Search results for: T. Gibbs

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: 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: 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: Mojtaba Heydarizad

Abstract:

Khorasan Razavi is the second most important province in north-east of Iran, which faces a water shortage crisis due to recent droughts and huge water consummation. Kardeh and Torogh dam reservoirs in this province provide a notable part of Mashhad metropolitan (with more than 4.5 million inhabitants) potable water needs. Hydrochemical analyses on these dam reservoirs samples demonstrate that MgHCO₃ in Kardeh and CaHCO₃ and to lower extent MgHCO₃ water types in Torogh dam reservoir are dominant. On the other hand, Gibbs binary diagram demonstrates that rock weathering is the main factor controlling water quality in dam reservoirs. Plotting dam reservoir samples on Mg²⁺/Na⁺ and HCO₃^-/Na⁺ vs. Ca²⁺/ Na⁺ diagrams demonstrate evaporative and carbonate mineral dissolution is the dominant rock weathering ion sources in these dam reservoirs. Cluster Analyses (CA) also demonstrate intense role of rock weathering mainly (carbonate and evaporative minerals dissolution) in water quality of these dam reservoirs. Studying water quality by the U.S. National Sanitation Foundation (NSF) WQI index NSF-WQI, Oregon Water Quality Index (OWQI) and Canadian Water Quality Index DWQI index show moderate and good quality.

Keywords: Hydrochemistry, water quality classification, water quality indexes, Torogh and Kardeh Dam Reservoirs.

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Authors: Assem M. F. Sallam, Ah. El-S. Makled

Abstract:

In this paper, there is an implementation, verification, and graphical demonstration of a software application, which can be used swiftly over different preliminary orbit determination methods. A passive orbit determination method is used in this study to determine the location of a satellite or a flying body. It is named a passive orbit determination because it depends on observation without the use of any aids (radio and laser) installed on satellite. In order to understand how these methods work and how their output is accurate when compared with available verification data, the built models help in knowing the different inputs used with each method. Output from the different orbit determination methods (Gibbs, Lambert, and Gauss) will be compared with each other and verified by the data obtained from Satellite Tool Kit (STK) application. A modified model including all of the orbit determination methods using the same input will be introduced to investigate different models output (orbital parameters) for the same input (azimuth, elevation, and time). Simulation software is implemented using MATLAB. A Graphical User Interface (GUI) application named OrDet is produced using the GUI of MATLAB. It includes all the available used inputs and it outputs the current Classical Orbital Elements (COE) of satellite under observation. Produced COE are then used to propagate for a complete revolution and plotted on a 3-D view. Modified model which uses an adapter to allow same input parameters, passes these parameters to the preliminary orbit determination methods under study. Result from all orbit determination methods yield exactly the same COE output, which shows the equality of concept in determination of satellite’s location, but with different numerical methods.

Keywords: Orbit determination, STK, MATLAB-GUI, satellite tracking.

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Authors: H K Lakshminarayana, J S Bhat, H M Mahesh

Abstract:

A new estimator for evolutionary spectrum (ES) based on short time Fourier transform (STFT) and modified group delay function (MGDF) by signal decomposition (SD) is proposed. The STFT due to its built-in averaging, suppresses the cross terms and the MGDF preserves the frequency resolution of the rectangular window with the reduction in the Gibbs ripple. The present work overcomes the magnitude distortion observed in multi-component non-stationary signals with STFT and MGDF estimation of ES using SD. The SD is achieved either through discrete cosine transform based harmonic wavelet transform (DCTHWT) or perfect reconstruction filter banks (PRFB). The MGDF also improves the signal to noise ratio by removing associated noise. The performance of the present method is illustrated for cross chirp and frequency shift keying (FSK) signals, which indicates that its performance is better than STFT-MGDF (STFT-GD) alone. Further its noise immunity is better than STFT. The SD based methods, however cannot bring out the frequency transition path from band to band clearly, as there will be gap in the contour plot at the transition. The PRFB based STFT-SD shows good performance than DCTHWT decomposition method for STFT-GD.

Keywords: Evolutionary Spectrum, Modified Group Delay, Discrete Cosine Transform, Harmonic Wavelet Transform, Perfect Reconstruction Filter Banks, Short Time Fourier Transform.

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Authors: N. Kannan, Sabu Joseph

Abstract:

Groundwater is an essential and vital component of our life support system. The groundwater resources are being utilized for drinking, irrigation and industrial purposes. There is growing concern on deterioration of groundwater quality due to geogenic and anthropogenic activities. Groundwater, being a fragile must be carefully managed to maintain its purity within standard limits. So, quality assessment and management are to be carried out hand-in-hand to have a pollution free environment and for a sustainable use. In order to assess the quality for consumption by human beings and for use in agriculture, the groundwater from the shallow aquifers (dug well) in the Palakkad and Chittur taluks of Bharathapuzha river basin - a paddy dominated agricultural basin (order=8th; L= 209 Km; Area = 6186 Km2), Kerala, India, has been selected. The water samples (n= 120) collected for various seasons, viz., monsoon-MON (August, 2005), postmonsoon-POM (December, 2005) and premonsoon-PRM (April, 2006), were analyzed for important physico-chemical attributes. Spatial and temporal variation of attributes do exist in the study area, and based on major cations and anions, different hydrochemical facies have been identified. Using Gibbs'diagram, rock dominance has been identified as the mechanism controlling groundwater chemistry. Further, the suitability of water for irrigation was determined by analyzing salinity hazard indicated by sodium adsorption ratio (SAR), residual sodium carbonate (RSC) and sodium percent (%Na). Finally, stress zones in the study area were delineated using Arc GIS spatial analysis and various management options were recommended to restore the ecosystem.

Keywords: Groundwater quality, agricultural basin, Kerala, India.

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Authors: Kemalettin Erbatur, Özer Koca, Evrim Taşkıran, Metin Yılmaz, Utku Seven

Abstract:

Recent fifteen years witnessed fast improvements in the field of humanoid robotics. The human-like robot structure is more suitable to human environment with its supreme obstacle avoidance properties when compared with wheeled service robots. However, the walking control for bipedal robots is a challenging task due to their complex dynamics. Stable reference generation plays a very important role in control. Linear Inverted Pendulum Model (LIPM) and the Zero Moment Point (ZMP) criterion are applied in a number of studies for stable walking reference generation of biped walking robots. This paper follows this main approach too. We propose a natural and continuous ZMP reference trajectory for a stable and human-like walk. The ZMP reference trajectories move forward under the sole of the support foot when the robot body is supported by a single leg. Robot center of mass trajectory is obtained from predefined ZMP reference trajectories by a Fourier series approximation method. The Gibbs phenomenon problem common with Fourier approximations of discontinuous functions is avoided by employing continuous ZMP references. Also, these ZMP reference trajectories possess pre-assigned single and double support phases, which are very useful in experimental tuning work. The ZMP based reference generation strategy is tested via threedimensional full-dynamics simulations of a 12-degrees-of-freedom biped robot model. Simulation results indicate that the proposed reference trajectory generation technique is successful.

Keywords: Biped robot, Linear Inverted Pendulum Model, Zero Moment Point, Fourier series approximation.

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Authors: S. Sieniutycz

Abstract:

This paper unifies power optimization approaches in various energy converters, such as: thermal, solar, chemical, and electrochemical engines, in particular fuel cells. Thermodynamics leads to converter-s efficiency and limiting power. Efficiency equations serve to solve problems of upgrading and downgrading of resources. While optimization of steady systems applies the differential calculus and Lagrange multipliers, dynamic optimization involves variational calculus and dynamic programming. In reacting systems chemical affinity constitutes a prevailing component of an overall efficiency, thus the power is analyzed in terms of an active part of chemical affinity. The main novelty of the present paper in the energy yield context consists in showing that the generalized heat flux Q (involving the traditional heat flux q plus the product of temperature and the sum products of partial entropies and fluxes of species) plays in complex cases (solar, chemical and electrochemical) the same role as the traditional heat q in pure heat engines. The presented methodology is also applied to power limits in fuel cells as to systems which are electrochemical flow engines propelled by chemical reactions. The performance of fuel cells is determined by magnitudes and directions of participating streams and mechanism of electric current generation. Voltage lowering below the reversible voltage is a proper measure of cells imperfection. The voltage losses, called polarization, include the contributions of three main sources: activation, ohmic and concentration. Examples show power maxima in fuel cells and prove the relevance of the extension of the thermal machine theory to chemical and electrochemical systems. The main novelty of the present paper in the FC context consists in introducing an effective or reduced Gibbs free energy change between products p and reactants s which take into account the decrease of voltage and power caused by the incomplete conversion of the overall reaction.

Keywords: Power yield, entropy production, chemical engines, fuel cells, exergy.

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Authors: G. Henini, Y. Laidani, F. Souahi, A. Labbaci, S. Hanini

Abstract:

Environmental contamination is a major problem being faced by the society today. Industrial, agricultural, and domestic wastes, due to the rapid development in the technology, are discharged in the several receivers. Generally, this discharge is directed to the nearest water sources such as rivers, lakes, and seas. While the rates of development and waste production are not likely to diminish, efforts to control and dispose of wastes are appropriately rising. Wastewaters from textile industries represent a serious problem all over the world. They contain different types of synthetic dyes which are known to be a major source of environmental pollution in terms of both the volume of dye discharged and the effluent composition. From an environmental point of view, the removal of synthetic dyes is of great concern. Among several chemical and physical methods, adsorption is a promising technique due to the ease of use and low cost compared to other applications in the process of discoloration, especially if the adsorbent is inexpensive and readily available. The focus of the present study was to assess the potentiality of Brahea edulis (BE) for the removal of synthetic dye Yellow bemacid (YB) from aqueous solutions. The results obtained here may transfer to other dyes with a similar chemical structure. Biosorption studies were carried out under various parameters such as mass adsorbent particle, pH, contact time, initial dye concentration, and temperature. The biosorption kinetic data of the material (BE) was tested by the pseudo first-order and the pseudo-second-order kinetic models. Thermodynamic parameters including the Gibbs free energy ΔG, enthalpy ΔH, and entropy ΔS have revealed that the adsorption of YB on the BE is feasible, spontaneous, and endothermic. The equilibrium data were analyzed by using Langmuir, Freundlich, Elovich, and Temkin isotherm models. The experimental results show that the percentage of biosorption increases with an increase in the biosorbent mass (0.25 g: 12 mg/g; 1.5 g: 47.44 mg/g). The maximum biosorption occurred at around pH value of 2 for the YB. The equilibrium uptake was increased with an increase in the initial dye concentration in solution (C_o = 120 mg/l; q = 35.97 mg/g). Biosorption kinetic data were properly fitted with the pseudo-second-order kinetic model. The best fit was obtained by the Langmuir model with high correlation coefficient (R² > 0.998) and a maximum monolayer adsorption capacity of 35.97 mg/g for YB.

Keywords: Adsorption, Brahea edulis, isotherm, yellow bemacid.

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