Search results for: metal organic frameworks(MOFs)
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4495

Search results for: metal organic frameworks(MOFs)

2155 Optimization of the Conditions of Oligomerization and Polymerization Processes of Selected Olefins with the Use of Complex Compounds of Transition Metal Ions

Authors: Joanna Drzeżdżon, Marzena Białek

Abstract:

Polyolefins are a group of materials used today in all areas of life. They are used in the food, domestic and other industries. In particular, polyethylene and polypropylene have found application in the production of packaging materials, pipes, containers, car parts as well as elements of medical equipment, e.g. syringes. Optimization of the polymerization and oligomerization processes of selected olefins is a very important stage before the technological implementation of polyolefin production. The purpose of the studies is to determine the conditions for ethylene polymerization as well as 3-buten-2-ol and 2-chloro-2-propen-1-ol oligomerization with the use of oxovanadium(IV) dipicolinate complexes with N-heterocyclic ligands. Additionally, the studies aims to determine the catalytic activities of the dipicolinate oxovanadium(IV) complexes with N-heterocyclic ligands in the studied polymerization and oligomerization processes.

Keywords: buten-2-ol, dipicolinate, ethylene, polymerization, oligomerization, vanadium

Procedia PDF Downloads 178
2154 The Social and Economic Discourse of Roberto Cochrane Simonsen: The Presence of Americanism

Authors: Maxwel F. Silva, José Geraldo Pedrosa

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The issue revolves around the discourse on development that was current in Brazil in the late nineteenth and early twentieth century and its relation to industrialization as idea of civility, modernity and progress. The main objective of this paper is to analyze the workmanship of the visionary entrepreneur and organic intellectual Roberto Cochrane Simonsen (1889-1948). In the set of speeches, lectures and conferences pronounced by Simonsen, the USA constantly appears like model of civilization. The hypothesis is that, as base of the proposals of industrialization defended by him there was an idea of Americanism that would serve of foundation to a way of thinking and acting. For Simonsen, the construction of a nation is directly related to its industrialization. In his thought, develop the Brazil means to structure the country with rational economic mechanisms. This paper investigates the American influences on the discourse of Simonsen about the development of Brazil.

Keywords: Americanism, development of Brazil, Simonsen, social discourse

Procedia PDF Downloads 328
2153 Organochlorine Residues in Cuttlefish from the Arabian Gulf

Authors: A. El-Gendy, S. Al-Farraj, S. Al Kahtani, M. El-Hedeny

Abstract:

Contaminations of persistent organic pollutants (POPs) such as, dichlorodiphenyl trichloroethane (DDT), hexachlorocyclohexane (HCH) and chlordane (CHLs) were examined in the edible mantle tissues of the commercial cuttlefish Sepia pharaonis Ehrenberg 1831, collected from the marine water of the Arabian Gulf. The mean concentrations of DDT, CHLs and HCH were in the ranges of 29.4 - 56 ng/g, 47.4 - 100 ng/g and 1 - 4 ng/g, respectively. Among the POPs analyzed, HCH showed the lowest concentrations ranging between 1 to 5 ng/g lipid wt. However, concentrations of DDT, CHLs and HCH, detected in this study, were generally comparable or lower than those found in studies of similar cephalopod species from other areas subject to a high anthropogenic impact. Relationships between total body lengths and/or dorsal mantle lengths of the organisms and the concentration values of the studied POPs were also considered. Compared with recommendations of the international organizations, there are no potential risks associated with consuming the studied cuttlefish species.

Keywords: cuttlefish, Sepia pharaonis, organochlorine, DDT, CHLs, HCH, Arabian Gulf

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2152 COSMO-RS Prediction for Choline Chloride/Urea Based Deep Eutectic Solvent: Chemical Structure and Application as Agent for Natural Gas Dehydration

Authors: Tayeb Aissaoui, Inas M. AlNashef

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In recent years, green solvents named deep eutectic solvents (DESs) have been found to possess significant properties and to be applicable in several technologies. Choline chloride (ChCl) mixed with urea at a ratio of 1:2 and 80 °C was the first discovered DES. In this article, chemical structure and combination mechanism of ChCl: urea based DES were investigated. Moreover, the implementation of this DES in water removal from natural gas was reported. Dehydration of natural gas by ChCl:urea shows significant absorption efficiency compared to triethylene glycol. All above operations were retrieved from COSMOthermX software. This article confirms the potential application of DESs in gas industry.

Keywords: COSMO-RS, deep eutectic solvents, dehydration, natural gas, structure, organic salt

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2151 UV-Cured Thiol-ene Based Polymeric Phase Change Materials for Thermal Energy Storage

Authors: M. Vezir Kahraman, Emre Basturk

Abstract:

Energy storage technology offers new ways to meet the demand to obtain efficient and reliable energy storage materials. Thermal energy storage systems provide the potential to acquire energy savings, which in return decrease the environmental impact related to energy usage. For this purpose, phase change materials (PCMs) that work as 'latent heat storage units' which can store or release large amounts of energy are preferred. Phase change materials (PCMs) are being utilized to absorb, collect and discharge thermal energy during the cycle of melting and freezing, converting from one phase to another. Phase Change Materials (PCMs) can generally be arranged into three classes: organic materials, salt hydrates and eutectics. Many kinds of organic and inorganic PCMs and their blends have been examined as latent heat storage materials. PCMs have found different application areas such as solar energy storage and transfer, HVAC (Heating, Ventilating and Air Conditioning) systems, thermal comfort in vehicles, passive cooling, temperature controlled distributions, industrial waste heat recovery, under floor heating systems and modified fabrics in textiles. Ultraviolet (UV)-curing technology has many advantages, which made it applicable in many different fields. Low energy consumption, high speed, room-temperature operation, low processing costs, high chemical stability, and being environmental friendly are some of its main benefits. UV-curing technique has many applications. One of the many advantages of UV-cured PCMs is that they prevent the interior PCMs from leaking. Shape-stabilized PCM is prepared by blending the PCM with a supporting material, usually polymers. In our study, this problem is minimized by coating the fatty alcohols with a photo-cross-linked thiol-ene based polymeric system. Leakage is minimized because photo-cross-linked polymer acts a matrix. The aim of this study is to introduce a novel thiol-ene based shape-stabilized PCM. Photo-crosslinked thiol-ene based polymers containing fatty alcohols were prepared and characterized for the purpose of phase change materials (PCMs). Different types of fatty alcohols were used in order to investigate their properties as shape-stable PCMs. The structure of the PCMs was confirmed by ATR-FTIR techniques. The phase transition behaviors, thermal stability of the prepared photo-crosslinked PCMs were investigated by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). This work was supported by Marmara University, Commission of Scientific Research Project.

Keywords: differential scanning calorimetry (DSC), Polymeric phase change material, thermal energy storage, UV-curing

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2150 Pd Supported on Activated Carbon: Effect of Support Texture on the Dispersion of Pd

Authors: Ji Sun Kim, Jae Ho Baek, Kyeong Ho Kim, Ji Hae Ha, Seong Soo Hong, Jung-Wook Park, Man Sig Lee

Abstract:

Carbon supported palladium catalysts have been used in many industrial reactions, especially for hydrogenation in the fine chemical industry. Porous carbons had been widely used as catalyst supports due to its higher surface area and larger pore volume. The specific surface area, pore structure and surface chemical functional groups of porous carbon affects metal dispersion and particle size. In this paper, we confirm the effect of support texture on the dispersion of Pd. Pd catalyst supported on activated carbon having various specific surface area were characterized by BET, XRD and FE-TEM. Catalyst activity and dispersion of prepared catalyst were evaluated on the basis of the CO adsorption capacity by CO-chemisorption. As concluding remark to this part of our study, let us note that specific area of carbon play important role on the synthesis of Pd/C catalyst/.

Keywords: carbon, dispersion, Pd/C, specific are, support

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2149 [Keynote Talk]: Photocatalytic Cleaning Performance of Air Filters for a Binary Mixture

Authors: Lexuan Zhong, Chang-Seo Lee, Fariborz Haghighat, Stuart Batterman, John C. Little

Abstract:

Ultraviolet photocatalytic oxidation (UV-PCO) technology has been recommended as a green approach to health indoor environment when it is integrated into mechanical ventilation systems for inorganic and organic compounds removal as well as energy saving due to less outdoor air intakes. Although much research has been devoted to UV-PCO, limited information is available on the UV-PCO behavior tested by the mixtures in literature. This project investigated UV-PCO performance and by-product generation using a single and a mixture of acetone and MEK at 100 ppb each in a single-pass duct system in an effort to obtain knowledge associated with competitive photochemical reactions involved in. The experiments were performed at 20 % RH, 22 °C, and a gas flow rate of 128 m3/h (75 cfm). Results show that acetone and MEK mutually reduced each other’s PCO removal efficiency, particularly negative removal efficiency for acetone. These findings were different from previous observation of facilitatory effects on the adsorption of acetone and MEK on photocatalyst surfaces.

Keywords: by-products, inhibitory effect, mixture, photocatalytic oxidation

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2148 Microwave Assisted Growth of Varied Phases and Morphologies of Vanadium Oxides Nanostructures: Structural and Optoelectronic Properties

Authors: Issam Derkaoui, Mohammed Khenfouch, Bakang M. Mothudi, Malik Maaza, Izeddine Zorkani, Anouar Jorio

Abstract:

Transition metal oxides nanoparticles with different morphologies have attracted a lot of attention recently owning to their distinctive geometries, and demonstrated promising electrical properties for various applications. In this paper, we discuss the time and annealing effects on the structural and electrical properties of vanadium oxides nanoparticles (VO-NPs) prepared by microwave method. In this sense, transmission electron microscopy (TEM), X-ray diffraction (XRD), Raman Spectroscopy, Ultraviolet-visible absorbance spectra (Uv-Vis) and electrical conductivity were investigated. Hence, the annealing state and the time are two crucial parameters for the improvement of the optoelectronic properties. The use of these nanostructures is promising way for the development of technological applications especially for energy storage devices.

Keywords: Vanadium oxide, Microwave, Electrical conductivity, Optoelectronic properties

Procedia PDF Downloads 180
2147 A Study of the Weld Properties of Inconel 625 Based on Nb Content

Authors: JongWon Han, NoHoon Kim, HyoIk Ahn, HaeWoo Lee

Abstract:

In this study, shielded metal arc welding was performed as a function of Nb content at 2.24 wt%, 3.25 wt%, and 4.26 wt%. The microstructure was observed using scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDS) and showed the development of a columnar dendrite structure in the specimen having the least Nb content. From the hardness test, the hardness value was confirmed to reduce with decreasing Nb content. From electron backscatter diffraction (EBSD) analysis, the largest grain size was found in the specimen with Nb content of 2.24 wt%. The potentiodynamic polarization test was carried out to determine the pitting corrosion resistance; there was no significant difference in the pitting corrosion resistance with increasing Nb content. To evaluate the degree of sensitization to intergranular corrosion, the Double Loop Electrochemical Potentiodynamic Reactivation(DL-EPR test) was conducted. A similar degree of sensitization was found in two specimens except with a Nb content of 2.24 wt%, while a relatively high degree of sensitization was found in the specimen with a Nb content of 2.24 wt%.

Keywords: inconel 625, Nb content, potentiodynamic test, DL-EPR test

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2146 Anaerobic Soil Disinfestation: Feasible Alternative to Soil Chemical Fumigants

Authors: P. Serrano-Pérez, M. C. Rodríguez-Molina, C. Palo, E. Palo, A. Lacasa

Abstract:

Phytophthora nicotianae is the principal causal agent of root and crown rot disease of red pepper plants in Extremadura (Western Spain). There is a need to develop a biologically-based method of soil disinfestation that facilitates profitable and sustainable production without the use of chemical fumigants. Anaerobic Soil Disinfestation (ASD), as well know as biodisinfestation, has been shown to control a wide range of soil-borne pathogens and nematodes in numerous crop production systems. This method implies soil wetting, incorporation of a easily decomposable carbon-rich organic amendment and covering with plastic film for several weeks. ASD with rapeseed cake (var. Tocatta, a glucosinolates-free variety) used as C-source was assayed in spring 2014, before the pepper crop establishment. The field experiment was conducted at the Agricultural Research Centre Finca La Orden (Southwestern Spain) and the treatments were: rapeseed cake (RCP); rapeseed cake without plastic cover (RC); control non-amendment (CP) and control non-amendment without plastic cover (C). The experimental design was a randomized complete block design with four replicates and a plot size of 5 x 5 m. On 26 March, rapeseed cake (1 kg·m-2) was incorporated into the soil with a rotovator. Biological probes with the inoculum were buried at 15 and 30-cm depth (biological probes were previously prepared with 100 g of disinfected soil inoculated with chlamydospores (chlam) of P. nicotianae P13 isolate [100 chlam·g-1 of soil] and wrapped in agryl cloth). Sprinkler irrigation was run until field capacity and the corresponding plots were covered with transparent plastic (PE 0.05 mm). On 6 May plastics were removed, the biological probes were dug out and a bioassay was established. One pepper seedling at the 2 to 4 true-leaves stage was transplanted in the soil from each biological probe. Plants were grown in a climatic chamber and disease symptoms were recorded every week during 2 months. Fragments of roots and crown of symptomatic plants were analyzed on NARPH media and soil from rizospheres was analyzed using carnation petals as baits. Results of “survival” were expressed as the percentage of soil samples where P. nicotianae was detected and results of “infectivity” were expressed as the percentage of diseased plants. No differences were detected in deep effect. Infectivity of P. nicotianae chlamydospores was successfully reduced in RCP treatment (4.2% of infectivity) compared with the controls (41.7% of infectivity). The pattern of survival was similar to infectivity observed by the bioassay: 21% of survival in RCP; 79% in CP; 83% in C and 87% in RC. Although ASD may be an effective alternative to chemical fumigants to pest management, more research is necessary to show their impact on the microbial community and chemistry of the soil.

Keywords: biodisinfestation, BSD, soil fumigant alternatives, organic amendments

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2145 Characterization of a Three-Electrodes Bioelectrochemical System from Mangrove Water and Sediments for the Reduction of Chlordecone in Martinique

Authors: Malory Jonata

Abstract:

Chlordecone (CLD) is an organochlorine pesticide used between 1971 and 1993 in both Guadeloupe and Martinique for the control of banana black weevil. The bishomocubane structure which characterizes this chemical compound led to high stability in organic matter and high persistence in the environment. Recently, researchers found that CLD can be degraded by isolated bacteria consortiums and, particularly, by bacteria such as Citrobacter sp 86 and Delsulfovibrio sp 86. Actually, six transformation product families of CLD are known. Moreover, the latest discovery showed that CLD was disappearing faster than first predicted in highly contaminated soil in Guadeloupe. However, the toxicity of transformation products is still unknown, and knowledge has to be deepened on the degradation ways and chemical characteristics of chlordecone and its transformation products. Microbial fuel cells (MFC) are electrochemical systems that can convert organic matter into electricity thanks to electroactive bacteria. These bacteria can exchange electrons through their membranes to solid surfaces or molecules. MFC have proven their efficiency as bioremediation systems in water and soils. They are already used for the bioremediation of several organochlorine compounds such as perchlorate, trichlorophenol or hexachlorobenzene. In this study, a three-electrodes system, inspired by MFC, is used to try to degrade chlordecone using bacteria from a mangrove swamp in Martinique. As we know, some mangrove bacteria are electroactive. Furthermore, the CLD rate seems to decline in mangrove swamp sediments. This study aims to prove that electroactive bacteria from a mangrove swamp in Martinique can degrade CLD thanks to a three-electrodes bioelectrochemical system. To achieve this goal, the tree-electrodes assembly has been connected to a potentiostat. The substrate used is mangrove water and sediments sampled in the mangrove swamp of La Trinité, a coastal city in Martinique, where CLD contamination has already been studied. Electroactive biofilms are formed by imposing a potential relative to Saturated Calomel Electrode using chronoamperometry. Moreover, their comportment has been studied by using cyclic voltametry. Biofilms have been studied under different imposed potentials, several conditions of the substrate and with or without CLD. In order to quantify the evolution of CLD rates in the substrate’s system, gas chromatography coupled with mass spectrometry (GC-MS) was performed on pre-treated samples of water and sediments after short, medium and long-term contact with the electroactive biofilms. Results showed that between -0,8V and -0,2V, the three-electrodes system was able to reduce the chemical in the substrate solution. The first GC-MS analysis result of samples spiked with CLD seems to reveal decreased CLD concentration over time. In conclusion, the designed bioelectrochemical system can provide the necessary conditions for chlordecone degradation. However, it is necessary to improve three-electrodes control settings in order to increase degradation rates. The biological pathways are yet to enlighten by biologicals analysis of electroactive biofilms formed in this system. Moreover, the electrochemical study of mangrove substrate gives new informations on the potential use of this substrate for bioremediation. But further studies are needed to a better understanding of the electrochemical potential of this environment.

Keywords: bioelectrochemistry, bioremediation, chlordecone, mangrove swamp

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2144 Effect of Oxygen Ion Irradiation on the Structural, Spectral and Optical Properties of L-Arginine Acetate Single Crystals

Authors: N. Renuka, R. Ramesh Babu, N. Vijayan

Abstract:

Ion beams play a significant role in the process of tuning the properties of materials. Based on the radiation behavior, the engineering materials are categorized into two different types. The first one comprises organic solids which are sensitive to the energy deposited in their electronic system and the second one comprises metals which are insensitive to the energy deposited in their electronic system. However, exposure to swift heavy ions alters this general behavior. Depending on the mass, kinetic energy and nuclear charge, an ion can produce modifications within a thin surface layer or it can penetrate deeply to produce long and narrow distorted area along its path. When a high energetic ion beam impinges on a material, it causes two different types of changes in the material due to the columbic interaction between the target atom and the energetic ion beam: (i) inelastic collisions of the energetic ion with the atomic electrons of the material; and (ii) elastic scattering from the nuclei of the atoms of the material, which is extremely responsible for relocating the atoms of matter from their lattice position. The exposure of the heavy ions renders the material return to equilibrium state during which the material undergoes surface and bulk modifications which depends on the mass of the projectile ion, physical properties of the target material, its energy, and beam dimension. It is well established that electronic stopping power plays a major role in the defect creation mechanism provided it exceeds a threshold which strongly depends on the nature of the target material. There are reports available on heavy ion irradiation especially on crystalline materials to tune their physical and chemical properties. L-Arginine Acetate [LAA] is a potential semi-organic nonlinear optical crystal and its optical, mechanical and thermal properties have already been reported The main objective of the present work is to enhance or tune the structural and optical properties of LAA single crystals by heavy ion irradiation. In the present study, a potential nonlinear optical single crystal, L-arginine acetate (LAA) was grown by slow evaporation solution growth technique. The grown LAA single crystal was irradiated with oxygen ions at the dose rate of 600 krad and 1M rad in order to tune the structural and optical properties. The structural properties of pristine and oxygen ions irradiated LAA single crystals were studied using Powder X- ray diffraction and Fourier Transform Infrared spectral studies which reveal the structural changes that are generated due to irradiation. Optical behavior of pristine and oxygen ions irradiated crystals is studied by UV-Vis-NIR and photoluminescence analyses. From this investigation we can concluded that oxygen ions irradiation modifies the structural and optical properties of LAA single crystals.

Keywords: heavy ion irradiation, NLO single crystal, photoluminescence, X-ray diffractometer

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2143 Thermo-Economic Evaluation of Sustainable Biogas Upgrading via Solid-Oxide Electrolysis

Authors: Ligang Wang, Theodoros Damartzis, Stefan Diethelm, Jan Van Herle, François Marechal

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Biogas production from anaerobic digestion of organic sludge from wastewater treatment as well as various urban and agricultural organic wastes is of great significance to achieve a sustainable society. Two upgrading approaches for cleaned biogas can be considered: (1) direct H₂ injection for catalytic CO₂ methanation and (2) CO₂ separation from biogas. The first approach usually employs electrolysis technologies to generate hydrogen and increases the biogas production rate; while the second one usually applies commercially-available highly-selective membrane technologies to efficiently extract CO₂ from the biogas with the latter being then sent afterward for compression and storage for further use. A straightforward way of utilizing the captured CO₂ is on-site catalytic CO₂ methanation. From the perspective of system complexity, the second approach may be questioned, since it introduces an additional expensive membrane component for producing the same amount of methane. However, given the circumstance that the sustainability of the produced biogas should be retained after biogas upgrading, renewable electricity should be supplied to drive the electrolyzer. Therefore, considering the intermittent nature and seasonal variation of renewable electricity supply, the second approach offers high operational flexibility. This indicates that these two approaches should be compared based on the availability and scale of the local renewable power supply and not only the technical systems themselves. Solid-oxide electrolysis generally offers high overall system efficiency, and more importantly, it can achieve simultaneous electrolysis of CO₂ and H₂O (namely, co-electrolysis), which may bring significant benefits for the case of CO₂ separation from the produced biogas. When taking co-electrolysis into account, two additional upgrading approaches can be proposed: (1) direct steam injection into the biogas with the mixture going through the SOE, and (2) CO₂ separation from biogas which can be used later for co-electrolysis. The case study of integrating SOE to a wastewater treatment plant is investigated with wind power as the renewable power. The dynamic production of biogas is provided on an hourly basis with the corresponding oxygen and heating requirements. All four approaches mentioned above are investigated and compared thermo-economically: (a) steam-electrolysis with grid power, as the base case for steam electrolysis, (b) CO₂ separation and co-electrolysis with grid power, as the base case for co-electrolysis, (c) steam-electrolysis and CO₂ separation (and storage) with wind power, and (d) co-electrolysis and CO₂ separation (and storage) with wind power. The influence of the scale of wind power supply is investigated by a sensitivity analysis. The results derived provide general understanding on the economic competitiveness of SOE for sustainable biogas upgrading, thus assisting the decision making for biogas production sites. The research leading to the presented work is funded by European Union’s Horizon 2020 under grant agreements n° 699892 (ECo, topic H2020-JTI-FCH-2015-1) and SCCER BIOSWEET.

Keywords: biogas upgrading, solid-oxide electrolyzer, co-electrolysis, CO₂ utilization, energy storage

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2142 Catalytic Ammonia Decomposition: Cobalt-Molybdenum Molar Ratio Effect on Hydrogen Production

Authors: Elvis Medina, Alejandro Karelovic, Romel Jiménez

Abstract:

Catalytic ammonia decomposition represents an attractive alternative due to its high H₂ content (17.8% w/w), a product stream free of COₓ, among others; however, challenges need to be addressed for its consolidation as an H₂ chemical storage technology, especially, those focused on the synthesis of efficient bimetallic catalytic systems, as an alternative to the price and scarcity of ruthenium, the most active catalyst reported. In this sense, from the perspective of rational catalyst design, adjusting the main catalytic activity descriptor, a screening of supported catalysts with different compositional settings of cobalt-molybdenum metals is presented to evaluate their effect on the catalytic decomposition rate of ammonia. Subsequently, a kinetic study on the supported monometallic Co and Mo catalysts, as well as on the bimetallic CoMo catalyst with the highest activity is shown. The synthesis of catalysts supported on γ-alumina was carried out using the Charge Enhanced Dry Impregnation (CEDI) method, all with a 5% w/w loading metal. Seeking to maintain uniform dispersion, the catalysts were oxidized and activated (In-situ activation) using a flow of anhydrous air and hydrogen, respectively, under the same conditions: 40 ml min⁻¹ and 5 °C min⁻¹ from room temperature to 600 °C. Catalytic tests were carried out in a fixed-bed reactor, confirming the absence of transport limitations, as well as an Approach to equilibrium (< 1 x 10⁻⁴). The reaction rate on all catalysts was measured between 400 and 500 ºC at 53.09 kPa NH3. The synergy theoretically (DFT) reported for bimetallic catalysts was confirmed experimentally. Specifically, it was observed that the catalyst composed mainly of 75 mol% cobalt proved to be the most active in the experiments, followed by the monometallic cobalt and molybdenum catalysts, in this order of activity as referred to in the literature. A kinetic study was performed at 10.13 – 101.32 kPa NH3 and at four equidistant temperatures between 437 and 475 °C the data were adjusted to an LHHW-type model, which considered the desorption of nitrogen atoms from the active phase surface as the rate determining step (RDS). The regression analysis were carried out under an integral regime, using a minimization algorithm based on SLSQP. The physical meaning of the parameters adjusted in the kinetic model, such as the RDS rate constant (k₅) and the lumped adsorption constant of the quasi-equilibrated steps (α) was confirmed through their Arrhenius and Van't Hoff-type behavior (R² > 0.98), respectively. From an energetic perspective, the activation energy for cobalt, cobalt-molybdenum, and molybdenum was 115.2, 106.8, and 177.5 kJ mol⁻¹, respectively. With this evidence and considering the volcano shape described by the ammonia decomposition rate in relation to the metal composition ratio, the synergistic behavior of the system is clearly observed. However, since characterizations by XRD and TEM were inconclusive, the formation of intermetallic compounds should be still verified using HRTEM-EDS. From this point onwards, our objective is to incorporate parameters into the kinetic expressions that consider both compositional and structural elements and explore how these can maximize or influence H₂ production.

Keywords: CEDI, hydrogen carrier, LHHW, RDS

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2141 Improvement of the Traditional Techniques of Artistic Casting through the Development of Open Source 3D Printing Technologies Based on Digital Ultraviolet Light Processing

Authors: Drago Diaz Aleman, Jose Luis Saorin Perez, Cecile Meier, Itahisa Perez Conesa, Jorge De La Torre Cantero

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Traditional manufacturing techniques used in artistic contexts compete with highly productive and efficient industrial procedures. The craft techniques and associated business models tend to disappear under the pressure of the appearance of mass-produced products that compete in all niche markets, including those traditionally reserved for the work of art. The surplus value derived from the prestige of the author, the exclusivity of the product or the mastery of the artist, do not seem to be sufficient reasons to preserve this productive model. In the last years, the adoption of open source digital manufacturing technologies in small art workshops can favor their permanence by assuming great advantages such as easy accessibility, low cost, and free modification, adapting to specific needs of each workshop. It is possible to use pieces modeled by computer and made with FDM (Fused Deposition Modeling) 3D printers that use PLA (polylactic acid) in the procedures of artistic casting. Models printed by PLA are limited to approximate minimum sizes of 3 cm, and optimal layer height resolution is 0.1 mm. Due to these limitations, it is not the most suitable technology for artistic casting processes of smaller pieces. An alternative to solve size limitation, are printers from the type (SLS) "selective sintering by laser". And other possibility is a laser hardens, by layers, metal powder and called DMLS (Direct Metal Laser Sintering). However, due to its high cost, it is a technology that is difficult to introduce in small artistic foundries. The low-cost DLP (Digital Light Processing) type printers can offer high resolutions for a reasonable cost (around 0.02 mm on the Z axis and 0.04 mm on the X and Y axes), and can print models with castable resins that allow the subsequent direct artistic casting in precious metals or their adaptation to processes such as electroforming. In this work, the design of a DLP 3D printer is detailed, using backlit LCD screens with ultraviolet light. Its development is totally "open source" and is proposed as a kit made up of electronic components, based on Arduino and easy to access mechanical components in the market. The CAD files of its components can be manufactured in low-cost FDM 3D printers. The result is less than 500 Euros, high resolution and open-design with free access that allows not only its manufacture but also its improvement. In future works, we intend to carry out different comparative analyzes, which allow us to accurately estimate the print quality, as well as the real cost of the artistic works made with it.

Keywords: traditional artistic techniques, DLP 3D printer, artistic casting, electroforming

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2140 Application of Nanofiltration Membrane for River Nile Water Treatment in Egypt

Authors: Tarek S. Jamil, Ahmed M. Shaban, Eman S. Mansor, Ahmed A. Karim, Azza M. Abdel Aty

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In this manuscript, 35 m³/d NF unit was designed and applied for surface water treatment of river Nile water. Intake of Embaba drinking water treatment plant was selected to install that unit at since; it has the lowest water quality index value through the examined 6 sites in greater Cairo area. The optimized operating conditions were feed and permeate flow, 40 and 7 m³/d, feed pressure 2.68 bar and flux rate 37.7 l/m2.h. The permeate water was drinkable according to Egyptian Ministerial decree 458/2007 for the tested parameters (physic-chemical, heavy metals, organic, algal, bacteriological and parasitological). Single and double sand filters were used as pretreatment for NF membranes, but continuous clogging for sand filters moved us to use UF membrane as pretreatment for NF membrane.

Keywords: River Nile, NF membrane, pretreatment, UF membrane, water quality

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2139 Reduction of Content of Lead and Zinc from Wastewater by Using of Metallurgical Waste

Authors: L. Rozumová, J. Seidlerová

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The aim of this paper was to study the sorption properties of a blast furnace sludge used as the sorbent. The sorbent was utilized for reduction of content of lead and zinc ions. Sorbent utilized in this work was obtained from metallurgical industry from process of wet gas treatment in iron production. The blast furnace sludge was characterized by X-Ray diffraction, scanning electron microscopy, and XRFS spectroscopy. Sorption experiments were conducted in batch mode. The sorption of metal ions in the sludge was determined by correlation of adsorption isotherm models. The adsorption of lead and zinc ions was best fitted with Langmuir adsorption isotherms. The adsorption capacity of lead and zinc ions was 53.8 mg.g-1 and 10.7 mg.g-1, respectively. The results indicated that blast furnace sludge could be effectively used as secondary material and could be also employed as a low-cost alternative for the removal of heavy metals ions from wastewater.

Keywords: blast furnace sludge, lead, zinc, sorption

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2138 Comparative Assessment of Heavy Metals Influence on Growth of Silver Catfish (Chrysichthys nigrodigitatus) and Tilapia Fish (Oreochromis niloticus) Collected from Brackish and Freshwater, South-West, Nigeria

Authors: Atilola O. Abidemi-Iromini, Oluayo A. Bello-Olusoji, Immanuel A. Adebayo

Abstract:

Ecological studies were carried out in Asejire Reservoir (AR) and Lagos Lagoon (LL), Southwest Nigeria from January 2012 to December 2013 to determine the health status of Chrysichthys nigrodigitatus (CN) and Oreochromis niloticus (ON). The fish species samples were collected every month, these were separated into sexes, and growth pattern {length, (cm); weight (g), Isometric index, condition factor} were measured. Heavy metals (lead (Pb), iron (Fe), zinc (Zn), copper (Cu), and chromium (Cr) in ppm concentrations were also determined while bacteria occurrence(s), (load and prevalence) on fish skins, gills and intestine in the two ecological zones were determined. The fish ratio collected is in range with normal aquatic (1: 1+) male: female ratio. Growth assessment determined revealed no significant difference in length and weight in O. niloticus between locations, but a significant difference in weight occurred in C. nigrodigitatus between locations, with a higher weight (196.06 ±0.16 g) from Lagos Lagoon. Highest condition factor (5.25) was recorded in Asejire Reservoir O. niloticus, (ARON); and lowest condition factor (1.64) was observed in Asejire Reservoir C. nigrodigitatus (ARCN); as this indicated a negative allometric value which is normal in Bagridae species because it increases more in Length to weight gain than for the Cichlidae growth status. Normal growth rate (K > 1) occurred between sexes, with the male species having higher K - factors than female species within locations, between locations, between species, and within species, except for female C. nigrodigitatus having higher condition factor (K = 1.75) than male C. nigrodigitatus (K = 1.54) in Asejire Reservoir. The highest isometric value (3.05) was recorded in Asejire Reservoir O. niloticus and lowest in Lagos Lagoon C. nigrodigitatus. Male O. niloticus from Asejire Reservoir had highest isometric value, and O. niloticus species had higher condition factor which ranged between isometric (b ≤ 3) and positive allometric (b > 3), hence, denoted robustness of fish to grow more in weight than in length; while C. nigrodigitatus fish has negative allometric (b < 3) indicating fish add more length than in weight on growth. The status of condition factors and isometric values obtained is species-specific, and environmental influence, food availability or reproduction factor may as well be contributing factors. The concentrations of heavy metals in fish flesh revealed that Zn (6.52 ±0.82) had the highest, while Cr (0.01±0.00) was ranked lowest; for O. niloticus in Asejire Reservoir. In Lagos Lagoon, heavy metals concentration level revealed that O. niloticus flesh had highest in Zn (4.71±0.25) and lowest in Pb (0.01±0.00). Lagos Lagoon C. nigrodigitatus heavy metal concentration level revealed Zn (9.56±0.96) had highest, while Cr (0.06±0.01) had lowest; and Asejire Reservoir C. nigrodigitatus heavy metal level revealed that Zn (8.26 ±0.74) had highest, and Cr (0.08±0.00) had lowest. In all, Zinc (Zn) was top-ranked in level among species.

Keywords: Oreochromis niloticus, growth status, Chrysichthys nigrodigitatus, environments, heavy metals

Procedia PDF Downloads 106
2137 A Review of Magnesium Air Battery Systems: From Design Aspects to Performance Characteristics

Authors: R. Sharma, J. K. Bhatnagar, Poonam, R. C. Sharma

Abstract:

Metal–air batteries have been designed and developed as an essential source of electric power to propel automobiles, make electronic equipment functional, and use them as the source of power in remote areas and space. High energy and power density, lightweight, easy recharge capabilities, and low cost are essential features of these batteries. Both primary and rechargeable magnesium air batteries are highly promising. Our focus will be on the basics of electrode reaction kinetics of Mg–air cell in this paper. Design and development of Mg or Mg alloys as anode materials, design and composition of air cathode, and promising electrolytes for Mg–air batteries have been reviewed. A brief note on the possible and proposed improvements in design and functionality is also incorporated. This article may serve as the primary and premier document in the critical research area of Mg-air battery systems.

Keywords: air cathode, battery design, magnesium air battery, magnesium anode, rechargeable magnesium air battery

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2136 Anaerobic Digestion of Spent Wash through Biomass Development for Obtaining Biogas

Authors: Sachin B. Patil, Narendra M. Kanhe

Abstract:

A typical cane molasses based distillery generates 15 L of waste water per liter of alcohol production. Distillery waste with COD of over 1,00,000 mg/l and BOD of over 30,000 mg/l ranks high amongst the pollutants produced by industries both in magnitude and strength. Treatment and safe disposal of this waste is a challenging task since long. The high strength of waste water renders aerobic treatment very expensive and physico-chemical processes have met with little success. Thermophilic anaerobic treatment of distillery waste may provide high degree of treatment and better recovery of biogas. It may prove more feasible in most part of tropical country like India, where temperature is suitable for thermophilic micro-organisms. Researchers have reviled that, at thermophilic conditions due to increased destruction rate of organic matter and pathogens, higher digestion rate can be achieved. Literature review reveals that the variety of anaerobic reactors including anaerobic lagoon, conventional digester, anaerobic filter, two staged fixed film reactors, sludge bed and granular bed reactors have been studied, but little attempts have been made to evaluate the usefulness of thermophilic anaerobic treatment for treating distillery waste. The present study has been carried out, to study feasibility of thermophilic anaerobic digestion to facilitate the design of full scale reactor. A pilot scale anaerobic fixed film fixed bed reactor (AFFFB) of capacity 25m3 was designed, fabricated, installed and commissioned for thermophilic (55-65°C) anaerobic digestion at a constant pH of 6.5-7.5, because these temperature and pH ranges are considered to be optimum for biogas recovery from distillery wastewater. In these conditions, working of the reactor was studied, for different hydraulic retention times (HRT) (0.25days to 12days) and variable organic loading rates (361.46 to 7.96 Kg COD/m3d). The parameters such as flow rate and temperature, various chemical parameters such as pH, chemical oxygen demands (COD), biogas quantity, and biogas composition were regularly monitored. It was observed that, with the increase in OLR, the biogas production was increased, but the specific biogas yield decreased. Similarly, with the increase in HRT, the biogas production got decrease, but the specific biogas yield was increased. This may also be due to the predominant activity of acid producers to methane producers at the higher substrate loading rates. From the present investigation, it can be concluded that for thermophilic conditions the highest COD removal percentage was obtained at an HRT of 08 days, thereafter it tends to decrease from 8 to 12 days HRT. There is a little difference between COD removal efficiency of 8 days HRT (74.03%) and 5 day HRT (78.06%), therefore it would not be feasible to increase the reactor size by 1.5 times for mere 4 percent more efficiency. Hence, 5 days HRT is considered to be optimum, at which the biogas yield was 98 m3/day and specific biogas yield was 0.385 CH4 m3/Kg CODr.

Keywords: spent wash, anaerobic digestion, biomass, biogas

Procedia PDF Downloads 254
2135 A Unified Model for Orotidine Monophosphate Synthesis: Target for Inhibition of Growth of Mycobacterium tuberculosis

Authors: N. Naga Subrahmanyeswara Rao, Parag Arvind Deshpande

Abstract:

Understanding nucleotide synthesis reaction of any organism is beneficial to know the growth of it as in Mycobacterium tuberculosis to design anti TB drug. One of the reactions of de novo pathway which takes place in all organisms was considered. The reaction takes places between phosphoribosyl pyrophosphate and orotate catalyzed by orotate phosphoribosyl transferase and divalent metal ion gives orotdine monophosphate, a nucleotide. All the reaction steps of three experimentally proposed mechanisms for this reaction were considered to develop kinetic rate expression. The model was validated using the data for four organisms. This model could successfully describe the kinetics for the reported data. The developed model can serve as a reliable model to describe the kinetics in new organisms without the need of mechanistic determination. So an organism-independent model was developed.

Keywords: mechanism, nucleotide, organism, tuberculosis

Procedia PDF Downloads 317
2134 Nanometric Sized Ions for Colloidal Stabilization

Authors: Pierre Bauduin, Coralie Pasquier, Alban Jonchere, Luc Girard, Olivier Diat

Abstract:

Ionic species, such as polyoxometalates (POMs) or (metal-) boron clusters, are at the frontier between ions and (charged-)colloids due to their nm size. We show here that the large size and low charge density of POMs, compared to classical ions, are responsible for a peculiar behavior called “super-chaotropy”. This property refers to the strong propensity of nano-ions to adsorb at neutral polar interfaces, via non-specific interactions. It has strong effects on phase transitions in soft matter and can, for example, stabilize colloidal systems such as surfactant foams. A simple way for evaluating and classifying nano-ions, such as POMs, according to their super-chaotropy is proposed here. The super-chaotropic behavior of nano-ions opens many opportunities in separation science, catalysis, and for the design of nanostructured hybrid materials.

Keywords: colloids, foams, surfactant, salt effect, colloidal stability, nano-ions

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2133 Studies of the Reaction Products Resulted from Glycerol Electrochemical Conversion under Galvanostatic Mode

Authors: Ching Shya Lee, Mohamed Kheireddine Aroua, Wan Mohd Ashri Wan Daud, Patrick Cognet, Yolande Peres, Mohammed Ajeel

Abstract:

In recent years, with the decreasing supply of fossil fuel, renewable energy has received a significant demand. Biodiesel which is well known as vegetable oil based fatty acid methyl ester is an alternative fuel for diesel. It can be produced from transesterification of vegetable oils, such as palm oil, sunflower oil, rapeseed oil, etc., with methanol. During the transesterification process, crude glycerol is formed as a by-product, resulting in 10% wt of the total biodiesel production. To date, due to the fast growing of biodiesel production in worldwide, the crude glycerol supply has also increased rapidly and resulted in a significant price drop for glycerol. Therefore, extensive research has been developed to use glycerol as feedstock to produce various added-value chemicals, such as tartronic acid, mesoxalic acid, glycolic acid, glyceric acid, propanediol, acrolein etc. The industrial processes that usually involved are selective oxidation, biofermentation, esterification, and hydrolysis. However, the conversion of glycerol into added-value compounds by electrochemical approach is rarely discussed. Currently, the approach is mainly focused on the electro-oxidation study of glycerol under potentiostatic mode for cogenerating energy with other chemicals. The electro-organic synthesis study from glycerol under galvanostatic mode is seldom reviewed. In this study, the glycerol was converted into various added-value compounds by electrochemical method under galvanostatic mode. This work aimed to study the possible compounds produced from glycerol by electrochemical technique in a one-pot electrolysis cell. The electro-organic synthesis study from glycerol was carried out in a single compartment reactor for 8 hours, over the platinum cathode and anode electrodes under acidic condition. Various parameters such as electric current (1.0 A to 3.0 A) and reaction temperature (27 °C to 80 °C) were evaluated. The products obtained were characterized by using gas chromatography-mass spectroscopy equipped with an aqueous-stable polyethylene glycol stationary phase column. Under the optimized reaction condition, the glycerol conversion achieved as high as 95%. The glycerol was successfully converted into various added-value chemicals such as ethylene glycol, glycolic acid, glyceric acid, acetaldehyde, formic acid, and glyceraldehyde; given the yield of 1%, 45%, 27%, 4%, 0.7% and 5%, respectively. Based on the products obtained from this study, the reaction mechanism of this process is proposed. In conclusion, this study has successfully converted glycerol into a wide variety of added-value compounds. These chemicals are found to have high market value; they can be used in the pharmaceutical, food and cosmetic industries. This study effectively opens a new approach for the electrochemical conversion of glycerol. For further enhancement on the product selectivity, electrode material is an important parameter to be considered.

Keywords: biodiesel, glycerol, electrochemical conversion, galvanostatic mode

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2132 SEM and FTIR Study of Adsorption Characteristics Using Xanthate (KIBX) Synthesized Collectors on Sphalerite

Authors: Zohir Nedjar, Djamel Barkat

Abstract:

Thiols such as alkyl xanthates are commonly used as collectors in the froth flotation of sulfide minerals. Under the concen-tration, pH and Eh conditions relevant to flotation, the thermodynamically favoured reaction between a thiol and a sulfide mineral surface is charge transfechemisorption in which the collector becomes bonded to metal atoms in the outermost layer of the sulfide lattice. The adsorption of potassium isobutyl xanthate (KIBX 3.10-3M) on sphalerite has been also studied using electrochemical potential, FTIR technique and SEM. Non activated minerals and minerals activated with copper sulfate (10-4 M) and copper nitrate (10-4 M) have been investigated at pH = 7.5. Surface species have been identified by FTIR and correlated with SEM. After copper sulfate activation, copper xanthate exists on all of the minerals studied. Neutral pH is most favorable for potassium isobutyl xanthate adsorption on sphalerite.

Keywords: flotation, adsorption, xanthate KIBX, sphalerite

Procedia PDF Downloads 292
2131 Energy Resilience in the Sustainable Built Environment: the Use of Biogas to Reduce Vulnerabilities and Risks

Authors: Janaina Camile Pasqual Lofhagen, David Savarese, Veronika Vazhnik

Abstract:

The built environment is considered as a key element in transitioning to clean energy, needed to create resilient buildings and cities, enhance their adaptability to changes, and pursue energy saving. For such energy transition, this paper presents biogas as one of the sustainable sources of energy, as it is produced from organic materials often available in both urban and rural areas and can be converted into electrical and thermal energy, or into vehicular energies fuel. The resilience benefits of this fuel is being a localized alternative energy, and also provides tangible benefits for water, air, and soil quality. Through bibliographic and empirical research, this study analyzed the biogas potential and applications in Brazil and in the U.S. The results indicated that biogas emits 85% less CO2 to the atmosphere compared to diesel and could supply 40% of domestic electricity demand and 70% of diesel consumption in Brazil, with a similar scenario for the U.S.

Keywords: resilience, sustainability, built environment, energy transition, biogas.

Procedia PDF Downloads 78
2130 Community That Supports Agriculture: A Strategy to Help Family Farmers by Brazil

Authors: Feguens Pierre

Abstract:

For a long time, Latin American countries have been introduced to numerous programs and public policies focused on improving the agricultural sector in terms of sustainability, as well as in terms of the relationship between producers and consumers, aimed at improve farmers' income and allow consumers to have access to quality products, encouraging alternative agriculture. Therefore, in Brazil, among the programs, that is, the public policies that have encompassed alternative agriculture, in other words organic, we have the Community that Supports Agriculture (CSA) which ensures a relationship between producers and consumers focused on a solidarity economy, also protecting the environment. This work aims to understand the importance of the Community Supporting Agriculture (CSA), as well as the challenges it has faced over time. Particularly in the case of Brazil. A bibliographic methodology was used to theoretically analyze through several books and articles the performance of (CSA) in Brazil.

Keywords: community supporting agriculture, importance, challenges, producer, consumer

Procedia PDF Downloads 40
2129 Calculus of Turbojet Performances for Ideal Case

Authors: S. Bennoud, S. Hocine, H. Slme

Abstract:

Developments in turbine cooling technology play an important role in increasing the thermal efficiency and the power output of recent gas turbines, in particular the turbojets. Advanced turbojets operate at high temperatures to improve thermal efficiency and power output. These temperatures are far above the permissible metal temperatures. Therefore, there is a critical need to cool the blades in order to give theirs a maximum life period for safe operation. The focused objective of this work is to calculate the turbojet performances, as well as the calculation of turbine blades cooling. The developed application able the calculation of turbojet performances to different altitudes in order to find a point of optimal use making possible to maintain the turbine blades at an acceptable maximum temperature and to limit the local variations in temperatures in order to guarantee their integrity during all the lifespan of the engine.

Keywords: brayton cycle, turbine blades cooling, turbojet cycle, turbojet performances

Procedia PDF Downloads 208
2128 The Environmental Concerns in Coal Mining, and Utilization in Pakistan

Authors: S. R. H. Baqri, T. Shahina, M. T. Hasan

Abstract:

Pakistan is facing acute shortage of energy and looking for indigenous resources of the energy mix to meet the short fall. After the discovery of huge coal resources in Thar Desert of Sindh province, focus has shifted to coal power generation. The government of Pakistan has planned power generation of 20000 MW on coal by the year 2025. This target will be achieved by mining and power generation in Thar coal Field and on imported coal in different parts of Pakistan. Total indigenous coal production of around 3.0 million tons is being utilized in brick kilns, cement and sugar industry. Coal-based power generation is only limited to three units of 50 MW near Hyderabad from nearby Lakhra Coal field. The purpose of this presentation is to identify and redressal of issues of coal mining and utilization with reference to environmental hazards. Thar coal resource is estimated at 175 billion tons out of a total resource estimate of 184 billion tons in Pakistan. Coal of Pakistan is of Tertiary age (Palaeocene/Eocene) and classified from lignite to sub-bituminous category. Coal characterization has established three main pollutants such as Sulphur, Carbon dioxide and Methane besides some others associated with coal and rock types. The element Sulphur occurs in organic as well as inorganic forms associated with coals as free sulphur and as pyrite, gypsum, respectively. Carbon dioxide, methane and minerals are mostly associated with fractures, joints local faults, seatearth and roof rocks. The abandoned and working coal mines give kerosene odour due to escape of methane in the atmosphere. While the frozen methane/methane ices in organic matter rich sediments have also been reported from the Makran coastal and offshore areas. The Sulphur escapes into the atmosphere during mining and utilization of coal in industry. The natural erosional processes due to rivers, streams, lakes and coastal waves erode over lying sediments allowing pollutants to escape into air and water. Power plants emissions should be controlled through application of appropriate clean coal technology and need to be regularly monitored. Therefore, the systematic and scientific studies will be required to estimate the quantity of methane, carbon dioxide and sulphur at various sites such as abandoned and working coal mines, exploratory wells for coal, oil and gas. Pressure gauges on gas pipes connecting the coal-bearing horizons will be installed on surface to know the quantity of gas. The quality and quantity of gases will be examined according to the defined intervals of times. This will help to design and recommend the methods and procedures to stop the escape of gases into atmosphere. The element of Sulphur can be removed partially by gravity and chemical methods after grinding and before industrial utilization of coal.

Keywords: atmosphere, coal production, energy, pollutants

Procedia PDF Downloads 416
2127 Performance of an Anaerobic Baffled Reactor (ABR) during Start-Up Period

Authors: D. M. Bassuney, W. A. Ibrahim, Medhat A. E. Moustafa

Abstract:

Appropriate start-up of an anaerobic baffled reactor (ABR) is considered to be the most delicate and important issue in the anaerobic process, and depends on several factors such as wastewater composition, reactor configuration, inoculum and operating conditions. In this work, the start-up performance of an ABR with working volume of 30 liters, fed continuously with synthetic food industrial wastewater along with semi-batch study to measure the methangenic activity by specific methanogenic activity (SMA) test were carried out at various organic loading rates (OLRs) to determine the best OLR used to start up the reactor. The comparison was based on COD removal efficiencies, start-up time, pH stability and methane production. An OLR of 1.8 Kg COD/m3d (5400 gCOD/m3 and 3 days HRT) showed best overall performance with COD removal efficiency of 94.44% after four days from the feeding and methane production of 3802 ml/L with an overall SMA of 0.36 gCH4-COD/gVS.d

Keywords: anaerobic baffled reactor, anaerobic reactor start-up, food industrial wastewater, specific methanogenic activity

Procedia PDF Downloads 375
2126 Spin-Polarized Structural, Electronic and Magnetic Properties of Intermetallic Dy2Ni2Pb from Computational Study

Authors: O. Arbouche, Y. Benallou, K. Amara

Abstract:

We report a first-principles study of structural, electronic and magnetic properties of ternary plumbides (rare earth-transition metal-Plumb) Dy2Ni2Pb crystallizes with the orthorhombic structure of the Mn2AlB2 type (space group Cmmm), were studied by means of the full-relativistic version of the full-potential augmented plane wave plus local orbital method within the frame work of spin-polarized density functional theory (SP-DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA). We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, total densities of states and magnetic properties. The calculated total magnetic moment is found to be equal to 9.52 μB.

Keywords: spin-polarized, magnetic properties, Dy2Ni2Pb, Density functional theory

Procedia PDF Downloads 282