World Academy of Science, Engineering and Technology

Authors: Ahmad Seif, Karim Zare, Asadallah Boshra, Mehran Aghaie

Abstract:

Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were carried out on the geometrically optimized model. The evaluated nuclear quadrupole coupling constants and asymmetry parameters for the mentioned nuclei reveal that the model can be divided into seven layers of nuclei with an equivalent electrostatic environment where those nuclei at the ends of tubes have a very strong electrostatic environment compared to the other nuclei along the length of tubes. The calculations were performed via Gaussian 98 package of program.

Keywords: Armchair Nanotube, Density Functional Theory, Nuclear Quadrupole Resonance.

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Authors: G. de la Rosa, H. E. Reynel-Avila, A. Bonilla-Petriciolet, I. Cano-Rodríguez, C. Velasco-Santos, and A. L. Martínez-Hernández

Abstract:

Chicken feathers were used as biosorbent for Pb removal from aqueous solution. In this paper, the kinetics and equilibrium studies at several pH, temperature, and metal concentration values are reported. For tested conditions, the Pb sorption capacity of this poultry waste ranged from 0.8 to 8.3 mg/g. Optimal conditions for Pb removal by chicken feathers have been identified. Pseudo-first order and pseudo-second order equations were used to analyze the experimental data. In addition, the sorption isotherms were fitted to classical Langmuir and Freundlich models. Finally, thermodynamic parameters for the sorption process have been determined. In summary, the results showed that chicken feathers are an alternative and promising sorbent for the treatment of effluents polluted by Pb ions.

Keywords: Sorption, chicken feathers, Pb, water treatment.

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Authors: P. Worathanakul, P. Kongkachuichay

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A new SUZ-4 zeolite membrane with tetraethlyammonium hydroxide as the template was fabricated on mullite tube via hydrothermal sol-gel synthesis in a rotating autoclave reactor. The suitable synthesis condition was SiO2:Al2O3 ratio of 21.2 for 4 days at 155 °C crystallization under autogenous pressure. The obtained SUZ-4 possessed a high BET surface area of 396.4 m2/g, total pore volume at 2.611 cm3/g, and narrow pore size distribution with 97 nm mean diameter and 760 nm long of needle crystal shape. The SUZ-4 layer obtained from seeding crystallization was thicker than that of without seeds or in situ crystallization.

Keywords: Membrane, seeding, sol-gel, SUZ-4 Zeolite.

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Authors: Pelin Demirçivi, Gülhayat Nasün-Saygılı

Abstract:

Boron minerals are very useful for various industrial activities, such as glass industry and detergent industry, due to its mechanical and chemical properties. During the production of boron compounds, many of these are introduced into the environment in the form of waste. Boron is also an important micro nutrient for the plants to vegetate but if it exists in high concentrations, it could have toxic effects. The maximum boron level in drinking water for human health is given as 0.3 mg/L in World Health Organization (WHO) standards. The toxic effects of boron should be noted especially for dry regions, thus, in recent years, increasing attention has been paid to remove the boron from waste waters. In this study, boron removal is implemented by ion exchange process using Amberlite IRA-743 resin. Amberlite IRA-743 resin is a boron specific resin and it belongs to the polymerizate sorbent group within the aminopolyol functional group. Batch studies were performed to investigate the effects of various experimental parameters, such as adsorbent dose, initial concentration and pH, on the removal of boron. It is found that, when the adsorbent dose increases removal of boron from the liquid phase increases. However, an increase in the initial concentration decreases the removal of boron. The effective pH values for removal of boron are determined between 8.5 and 9. Equilibrium isotherms were also analyzed by Langmuir and Freundlich isotherm models. The Langmuir isotherm is obeyed better than the Freundlich isotherm.

Keywords: Amberlite resin, boron removal, ion exchange, isotherm models.

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Authors: Maria D. Nikolaki, Katerina N. Zerva, Constantine. J. Philippopoulos

Abstract:

The photochemical and photo-Fenton oxidation of 1,3-dichloro-2-propanol was performed in a batch reactor, at room temperature, using UV radiation, H2O2 as oxidant, and Fenton-s reagent. The effect of the oxidative agent-s initial concentration was investigated as well as the effect of the initial concentration of Fe(II) by following the target compound degradation, the total organic carbon removal and the chloride ion production. Also, from the kinetic analysis conducted and proposed reaction scheme it was deduced that the addition of Fe(II) significantly increases the production and the further oxidation of the chlorinated intermediates.

Keywords: 1, 3-dichloro-2-propanol, hydrogen peroxide, photo- Fenton, UV .

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Authors: Moghadazadeh Zahra, Towfighi Jafar, Mofarahi Masoud

Abstract:

This article is presented an experimental and modeling study of a four-bed pressure swing adsorption process using zeolite13X to provide oxygen-enriched air. The binary mixture N2/O2 (79/21 vol %) was used as a feed stream. The effects of purge/feed ratio (P/F), adsorption pressure, cyclic time and product flow rate on product purity and recovery under nonisothermal condition were studied. The adsorption dynamics of process were determined using a mathematical model incorporated mass and energy balances. A Mathlab code using finite difference method was developed to solve the set of coupled differential-algebraic equations, and the simulation results are agreed well with experimental results.

Keywords: Pressure swing adsorption (PSA), Oxygen, Zeolite 13X.

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Authors: Waing Waing Kay Khine Oo, Shwe Wut Hmon Aye, Kay Thi Lwin

Abstract:

Chromite is one of the principal ore of chromium in which the metal exists as a complex oxide (FeO.Cr2O3).The prepared chromite can be widely used as refractory in high temperature applications. This study describes the use of local chromite ore as refractory material. To study the feasibility of local chromite, chemical analysis and refractoriness are firstly measured. To produce chromite refractory brick, it is pressed under a press of 400 tons, dried and fired at 1580°C for fifty two hours. Then, the standard properties such as cold crushing strength, apparent porosity, apparent specific gravity, bulk density and water absorption that the chromite brick should possess were measured. According to the results obtained, the brick made by local chromite ore was suitable for use as refractory brick.

Keywords: chemical analysis, chromite ore, chromite refractory brick, refractoriness.

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Authors: Htet Htike Htwe, Kay Thi Lwin

Abstract:

The principal objective of this study is to be able to extract niobium oxide from columbite-tantalite concentrate of Thayet Kon Area in Nay Phi Taw. It is recovered from columbite-tantalite concentrate which contains 19.29 % Nb2O5.The recovery of niobium oxide from columbite-tantalite concentrate can be divided into three main sections, namely, digestion of the concentrate, recovery from the leached solution and precipitation and calcinations. The concentrate was digested with hydrofluoric acid and sulfuric acid. Of the various parameters that effect acidity and time were studied. In the recovery section solvent extraction process using methyl isobutyl ketone was investigated. Ammonium hydroxide was used as a precipitating agent and the precipitate was later calcined. The percentage of niobium oxide is 74%.

Keywords: Calcination, Digestion, Precipitation, SolventExtraction.

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Authors: Eleni Aggelogiannaki, Haralambos Sarimveis

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In this work, a radial basis function (RBF) neural network is developed for the identification of hyperbolic distributed parameter systems (DPSs). This empirical model is based only on process input-output data and used for the estimation of the controlled variables at specific locations, without the need of online solution of partial differential equations (PDEs). The nonlinear model that is obtained is suitably transformed to a nonlinear state space formulation that also takes into account the model mismatch. A stable robust control law is implemented for the attenuation of external disturbances. The proposed identification and control methodology is applied on a long duct, a common component of thermal systems, for a flow based control of temperature distribution. The closed loop performance is significantly improved in comparison to existing control methodologies.

Keywords: Hyperbolic Distributed Parameter Systems, Radial Basis Function Neural Networks, H∞ control, Thermal systems.

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Authors: A. Chaudhuri, C. Guha, T. K. Dutta

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Pressure driven microscale gas flow-separation has been investigated by solving the compressible Navier-Stokes (NS) system of equations. A two dimensional explicit finite volume (FV) compressible flow solver has been developed using modified advection upwind splitting methods (AUSM+) with no-slip/first order Maxwell-s velocity slip conditions to predict the flowseparation behavior in microdimensions. The effects of scale-factor of the flow geometry and gas species on the microscale gas flowseparation have been studied in this work. The intensity of flowseparation gets reduced with the decrease in scale of the flow geometry. In reduced dimension, flow-separation may not at all be present under similar flow conditions compared to the larger flow geometry. The flow-separation patterns greatly depend on the properties of the medium under similar flow conditions.

Keywords: AUSM+, FVM, Flow-separation, Microflow.

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Authors: Paola Lecca, Lorenzo Dematte, Corrado Priami

Abstract:

The present models and simulation algorithms of intracellular stochastic kinetics are usually based on the premise that diffusion is so fast that the concentrations of all the involved species are homogeneous in space. However, recents experimental measurements of intracellular diffusion constants indicate that the assumption of a homogeneous well-stirred cytosol is not necessarily valid even for small prokaryotic cells. In this work a mathematical treatment of diffusion that can be incorporated in a stochastic algorithm simulating the dynamics of a reaction-diffusion system is presented. The movement of a molecule A from a region i to a region j of the space is represented as a first order reaction Ai k- ! Aj , where the rate constant k depends on the diffusion coefficient. The diffusion coefficients are modeled as function of the local concentration of the solutes, their intrinsic viscosities, their frictional coefficients and the temperature of the system. The stochastic time evolution of the system is given by the occurrence of diffusion events and chemical reaction events. At each time step an event (reaction or diffusion) is selected from a probability distribution of waiting times determined by the intrinsic reaction kinetics and diffusion dynamics. To demonstrate the method the simulation results of the reaction-diffusion system of chaperoneassisted protein folding in cytoplasm are shown.

Keywords: Reaction-diffusion systems, diffusion coefficient, stochastic simulation algorithm.

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Authors: K. Soya, N. Mihara, D. Kuchar, M. Kubota, H. Matsuda, T. Fukuta

Abstract:

The present work is concerned with sulfidation of Cu, Zn and Ni containing plating wastewater with CaS. The sulfidation experiments were carried out at a room temperature by adding solid CaS to simulated metal solution containing either single-metal of Ni, Zn and Cu, or Ni-Zn-Cu mixture. At first, the experiments were conducted without pH adjustment and it was found that the complete sulfidation of Zn and Ni was achieved at an equimolar ratio of CaS to a particular metal. However, in the case of Cu, a complete copper sulfidation was achieved at CaS to Cu molar ratio of about 2. In the case of the selective sulfidation, a simulated plating solution containing Cu, Zn and Ni at the concentration of 100 mg/dm3 was treated with CaS under various pH conditions. As a result, selective precipitation of metal sulfides was achieved by a sulfidation treatment at different pH values. Further, the precipitation agents of NaOH, Na2S and CaS were compared in terms of the average specific filtration resistance and compressibility coefficients of metal sulfide slurry. Consequently, based on the lowest filtration parameters of the produced metal sulfides, it was concluded that CaS was the most effective precipitation agent for separation and recovery of Cu, Zn and Ni.

Keywords: Calcium sulfide, Plating Wastewater, Filtrationcharacteristics, Heavy metals, Sulfidation.

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Authors: D. Kuchar, T. Fukuta, M. Kubota, H. Matsuda

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The selective recovery of heavy metals of Cu, Zn, Ni and Cr from a mixed plating sludge by sulfidation and oxidation treatment was targeted in this study. At first, the mixed plating sludge was simultaneously subjected to an extraction and Cu sulfidation process at pH=1.5 to dissolve heavy metals and to precipitate Cu2+ as CuS. In the next step, the sulfidation treatment of Zn was carried out at pH=4.5 and the residual solution was subjected to an oxidation treatment of chromium with H2O2 at pH=10.0. After the experiments, the selectivity of metal precipitation and the chromium oxidation ratio were evaluated. As results, it was found that the filter cake obtained after selective sulfidation of Cu was composed of 96.6% of Cu (100% equals to the sum of Cu, Zn, Ni and Cr contents). Such findings confirmed that almost complete extraction of heavy metals was achieved at pH=1.5 and also that Cu could be selectively recovered as CuS. Further, the filter cake obtained at pH=4.5 was composed of 91.5% Zn and 6.83% of Cr. Regarding the chromium oxidation step, the chromium oxidation ratio was found to increase with temperature and the addition of oxidation agent of H2O2, but only oxidation ratio of 59% was achieved at a temperature of 60°C and H2O2 to Cr3+ equivalent ratio of 180.

Keywords: Chromium recovery, oxidation, plating sludge, sulfidation.

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Authors: Jingming Wu, Ruikang Hu, Junqi Yue, Zhaoguang Yang, Lifeng Zhang

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Fecal sterol has been proposed as a chemical indicator of human fecal pollution even when fecal coliform populations have diminished due to water chlorination or toxic effects of industrial effluents. This paper describes an improved derivatization procedure for simultaneous determination of four fecal sterols including coprostanol, epicholestanol, cholesterol and cholestanol using gas chromatography-mass spectrometry (GC-MS), via optimization study on silylation procedures using N-O-bis (trimethylsilyl)-trifluoroacetamide (BSTFA), and N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide (MTBSTFA), which lead to the formation of trimethylsilyl (TMS) and tert-butyldimethylsilyl (TBS) derivatives, respectively. Two derivatization processes of injection-port derivatization and water bath derivatization (60 oC, 1h) were inspected and compared. Furthermore, the methylation procedure at 25 oC for 2h with trimethylsilydiazomethane (TMSD) for fecal sterols analysis was also studied. It was found that most of TMS derivatives demonstrated the highest sensitivities, followed by methylated derivatives. For BSTFA or MTBSTFA derivatization processes, the simple injection-port derivatization process could achieve the same efficiency as that in the tedious water bath derivatization procedure.

Keywords: Fecal Sterols, Methylation, Silylation, BSTFA, MTBSTFA, TMSD, GC-MS.

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Authors: Tomáš Bakalár, Milan Búgel, Henrieta Pavolová

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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: Dalia Angeles-Wedler, Katrin Mackenzie, Frank-Dieter Kopinke

Abstract:

Palladium-catalyzed hydrodechlorination is a promising alternative for the treatment of environmentally relevant water bodies, such as groundwater, contaminated with chlorinated organic compounds (COCs). In the aqueous phase hydrodechlorination of COCs, Pd-based catalysts were found to have a very high catalytic activity. However, the full utilization of the catalyst-s potential is impeded by the sensitivity of the catalyst to poisoning and deactivation induced by reduced sulfur compounds (e.g. sulfides). Several regenerants have been tested before to recover the performance of sulfide-fouled Pd catalyst. But these only delivered partial success with respect to re-establishment of the catalyst activity. In this study, the deactivation behaviour of Pd/Al2O3 in the presence of sulfide was investigated. Subsequent to total deactivation the catalyst was regenerated in the aqueous phase using potassium permanganate. Under neutral pH condition, oxidative regeneration with permanganate delivered a slow recovery of catalyst activity. However, changing the pH of the bulk solution to acidic resulted in the complete recovery of catalyst activity within a regeneration time of about half an hour. These findings suggest the superiority of permanganate as regenerant in re-activating Pd/Al2O3 by oxidizing Pd-bound sulfide.

Keywords: Deactivation, hydrodechlorination, Pd catalyst, regeneration.

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Authors: N. Tuncbag, T. Haliloglu, O. Keskin

Abstract:

Understanding the cell's large-scale organization is an interesting task in computational biology. Thus, protein-protein interactions can reveal important organization and function of the cell. Here, we investigated the correspondence between protein interactions and function for the yeast. We obtained the correlations among the set of proteins. Then these correlations are clustered using both the hierarchical and biclustering methods. The detailed analyses of proteins in each cluster were carried out by making use of their functional annotations. As a result, we found that some functional classes appear together in almost all biclusters. On the other hand, in hierarchical clustering, the dominancy of one functional class is observed. In brief, from interaction data to function, some correlated results are noticed about the relationship between interaction and function which might give clues about the organization of the proteins.

Keywords: Pair-wise protein interactions, DIP database, functional correlations, biclustering.

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Authors: Joana M. Dias, Conceição A. Ferraz, Manuel F. Almeida

Abstract:

Studying alternative raw materials for biodiesel production is of major importance. The use of mixtures with incorporation of wastes is an environmental friendly alternative and might reduce biodiesel production costs. The objective of the present work was: (i) to study biodiesel production using waste frying oil mixed with pork lard and (ii) to understand how mixture composition influences biodiesel quality. Biodiesel was produced by transesterification and quality was evaluated through determination of several parameters according to EN 14214. The weight fraction of lard in the mixture varied from 0 to 1 in 0.2 intervals. Biodiesel production yields varied from 81.7 to 88.0 (wt%), the lowest yields being the ones obtained using waste frying oil and lard alone as raw materials. The obtained products fulfilled most of the determined quality specifications according to European biodiesel quality standard EN 14214. Minimum purity (96.5 wt%) was closely obtained when waste frying oil was used alone and when 0.2% of lard was incorporated in the raw material (96.3 wt%); however, it ranged from 93.9 to 96.3 (wt%) being always close to the limit. From the evaluation of the influence of mixture composition in biodiesel quality, it was possible to establish a model to be used for predicting some parameters of biodiesel resulting from mixtures of waste frying oil with lard when different lard contents are used.

Keywords: Biodiesel, mixtures, transesterification, waste.

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Authors: S. Al-Asheh, K. Al-Emadi

Abstract:

In recent years, there have been attempts to store natural gas in adsorptive form. This is called adsorptive natural gas, or ANG. The problem with this technology is the low sorption capacity. The purpose is to achieve compressed natural gas (CNG) capacity of 230 V/V. Further research is required to achieve such target. Several research studies have been performed with this target; through either the modification or development of new sorbents or the optimization of the operation sorption process itself. In this work, storage of methane on molecular sieves 5A and 13X was studied on dry basis, and on wet basis to certain extent. The temperature and the pressure dynamics were investigated. The results indicated that regardless of the charge pressure, the time for the peak temperature during the methane charge process is always the same. This can be used as a characteristic of the adsorbent. The total achieved deliveries using molecular sieves were much lower than that of activated carbons; 53.0 V/V for the case of 13X molecular sieves and 43 V/V for the case of 5A molecular sieves, both at 2oC and 4 MPa (580 psi). Investigation of charge pressure dynamic using wet molecular sieves at 2oC and a mass ratio of 0.5, revealed slowness of the process and unexpected behavior.

Keywords: Methane, Molecular sieves, Adsorption, Delivery, Storage.

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Authors: Smaali Assia, Outemzabet Ratiba, Media El Mahdi, Kadi Mohamed

Abstract:

Films of pure tin oxide SnO2 and in presence of antimony atoms (SnO2-Sb) deposited onto glass substrates have shown a sufficiently high energy gap to be transparent in the visible region, a high electrical mobility and a carrier concentration which displays a good electrical conductivity [1]. In this work, the effects of polycrystalline silicon substrate on the optical properties of pure and Sb doped tin oxide is investigated. We used the APCVD (atmospheric pressure chemical vapour deposition) technique, which is a low-cost and simple technique, under nitrogen ambient, for growing this material. A series of SnO2 and SnO2-Sb have been deposited onto polycrystalline silicon substrates with different contents of antimony atoms at the same conditions of deposition (substrate temperature, flow oxygen, duration and nitrogen atmosphere of the reactor). The effect of the substrate in terms of morphology and nonlinear optical properties, mainly the reflectance, was studied. The reflectance intensity of the device, compared to the reflectance of tin oxide films deposited directly on glass substrate, is clearly reduced on the overall wavelength range. It is obvious that the roughness of the poly-c silicon plays an important role by improving the reflectance and hence the optical parameters. A clear shift in the minimum of the reflectance upon doping level is observed. This minimum corresponds to strong free carrier absorption, resulting in different plasma frequency. This effect is followed by an increase in the reflectance depending of the antimony doping. Applying the extended Drude theory to the combining optical and electrical obtained results these effects are discussed.

Keywords: Doping, oxide, reflectance.

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Authors: Khaireyah Kh. Al-Hamad, V. Nassehi, A. R. Khan

Abstract:

Air pollution is a major environmental health problem, affecting developed and developing countries around the world. Increasing amounts of potentially harmful gases and particulate matter are being emitted into the atmosphere on a global scale, resulting in damage to human health and the environment. Petroleum-related air pollutants can have a wide variety of adverse environmental impacts. In the crude oil production sectors, there is a strong need for a thorough knowledge of gaseous emissions resulting from the flaring of associated gas of known composition on daily basis through combustion activities under several operating conditions. This can help in the control of gaseous emission from flares and thus in the protection of their immediate and distant surrounding against environmental degradation. The impacts of methane and non-methane hydrocarbons emissions from flaring activities at oil production facilities at Kuwait Oilfields have been assessed through a screening study using records of flaring operations taken at the gas and oil production sites, and by analyzing available meteorological and air quality data measured at stations located near anthropogenic sources. In the present study the Industrial Source Complex (ISCST3) Dispersion Model is used to calculate the ground level concentrations of methane and nonmethane hydrocarbons emitted due to flaring in all over Kuwait Oilfields. The simulation of real hourly air quality in and around oil production facilities in the State of Kuwait for the year 2006, inserting the respective source emission data into the ISCST3 software indicates that the levels of non-methane hydrocarbons from the flaring activities exceed the allowable ambient air standard set by Kuwait EPA. So, there is a strong need to address this acute problem to minimize the impact of methane and non-methane hydrocarbons released from flaring activities over the urban area of Kuwait.

Keywords: Kuwait Oilfields, ISCST3 model, flaring, Airpollution, Methane and Non-methane.

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Authors: Shilpi Kushwaha, Suparna Sodaye, P. Padmaja

Abstract:

Palm shell obtained from coastal part of southern India was studied for the removal for the adsorption of Hg (II) ions. Batch adsorption experiments were carried out as a function of pH, concentration of Hg (II) ions, time, temperature and adsorbent dose. Maximum removal was seen in the range pH 4.0- pH 7.0. The palm shell powder used as adsorbent was characterized for its surface area, SEM, PXRD, FTIR, ion exchange capacity, moisture content, and bulk density, soluble content in water and acid and pH. The experimental results were analyzed using Langmuir I, II, III, IV and Freundlich adsorption isotherms. The batch sorption kinetics was studied for the first order reversible reaction, pseudo first order; pseudo second order reaction and the intra-particle diffusion reaction. The biomass was successfully used for removal Hg (II) from synthetic and industrial effluents and the technique appears industrially applicable and viable.

Keywords: Biosorbent, mercury removal, borassus flabellifer, isotherms, kinetics, palm shell.

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Authors: B. Silva, H. Figueiredo, I. C. Neves, T. Tavares

Abstract:

Arthrobacter viscosus biomass was used for Cr(VI) biosorption. The effect of pH on Cr(VI) reduction and removal from aqueous solution was studied in the range of 1-4. The Cr(VI) removal involves both redox reaction and adsorption of metal ions on biomass surface. The removal rate of Cr(VI) was enhanced by very acid conditions, while higher solution pH values favored the removal of total chromium. The best removal efficiency and uptake were reached at pH 4, 72.5 % and 12.6 mgCr/gbiomass, respectively.

Keywords: Biosorption, chromium, pH, reduction.

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Authors: Yong H. Chung, Eun J. Han, Seil Lee, Sun Y. Park, Eun H. Yoon, Eun J. Cho, Jang H. Lee, Young J. Chu, Jang H. Ha, Jongseo Chai, Yu S. Kim, Min Y. Lee, Hyeyoung Lee

Abstract:

Cross sections of As radionuclides in the interaction of natGe with 14-30 MeV protons have been deduced by off-line y-ray spectroscopy to find optimal reaction channels leading to radiotracers for positron emission tomography. The experimental results were compared with the previous results and those estimated by the compound nucleus reaction model.

Keywords: Compound nucleus reaction model, off-line g-ray spectroscopy, radionuclide.

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Authors: R.Rahimi, F.Moharrami

Abstract:

Titanium gels doped with water-soluble cationic porphyrin were synthesized by the sol–gel polymerization of Ti (OC4H9)4. In this work we investigate the spectroscopic properties along with SEM images of tetra carboxyl phenyl porphyrin when incorporated into porous matrix produced by the sol–gel technique.

Keywords: TCPP, Titanium matrix, UV/Vis spectroscopy, SEM.

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Authors: A.K. Tangirala, S. Babji

Abstract:

In the last few years, three multivariate spectral analysis techniques namely, Principal Component Analysis (PCA), Independent Component Analysis (ICA) and Non-negative Matrix Factorization (NMF) have emerged as effective tools for oscillation detection and isolation. While the first method is used in determining the number of oscillatory sources, the latter two methods are used to identify source signatures by formulating the detection problem as a source identification problem in the spectral domain. In this paper, we present a critical drawback of the underlying linear (mixing) model which strongly limits the ability of the associated source separation methods to determine the number of sources and/or identify the physical source signatures. It is shown that the assumed mixing model is only valid if each unit of the process gives equal weighting (all-pass filter) to all oscillatory components in its inputs. This is in contrast to the fact that each unit, in general, acts as a filter with non-uniform frequency response. Thus, the model can only facilitate correct identification of a source with a single frequency component, which is again unrealistic. To overcome this deficiency, an iterative post-processing algorithm that correctly identifies the physical source(s) is developed. An additional issue with the existing methods is that they lack a procedure to pre-screen non-oscillatory/noisy measurements which obscure the identification of oscillatory sources. In this regard, a pre-screening procedure is prescribed based on the notion of sparseness index to eliminate the noisy and non-oscillatory measurements from the data set used for analysis.

Keywords: non-negative matrix factorization, PCA, source separation, plant-wide diagnosis

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Authors: Rahmatollah Rahimi, Fariba Moharrami

Abstract:

The Kinetics formation of labile Complex Ag (I) tetra (p-carboxyphenyl) porphyrin, was investigated at 25oC and I=0.1M (NaNO3). By spectrophotometric titration, the composition ratio of the complex was established to be 2:1 (Ag : H2TCPP). The equilibrium constant, K, was found to be log 10-6.53. Binding of the first Ag (I) was found to be rate determining step with rate constant, k1= 4.67×102 . A plausible mechanism is discussed. We discus theoretically why Ag(I)2TCPP is unstable.

Keywords: Kinetics, Silver, TCPP, Sitting-atop, Theoretical study

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Authors: S. M. Ghoreishi, R. Gholami Shahrestani, S. H. Ghaziaskar

Abstract:

Subcritical water extraction was investigated as a novel and alternative technology in the food and pharmaceutical industry for the separation of Mannitol from olive leaves and its results was compared with those of Soxhlet extraction. The effects of temperature, pressure, and flow rate of water and also momentum and mass transfer dimensionless variables such as Reynolds and Peclet Numbers on extraction yield and equilibrium partition coefficient were investigated. The 30-110 bars, 60-150°C, and flow rates of 0.2-2 mL/min were the water operating conditions. The results revealed that the highest Mannitol yield was obtained at 100°C and 50 bars. However, extraction of Mannitol was not influenced by the variations of flow rate. The mathematical modeling of experimental measurements was also investigated and the model is capable of predicting the experimental measurements very well. In addition, the results indicated higher extraction yield for the subcritical water extraction in contrast to Soxhlet method.

Keywords: Extraction, Mannitol, Modeling, Olive leaves, Soxhlet extraction, Subcritical water.

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Authors: R. D. Kulkarni, Mayur Chaudhari, S. Mishra

Abstract:

Curing of paints by exposure to UV radiations is emerging as one of the best film forming technique as an alternative to traditional solvent borne oxidative and thermal curing coatings. The composition and chemistry of UV curable coatings and role of multifunctional and monofunctional monomers, oligomers, and photoinitiators have been discussed. The limitations imposed by thermodynamic equilibrium and tendency for acrylic double bond polymerizations during synthesis of multifunctional acrylates have been presented. Aim of present investigation was thus to explore the reaction variables associated with synthesis of multifunctional acrylates. Zirconium oxychloride was evaluated as catalyst against regular acid functional catalyst. The catalyzed synthesis of glyceryl acrylate and neopentyl glycol acrylate was conducted by variation of following reaction parameters: two different reactant molar ratios- 1:4 and 1:6; catalyst usage in % by moles on polyol- 2.5, 5.0 and 7.5 and two different reaction temperatures- 45 and 75 0C. The reaction was monitored by determination of acid value and hydroxy value at regular intervals, besides TLC, HPLC, and FTIR analysis of intermediates and products. On the basis of determination of reaction progress over 1-60 hrs, the esterification reaction was observed to follow 2nd order kinetics with rate constant varying from 1*10-4 to 7*10-4. The thermal and catalytic components of second order rate constant and energy of activation were also determined. Uses of these kinetic and thermodynamic parameters in design of reactor for manufacture of multifunctional acrylate ester have been presented. The synthesized multifunctional acrylates were used to formulate and apply UV curable clear coat followed by determination of curing characteristics and mechanical properties of cured film. The overall curing rates less than 05 min. were easily attained indicating economical viability of radiation curable system due to faster production schedules

Keywords: glyceryl acrylate, neopentyl glycol acrylate, kinetic modeling, zirconium oxychloride.

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Authors: J. Geiser, R. Röhle

Abstract:

In this paper we present discretization and decomposition methods for a multi-component transport model of a chemical vapor deposition (CVD) process. CVD processes are used to manufacture deposition layers or bulk materials. In our transport model we simulate the deposition of thin layers. The microscopic model is based on the heavy particles, which are derived by approximately solving a linearized multicomponent Boltzmann equation. For the drift-process of the particles we propose diffusionreaction equations as well as for the effects of heat conduction. We concentrate on solving the diffusion-reaction equation with analytical and numerical methods. For the chemical processes, modelled with reaction equations, we propose decomposition methods and decouple the multi-component models to simpler systems of differential equations. In the numerical experiments we present the computational results of our proposed models.

Keywords: Chemical reactions, chemical vapor deposition, convection-diffusion-reaction equations, decomposition methods, multi-component transport.

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