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Authors: Donepudi Jagadish

Abstract:

In the view of current requirements of power generation and the increased interest on renewable energy sources, many options are available for generation of clean power. Solar power generation would be one of the best options in this context. The solar pond uses the principle of conversion of solar energy into heat energy, and also has the capability of storing this energy for certain period of time. The solar ponds could be best option for the regions with high solar radiation throughout the day, and also has free land availability. The paper depicts the significance of solar pond for conversion of solar energy into heat energy with a sight towards the parameters like thermal efficiency, working conditions and cost of construction. The simulation of solar pond system has been carried out for understanding the trends of the thermal efficiencies with respect to time.

Keywords: Renewable Energy, Solar Pond, Energy Efficiency, Construction of Solar Pond.

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Authors: Makan Cheraghpour, Seyed Ahmad Hosseini, Damoon Ashtary-Larky, Saeed Shirali, Matin Ghanavati, Meysam Alipour

Abstract:

Background: In addition to reducing body weight, the low-calorie diets can reduce the lean body mass. It is hypothesized that in addition to reducing the body weight, the low-calorie diets can maintain the lean body mass. So, the current study aimed at evaluating the effects of high-protein diet with calorie restriction on body composition in overweight and obese individuals. Methods: 36 obese and overweight subjects were divided randomly into two groups. The first group received a normal-protein, low-energy diet (RDA), and the second group received a high-protein, low-energy diet (2×RDA). The anthropometric indices including height, weight, body mass index, body fat mass, fat free mass, and body fat percentage were evaluated before and after the study. Results: A significant reduction was observed in anthropometric indices in both groups (high-protein, low-energy diets and normal-protein, low-energy diets). In addition, more reduction in fat free mass was observed in the normal-protein, low-energy diet group compared to the high -protein, low-energy diet group. In other the anthropometric indices, significant differences were not observed between the two groups. Conclusion: Independently of the type of diet, low-calorie diet can improve the anthropometric indices, but during a weight loss, high-protein diet can help the fat free mass to be maintained.

Keywords: Diet, high-protein, body mass index, body fat percentage.

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Authors: B. Kabane, G. G. Redhi

Abstract:

An ammonium based ionic liquid (methyltrioctylammonium chloride) [N_{8 8 8 1}] [Cl] was investigated as an extraction potential solvent for volatile organic solvents (in this regard, solutes), which includes alkenes, alkanes, ketones, alkynes, aromatic hydrocarbons, tetrahydrofuran (THF), alcohols, thiophene, water and acetonitrile based on the experimental activity coefficients at infinite THF measurements were conducted by the use of gas-liquid chromatography at four different temperatures (313.15 to 343.15) K. Experimental data of activity coefficients obtained across the examined temperatures were used in order to calculate the physicochemical properties at infinite dilution such as partial molar excess enthalpy, Gibbs free energy and entropy term. Capacity and selectivity data for selected petrochemical extraction problems (heptane/thiophene, heptane/benzene, cyclohaxane/cyclohexene, hexane/toluene, hexane/hexene) were computed from activity coefficients data and compared to the literature values with other ionic liquids. Evaluation of activity coefficients at infinite dilution expands the knowledge and provides a good understanding related to the interactions between the ionic liquid and the investigated compounds.

Keywords: Separation, activity coefficients, ionic liquid, methyltrioctylammonium chloride, capacity.

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Authors: H. C. O. Reis, A. S. Cossolin, B. A. P. Santos, K. C. Castro, G. M. Pereira, V. C. Silva, P. T. Sousa Jr, E. L. Dall’Oglio, L. G. Vasconcelos, E. B. Morais

Abstract:

In this study, malt bagasse, a low-cost waste biomass, was tested as a biosorbent to remove the cationic dye Malachite green (MG) from aqueous solution. Batch biosorption experiments were investigated as functions of different experimental parameters such as initial pH, salt (NaCl) concentration, contact time, temperature and initial dye concentration. Higher removal rates of MG were obtained at pH 8 and 10. The equilibrium and kinetic studies suggest that the biosorption follows Langmuir isotherm and the pseudo-second-order model. The maximum monolayer adsorption capacity was estimated at 117.65 mg/g (at 45 °C). According to Dubinin–Radushkevich (D-R) isotherm model, biosorption of MG onto malt bagasse occurs physically. The thermodynamic parameters such as Gibbs free energy, enthalpy and entropy indicated that the MG biosorption onto malt bagasse is spontaneous and endothermic. The results of the ionic strength effect indicated that the biosorption process under study had a strong tolerance under high salt concentrations. It can be concluded that malt bagasse waste has potential for application as biosorbent for removal of MG from aqueous solution.

Keywords: Color removal, kinetic and isotherm studies, thermodynamic parameters, FTIR.

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Authors: Abdelkader Benzian

Abstract:

Spectroscopy is the study of the spectrum produced by the radiation-matter interaction which requires the study of electromagnetic radiation (or electrons) emitted, absorbed, or scattered by matter. Thus, the spectral analysis is using spectrometers which enables us to obtain curves that express the distribution of the energy emitted (spectrum). Analysis of emission spectra can therefore constitute several methods depending on the range of radiation energy. The most common methods used are Auger electron spectroscopy (AES) and Electron Energy Losses Spectroscopy (EELS), which allow the determination of the atomic structure on the surface. This paper focalized essentially on the Electron Energy Loss Spectroscopy.

Keywords: Dielectric, plasmon, mean free path, spectroscopy of electron energy losses.

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