Search results for: chemical phase
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 8363

Search results for: chemical phase

7193 Comparison of Tribological Properties of TiO₂, ZrO₂ and TiO₂–ZrO₂ Composite Films Prepared by Sol–Gel Method

Authors: O. Çomaklı, M. Yazıcı, T. Yetim, A. F. Yetim, A. Çelik

Abstract:

In this study, TiO₂, ZrO₂, and TiO₂–ZrO₂ composite films were coated on Cp-Ti substrates by sol-gel method. Structures of uncoated and coated samples were investigated by X-ray diffraction and SEM. XRD data identified anatase phase in TiO₂ coated samples and tetragonal zirconia phase in ZrO₂ coated samples while both of anatase and tetragonal zirconia phases in TiO₂–ZrO₂ composite films. The mechanical and wear properties of samples were investigated using micro hardness, pin-on-disk tribotester, and 3D profilometer. The best wear resistance was obtained from TiO₂–ZrO₂ composite films. This can be attributed to their high surface hardness, low surface roughness and high thickness of the film.

Keywords: sol-gel, TiO₂, ZrO₂, TiO₂–ZrO₂, composite films, wear

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7192 Selective Separation of Amino Acids by Reactive Extraction with Di-(2-Ethylhexyl) Phosphoric Acid

Authors: Alexandra C. Blaga, Dan Caşcaval, Alexandra Tucaliuc, Madalina Poştaru, Anca I. Galaction

Abstract:

Amino acids are valuable chemical products used in in human foods, in animal feed additives and in the pharmaceutical field. Recently, there has been a noticeable rise of amino acids utilization throughout the world to include their use as raw materials in the production of various industrial chemicals: oil gelating agents (amino acid-based surfactants) to recover effluent oil in seas and rivers and poly(amino acids), which are attracting attention for biodegradable plastics manufacture. The amino acids can be obtained by biosynthesis or from protein hydrolysis, but their separation from the obtained mixtures can be challenging. In the last decades there has been a continuous interest in developing processes that will improve the selectivity and yield of downstream processing steps. The liquid-liquid extraction of amino acids (dissociated at any pH-value of the aqueous solutions) is possible only by using the reactive extraction technique, mainly with extractants of organophosphoric acid derivatives, high molecular weight amines and crown-ethers. The purpose of this study was to analyse the separation of nine amino acids of acidic character (l-aspartic acid, l-glutamic acid), basic character (l-histidine, l-lysine, l-arginine) and neutral character (l-glycine, l-tryptophan, l-cysteine, l-alanine) by reactive extraction with di-(2-ethylhexyl)phosphoric acid (D2EHPA) dissolved in butyl acetate. The results showed that the separation yield is controlled by the pH value of the aqueous phase: the reactive extraction of amino acids with D2EHPA is possible only if the amino acids exist in aqueous solution in their cationic forms (pH of aqueous phase below the isoeletric point). The studies for individual amino acids indicated the possibility of selectively separate different groups of amino acids with similar acidic properties as a function of aqueous solution pH-value: the maximum yields are reached for a pH domain of 2–3, then strongly decreasing with the pH increase. Thus, for acidic and neutral amino acids, the extraction becomes impossible at the isolelectric point (pHi) and for basic amino acids at a pH value lower than pHi, as a result of the carboxylic group dissociation. From the results obtained for the separation from the mixture of the nine amino acids, at different pH, it can be observed that all amino acids are extracted with different yields, for a pH domain of 1.5–3. Over this interval, the extract contains only the amino acids with neutral and basic character. For pH 5–6, only the neutral amino acids are extracted and for pH > 6 the extraction becomes impossible. Using this technique, the total separation of the following amino acids groups has been performed: neutral amino acids at pH 5–5.5, basic amino acids and l-cysteine at pH 4–4.5, l-histidine at pH 3–3.5 and acidic amino acids at pH 2–2.5.

Keywords: amino acids, di-(2-ethylhexyl) phosphoric acid, reactive extraction, selective extraction

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7191 Microbioreactor System for Cell Behavior Analysis Focused on Nerve Tissue Engineering

Authors: Yusser Olguín, Diego Benavente, Fernando Dorta, Nicole Orellana, Cristian Acevedo

Abstract:

One of the greatest challenges of tissue engineering is the generation of materials in which the highest possible number of conditions can be incorporated to stimulate the proliferation and differentiation of cells, which will be transformed together with the material into new functional tissue. In this sense, considering the properties of microfluidics and its relationship with cellular micro-environments, the possibility of controlling flow patterns and the ability to design diverse patterns in the chips, a microfluidic cell culture system can be established as a means for the evaluation of the effect of different parameters in a controlled and precise manner. Specifically in relation to the study and development of alternatives in peripheral nervous tissue engineering, it is necessary to consider different physical and chemical neurotrophic stimuli that promote cell growth and differentiation. Chemical stimuli include certain vitamins, glucocorticoids, gangliosides, and growth factors, while physical stimuli include topological stimuli, mechanical forces of the cellular environment and electrical stimulation. In this context, the present investigation shows the results of cell stimulation in a microbioreactor using electrical and chemical stimuli, where the differentiation of PC12 cells as a neuronal model is evidenced by neurite expression, dependent on the stimuli and their combination. The results were analysed with a multi-factor statistical approach, showing several relationships and dependencies between different parameters. Chip design, operating parameters and concentrations of neurotrophic chemical factors were found to be preponderant, based on the characteristics of the electrical stimuli.

Keywords: microfluidics, nerve tissue engineering, microbioreactor, electrical stimuli

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7190 Phytochemical Profile of Ripe Juniperus excelsa M. Bieb. Galbuli from Bulgaria

Authors: S. Stankov, H. Fidan, N. Petkova, M. Stoyanova, Tz. Radoukova, A. Stoyanova

Abstract:

The aim of this study was to evaluate the chemical composition of ripe Juniperus excelsa M. Bieb. galbuli (female cones) collected from "Izgoraloto Gyune" Reserve in Krichim, Bulgaria. The moisture (36.88%), abs. weight 693.96 g/1000 pcs., and the ash content (10.57%) of ripe galbuli were determined. Lipid fraction (9.12%), cellulose (13.54%), protein (13.64%), and total carbohydrates (31.20%) were evaluated in the ripe galbuli. It was found that the ripe galbuli contained glucose (4.00%) and fructose (4.25%), but disaccharide sucrose was not identified. The main macro elements presented in the sample were K (8390.00 mg/kg), Ca (4596.00 g/kg), Mg (837.72 mg/kg), followed by Na (7.69 mg/kg); while the detected microelements consisted of Zn (8.51 mg/kg), Cu (4.66 mg/kg), Mn (3.65 mg/kg), Fe (3.26 mg/kg), Cr (3.00 mg/kg), Cd (< 0.1 mg/kg), and Pb (0.01 mg/kg).

Keywords: chemical composition, Juniperus excelsa M. Bieb, minerals, ripe galbuli

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7189 An Easy Approach for Fabrication of Macroporous Apatite-Based Bone Cement Used As Potential Trabecular Bone Substitute

Authors: Vimal Kumar Dewangan, T. S. Sampath Kumar, Mukesh Doble, Viju Daniel Varghese

Abstract:

The apatite-based, i.e., calcium-deficient hydroxyapatite (CDHAp) bone cement is well-known potential bone graft/substitute in orthopaedics due to its similar chemical composition with natural bone minerals. Therefore, an easy approach was attempted to fabricate the apatite-based (CDHAp) bone cement with improved injectability, bioresorbability, and macroporosity. In this study, the desired bone cement was developed by mixing the solid phase (consisting of wet chemically synthesized nanocrystalline hydroxyapatite and commercially available (synthetic) tricalcium phosphate) and the liquid phase (consisting of cement binding accelerator with few biopolymers in a dilute acidic solution) along with a liquid porogen as polysorbate or a solid porogen as mannitol (for comparison) in an optimized liquid-to-powder ratio. The fabricated cement sets within clinically preferred setting time (≤20 minutes) are better injectable (>70%) and also stable at ~7.3-7.4 (physiological pH). The CDHAp phased bone cement was resulted by immersing the fabricated after-set cement in phosphate buffer solution and other similar artificial body fluids and incubated at physiological conditions for seven days, confirmed through the X-ray diffraction and Fourier transform-infrared spectroscopy analyses. The so-formed synthetic apatite-based bone cement holds the acceptable compressive strength (within the range of trabecular bone) with average interconnected pores size falls in a macropores range (~50-200μm) inside the cement, verified by scanning electron microscopy (SEM), mercury intrusion porosimetry and micro-CT analysis techniques. Also, it is biodegradable (degrades ~19-22% within 10-12 weeks) when incubated in artificial body fluids under physiological conditions. The biocompatibility study of the bone cement, when incubated with MG63 cells, shows a significant increase in the cell viability after 3rd day of incubation compared with the control, and the cells were well-attached and spread completely on the surface of the bone cement, confirmed through SEM and fluorescence microscopy analyses. With this all, we can conclude that the developed synthetic macroporous apatite-based bone cement may have the potential to become promising material used as a trabecular bone substitute.

Keywords: calcium deficient hydroxyapatite, synthetic apatite-based bone cement, injectability, macroporosity, trabecular bone substitute

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7188 Performance of Bimetallic Catalyst in the Oxidation of Volatile Organic Compounds

Authors: Faezeh Aghazadeh

Abstract:

The catalytic activity of Pt/γ-Al₂O₃ and Pt-Fe/γ-Al₂O₃ catalysts was investigated to bring about the complete oxidation of 2-Propanol. Among them, Pt-Fe/γ-Al₂O₃ was found to be the most promising catalyst based on activity. The catalysts were characterized by (XRD), (SEM), (TEM) and ICP-AES techniques. Iron loadings on Pt/γ-Al₂O₃ had a great effect on catalytic activity, and Pt-Fe/γ-Al₂O₃ (1.75 wt% Fe) catalyst at calcination temperature 300°C was observed to be the most active, which might be contributed to the favorable synergetic effects between Pt and Fe, high activity and the well-dispersed bimetallic phase. The combustion of 2-Propanol in the vapor phase was carried out in a conventional flow U-shape glass reactor used in the differential mode at atmospheric pressure. 2-Propanol was analyzed by a gas chromatograph VARIAN 3800 CX equipped with an FID. As observed, better performance and activity were observed for Pt-Fe/Al₂O₃ bimetallic catalyst. These results indicate that the high dispersion on support gives a positive effect on catalytic activity.

Keywords: volatile organic compounds, bimetallic catalyst, catalytic activity, low temperature

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7187 Benthic Cover in Coral Reef Environments under Influence of Submarine Groundwater Discharges

Authors: Arlett A. Rosado-Torres, Ismael Marino-Tapia

Abstract:

Changes in benthic cover of coral dominated systems to macroalgae dominance are widely studied worldwide. Watershed pollutants are potentially as important as overfishing causing phase shift. In certain regions of the world most of the continental inputs are through submarine groundwater discharges (SGD), which can play a significant ecological role because the concentration of its nutrients is usually greater that the one found in surface seawater. These stressors have adversely affected coral reefs, particularly in the Caribbean. Measurements of benthic cover (with video tracing, through a Go Pro camera), reef roughness (acoustic estimates with an Acoustic Doppler Current Velocity profiler and a differential GPS), thermohaline conditions (conductivity-temperature-depth (CTD) instrument) and nutrient measurements were taken in different sites in the reef lagoon of Puerto Morelos, Q. Roo, Mexico including those with influence of SGD and without it. The results suggest a link between SGD, macroalgae cover and structural complexity. Punctual water samples and data series from a CTD Diver confirm the presence of the SGD. On the site where the SGD is, the macroalgae cover is larger than in the other sites. To establish a causal link between this phase shift and SGD, the DELFT 3D hydrodynamic model (FLOW and WAVE modules) was performed under different environmental conditions and discharge magnitudes. The model was validated using measurements of oceanographic instruments anchored in the lagoon and forereef. The SGD is consistently favoring macroalgae populations and affecting structural complexity of the reef.

Keywords: hydrodynamic model, macroalgae, nutrients, phase shift

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7186 Chemical Composition, Antioxidant and Antibacterial Activities of Essential Oil from the Leaves of Thymus vulgaris L.

Authors: Tsige Reda

Abstract:

Essential oil of Thymus vulgaris was extracted by means of hydro-distillation. This study was done to investigate the chemical composition, antibacterial and antioxidant activities. The chemical composition of the essential oils was determined using gas chromatography coupled to mass spectroscopy (GC-MS). Using disc diffusion assay the antibacterial activity was assessed on one Gram-positive bacteria and one Gram-negative bacteria. The percentage oil yield of the essential oil was found to be 0.97 ± 0.08% (w/w) with yellow color. The physicochemical constants of the oil were also noted. The phytochemical screening of the plant extract revealed the presence of tannins, saponins, phenol, flavonoids, terpenoids, steroids and alkaloids. A total of 18 chemical constituents were identified by Gas Chromatography-Mass Spectroscopy analysis representing 100% of the total essential oil of Thymus vulgaris, with thymol (31.977%), o-cymene (29.992%), and carvacrol (14.541%). Previous studies have revealed that the thymol, o-cymen and carvacrol components of Thymus vulgaris are responsible for their biological activities. Thymus vulgaris have been used traditionally to treat a wide variety of infections. Based on the extensive use and lack of scientific evidence, a study was embarked upon to determine its bioactivity. The essential oil of Thymus vulgaris leaves exhibited higher activity towards the Gram-positive bacteria (Staphylococcus aurous) than the Gram-negative bacteria (Escherichia coli) and also has good antioxidant activity, and can be used medicinal and therapeutic applications. This activity may be due to the high amount of thymol, o-cymen and carvacrol.

Keywords: hydro-distillation, Thymus vulgaris, essential oil composition, phytochemical screening, physicochemical constants, antioxidant activity, antibacterial activity

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7185 Pressure-Controlled Dynamic Equations of the PFC Model: A Mathematical Formulation

Authors: Jatupon Em-Udom, Nirand Pisutha-Arnond

Abstract:

The phase-field-crystal, PFC, approach is a density-functional-type material model with an atomic resolution on a diffusive timescale. Spatially, the model incorporates periodic nature of crystal lattices and can naturally exhibit elasticity, plasticity and crystal defects such as grain boundaries and dislocations. Temporally, the model operates on a diffusive timescale which bypasses the need to resolve prohibitively small atomic-vibration time steps. The PFC model has been used to study many material phenomena such as grain growth, elastic and plastic deformations and solid-solid phase transformations. In this study, the pressure-controlled dynamic equation for the PFC model was developed to simulate a single-component system under externally applied pressure; these coupled equations are important for studies of deformable systems such as those under constant pressure. The formulation is based on the non-equilibrium thermodynamics and the thermodynamics of crystalline solids. To obtain the equations, the entropy variation around the equilibrium point was derived. Then the resulting driving forces and flux around the equilibrium were obtained and rewritten as conventional thermodynamic quantities. These dynamics equations are different from the recently-proposed equations; the equations in this study should provide more rigorous descriptions of the system dynamics under externally applied pressure.

Keywords: driving forces and flux, evolution equation, non equilibrium thermodynamics, Onsager’s reciprocal relation, phase field crystal model, thermodynamics of single-component solid

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7184 Numerical Simulation of Phase Transfer during Cryosurgery for an Irregular Tumor Using Hybrid Approach

Authors: Rama Bhargava

Abstract:

In the current paper, numerical simulation has been performed for the two-dimensional time dependent Pennes’ heat transfer model which is solved for irregular diseased tumor cells. An elliptic cryoprobe of varying sizes is taken at the center of the computational domain in such a manner that the location of the probe is fixed throughout the computation. The phase transition occurs due to the effect of probe with infusion of different nanoparticles Au, Al₂O₃, Fe₃O₄. The cooling performance of these nanoparticles injected at very low temperature, has been studied by implementing a hybrid FEM/EFGM method in which the whole domain is decomposed into two subdomains. The results are shown in terms of temperature profile inside the computational domain. Rate of cooling is obtained for various nanoparticles and it is observed that infusion of Au nanoparticles is very much efficient in increasing the heating rate than other nanoparticles. Such numerical scheme has direct applications where the domain is irregular.

Keywords: cryosurgery, hybrid EFGM/FEM, nanoparticles, simulation

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7183 Bioincision of Gmelina Arborea Roxb. Heartwood with Inonotus Dryophilus (Berk.) Murr. for Improved Chemical Uptake and Penetration

Authors: A. O. Adenaiya, S. F. Curling, O. Y. Ogunsanwo, G . A. Ormondroyd

Abstract:

Treatment of wood with chemicals in order to prolong its service life may prove difficult in some refractory wood species. This impermeability in wood is usually due to biochemical changes which occur during heartwood formation. Bioincision, which is a short-term, controlled microbial decomposition of wood, is one of the promising approaches capable of improving the amenability of refractory wood to chemical treatments. Gmelina Arborea, a mainstay timber species in Nigeria, has impermeable heartwood due to the excessive tyloses which occlude its vessels. Therefore, the chemical uptake and penetration in Gmelina arborea heartwood bioincised with Inonotus dryophilus fungus was investigated. Five mature Gmelina Arborea trees were harvested at the Departmental plantation in Ajibode, Ibadan, Nigeria and a bolt of 300 cm was obtained from the basal portion of each tree. The heartwood portion of the bolts was extracted and converted into dimensions 20 mm x 20 mm x 60 mm and subsequently conditioned (200C at 65% Relative Humidity). Twenty wood samples each were bioincised with the white-rot fungus Inonotus dryophilus (ID, 999) for 3, 5, 7 and 9 weeks using standard procedure, while a set of sterile control samples were prepared. Ten of each bioincised and control sample were pressure-treated with 5% tanalith preservative, while the other ten of each bioincised and control samples were pressure-treated with a liquid dye for easy traceability of the chemical in the wood, both using a full cell treatment process. The bioincised and control samples were evaluated for their Weight Loss before chemical treatment (WL, %), Preservative Absorption (PA, Kg/m3), Preservative Retention (PR, Kg/m3), Axial Absorption (AA, Kg/m3), Lateral Absorption (LA, Kg/m3), Axial Penetration Depth (APD, mm), Radial Penetration Depth (RPD, mm), and Tangential Penetration Depth (TPD, mm). The data obtained were analyzed using ANOVA at α0.05. Results show that the weight loss was least in the samples bioincised for three weeks (0.09%) and highest after 7 weeks of bioincision (0.48%). The samples bioincised for 3 weeks had the least PA (106.72 Kg/m3) and PR (5.87 Kg/m3), while the highest PA (134.9 Kg/m3) and PR were observed after 7 weeks of bioincision (7.42 Kg/m3). The AA ranged from 27.28 Kg/m3 (3 weeks) to 67.05 Kg/m3 (5 weeks), while the LA was least after 5 weeks of incubation (28.1 Kg/m3) and highest after 9 weeks (71.74 Kg/m3). Significantly lower APD was observed in control samples (6.97 mm) than in the samples bioincised after 9weeks (19.22 mm). The RPD increased from 0.08 mm (control samples) to 3.48 mm (5 weeks), while TPD ranged from 0.38 mm (control samples) to 0.63 mm (9 weeks), implying that liquid flow in the wood was predominantly through the axial pathway. Bioincising G. arborea heartwood with I. dryophilus fungus for 9 weeks is capable of enhancing chemical uptake and deeper penetration of chemicals in the wood through the degradation of the occluding vessel tyloses, which is accompanied by a minimal degradation of the polymeric wood constituents.

Keywords: Bioincision, chemical uptake, penetration depth, refractory wood, tyloses

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7182 Numerical Investigation of Pressure Drop and Erosion Wear by Computational Fluid Dynamics Simulation

Authors: Praveen Kumar, Nitin Kumar, Hemant Kumar

Abstract:

The modernization of computer technology and commercial computational fluid dynamic (CFD) simulation has given better detailed results as compared to experimental investigation techniques. CFD techniques are widely used in different field due to its flexibility and performance. Evaluation of pipeline erosion is complex phenomenon to solve by numerical arithmetic technique, whereas CFD simulation is an easy tool to resolve that type of problem. Erosion wear behaviour due to solid–liquid mixture in the slurry pipeline has been investigated using commercial CFD code in FLUENT. Multi-phase Euler-Lagrange model was adopted to predict the solid particle erosion wear in 22.5° pipe bend for the flow of bottom ash-water suspension. The present study addresses erosion prediction in three dimensional 22.5° pipe bend for two-phase (solid and liquid) flow using finite volume method with standard k-ε turbulence, discrete phase model and evaluation of erosion wear rate with varying velocity 2-4 m/s. The result shows that velocity of solid-liquid mixture found to be highly dominating parameter as compared to solid concentration, density, and particle size. At low velocity, settling takes place in the pipe bend due to low inertia and gravitational effect on solid particulate which leads to high erosion at bottom side of pipeline.

Keywords: computational fluid dynamics (CFD), erosion, slurry transportation, k-ε Model

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7181 Determination of 1-Deoxynojirimycin and Phytochemical Profile from Mulberry Leaves Cultivated in Indonesia

Authors: Yasinta Ratna Esti Wulandari, Vivitri Dewi Prasasty, Adrianus Rio, Cindy Geniola

Abstract:

Mulberry is a plant that widely cultivated around the world, mostly for silk industry. In recent years, the study showed that the mulberry leaves have an anti-diabetic effect which mostly comes from the compound known as 1-deoxynojirimycin (DNJ). DNJ is a very potent α-glucosidase inhibitor. It will decrease the degradation rate of carbohydrates in digestive tract, leading to slower glucose absorption and reducing the post-prandial glucose level significantly. The mulberry leaves also known as the best source of DNJ. Since then, the DNJ in mulberry leaves had received a considerable attention, because of the increased number of diabetic patients and the raise of people awareness to find a more natural cure for diabetic. The DNJ content in mulberry leaves varied depend on the mulberry species, leaf’s age, and the plant’s growth environment. Few of the mulberry varieties that were cultivated in Indonesiaare Morus alba var. kanva-2, M. alba var. multicaulis, M. bombycis var. lembang, and M. cathayana. The lack of data concerning phytochemicals contained in the Indonesian mulberry leaves are restraining their use in the medicinal field. The aim of this study is to fully utilize the use of mulberry leaves cultivated in Indonesia as a medicinal herb in local, national, or global community, by determining the DNJ and other phytochemical contents in them. This study used eight leaf samples which are the young leaves and mature leaves of both Morus alba var. kanva-2, M. alba var. multicaulis, M. bombycis var. lembang, and M. cathayana. The DNJ content was analyzed using reverse phase high performance liquid chromatography (HPLC). The stationary phase was silica C18 column and the mobile phase was acetonitrile:acetic acid 0.1% 1:1 with elution rate 1 mL/min. Prior to HPLC analysis the samples were derivatized with FMOC to ensure the DNJ detectable by VWD detector at 254 nm. Results showed that the DNJ content in samples are ranging from 2.90-0.07 mg DNJ/ g leaves, with the highest content found in M. cathayana mature leaves (2.90 ± 0.57 mg DNJ/g leaves). All of the mature leaf samples also found to contain higher amount of DNJ from their respective young leaf samples. The phytochemicals in leaf samples was tested using qualitative test. Result showed that all of the eight leaf samples contain alkaloids, phenolics, flavonoids, tannins, and terpenes. The presence of this phytochemicals contribute to the therapeutic effect of mulberry leaves. The pyrolysis-gas chromatography-mass spectrometry (Py-GC-MS) analysis was also performed to the eight samples to quantitatively determine their phytochemicals content. The pyrolysis temperature was set at 400 °C, with capillary column Phase Rtx-5MS 60 × 0.25 mm ID stationary phase and helium gas mobile phase. Few of the terpenes found are known to have anticancer and antimicrobial properties. From all the results, all of four samples of mulberry leaves which are cultivated in Indonesia contain DNJ and various phytochemicals like alkaloids, phenolics, flavonoids, tannins, and terpenes which are beneficial to our health.

Keywords: Morus, 1-deoxynojirimycin, HPLC, Py-GC-MS

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7180 Recovery of Waste Acrylic Fibers for the Elimination of Basic Dyes

Authors: N. Ouslimani, M. T. Abadlia

Abstract:

Environment protection is a precondition for sustained growth and a better quality of life for all people on earth. Aqueous industrial effluents are the main sources of pollution. Among the compounds of these effluents, dyes are particularly resistant to discoloration by conventional methods, and discharges present many problems that must be supported. The scientific literature shows that synthetic organic dyes are compounds used in many industrial sectors. They are found in the chemical, car, paper industry and particularly the textile industry, where all the lines and grades of the chemical family are represented. The affinity between the fibers and dyes vary depending on the chemical structure of dyes and the type of materials to which they are applied. It is not uncommon to find that during the dyeing operation from 15 to 20 % of sulfur dyes, and sometimes up to 40 % of the reactants are discharged with the effluent. This study was conducted for the purpose of fading basics dyes from wastewater using as adsorbent fiber waste material. This technique presents an interesting alternative to usual treatment, as it allows the recovery of waste fibers, which can find uses as raw material for the manufacture of cleaning products or in other sectors In this study the results obtained by fading fiber waste are encouraging, given the rate of color removal which is about 90%.This method also helps to decrease BOD and suspended solids MES in an effective way.

Keywords: adsorption, dyes, fiber, valorization, wastewater

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7179 Soybean Lecithin Based Reverse Micellar Extraction of Pectinase from Synthetic Solution

Authors: Sivananth Murugesan, I. Regupathi, B. Vishwas Prabhu, Ankit Devatwal, Vishnu Sivan Pillai

Abstract:

Pectinase is an important enzyme which has a wide range of applications including textile processing and bioscouring of cotton fibers, coffee and tea fermentation, purification of plant viruses, oil extraction etc. Selective separation and purification of pectinase from fermentation broth and recover the enzyme form process stream for reuse are cost consuming process in most of the enzyme based industries. It is difficult to identify a suitable medium to enhance enzyme activity and retain its enzyme characteristics during such processes. The cost effective, selective separation of enzymes through the modified Liquid-liquid extraction is of current research interest worldwide. Reverse micellar extraction, globally acclaimed Liquid-liquid extraction technique is well known for its separation and purification of solutes from the feed which offers higher solute specificity and partitioning, ease of operation and recycling of extractants used. Surfactant concentrations above critical micelle concentration to an apolar solvent form micelles and addition of micellar phase to water in turn forms reverse micelles or water-in-oil emulsions. Since, electrostatic interaction plays a major role in the separation/purification of solutes using reverse micelles. These interaction parameters can be altered with the change in pH, addition of cosolvent, surfactant and electrolyte and non-electrolyte. Even though many chemical based commercial surfactant had been utilized for this purpose, the biosurfactants are more suitable for the purification of enzymes which are used in food application. The present work focused on the partitioning of pectinase from the synthetic aqueous solution within the reverse micelle phase formed by a biosurfactant, Soybean Lecithin dissolved in chloroform. The critical micelle concentration of soybean lecithin/chloroform solution was identified through refractive index and density measurements. Effect of surfactant concentrations above and below the critical micelle concentration was considered to study its effect on enzyme activity, enzyme partitioning within the reverse micelle phase. The effect of pH and electrolyte salts on the partitioning behavior was studied by varying the system pH and concentration of different salts during forward and back extraction steps. It was observed that lower concentrations of soybean lecithin enhanced the enzyme activity within the water core of the reverse micelle with maximizing extraction efficiency. The maximum yield of pectinase of 85% with a partitioning coefficient of 5.7 was achieved at 4.8 pH during forward extraction and 88% yield with a partitioning coefficient of 7.1 was observed during backward extraction at a pH value of 5.0. However, addition of salt decreased the enzyme activity and especially at higher salt concentrations enzyme activity declined drastically during both forward and back extraction steps. The results proved that reverse micelles formed by Soybean Lecithin and chloroform may be used for the extraction of pectinase from aqueous solution. Further, the reverse micelles can be considered as nanoreactors to enhance enzyme activity and maximum utilization of substrate at optimized conditions, which are paving a way to process intensification and scale-down.

Keywords: pectinase, reverse micelles, soybean lecithin, selective partitioning

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7178 Saco Sweet Cherry from Fundão Region, Portugal: Chemical Profile and Health-Promoting Properties

Authors: Luís R. Silva, Ana C. Gonçalves, Catarina Bento, Fábio Jesus, Branca M. Silva

Abstract:

Prunus avium Linnaeus, more known as sweet cherry, is one of the most appreciated fruit worldwide. Most of these quantities are produced in Fundão region, being Saco the cultivar most produced. Saco is very rich in bioactive compounds, especially phenolics, and presents great antioxidant capacity. The purpose of the present study was to investigate the chemical profile and biological potential, concerning antioxidant, anti-diabetic activity and protective effects towards erythrocytes by Saco sweet cherry collected from Fundão region (Portugal). The hydroethanolic extracts were prepared and passed through a C18 solid-phase extraction column. The phenolic profile analyzed by LC-DAD method allowed to the identification of 22 phenolic compounds, being 16 non-phenolics and 6 anthocyanins. In respect to non-coloured phenolics, 3-O-caffeoylquinic and ρ-coumaroylquinic acids were the main ones. Concerning to anthocyanins, cyanidin-3-O-rutinoside was found in higher amounts. Relatively to biological potential, Saco showed great antioxidant potential, through DPPH and NO radical assays, with IC50 =16.24 ± 0.46 µg/mL and IC50 = 176.69 ± 3.35 µg/mL for DPPH and NO, respectively. These results were similar to those obtained for ascorbic acid control (IC50 = 16.92 ± 0.69 and IC50 = 162.66 ± 1.31 μg/mL for DPPH and NO, respectively). In respect to antidiabetic potential, Saco revealed capacity to inhibit α-glucosidase in a dose-dependent manner (IC50 = 10.79 ± 0.40 µg/mL), being much active than positive control acarbose (IC50 = 306.66 ± 0.84 μg/mL). Additionally, Saco extracts revealed protective effects against ROO•-mediated toxicity generated by AAPH in human blood erythrocytes, inhibiting hemoglobin oxidation (IC50 = 38.57 ± 0.96 μg/mL) and hemolysis (IC50 = 73.03 ± 1.48 μg/mL), in a concentration-dependent manner. However, Saco extracts were less effective than quercetin control (IC50 = 3.10 μg/mL and IC50 = 0.7 μg/mL for inhibition of hemoglobin oxidation and hemolysis, respectively). The results obtained showed that Saco is an excellent source of phenolic compounds. These ones are natural antioxidant substances, which easily capture reactive species. This work presents new insights regarding sweet cherry antioxidant properties which may be useful for the future development of new therapeutic strategies for preventing or attenuating oxidative-related disorders.

Keywords: antioxidant capacity, health benefits, phenolic compounds, saco

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7177 Optimization of Three Phase Squirrel Cage Induction Motor

Authors: Tunahan Sapmaz, Harun Etçi, İbrahim Şenol, Yasemin Öner

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Rotor bar dimensions have a great influence on the air-gap magnetic flux density. Therefore, poor selection of this parameter during the machine design phase causes the air-gap magnetic flux density to be distorted. Thus, it causes noise, torque fluctuation, and losses in the induction motor. On the other hand, the change in rotor bar dimensions will change the resistance of the conductor, so the current will be affected. Therefore, the increase and decrease of rotor bar current affect operation, starting torque, and efficiency. The aim of this study is to examine the effect of rotor bar dimensions on the electromagnetic performance criteria of the induction motor. Modeling of the induction motor is done by the finite element method (FEM), which is a very powerful tool. In FEM, the results generally focus on performance criteria such as torque, torque fluctuation, efficiency, and current.

Keywords: induction motor, finite element method, optimization, rotor bar

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7176 The Effects of Menstrual Phase on Upper and Lower Body Anaerobic Performance in College-Aged Women

Authors: Kelsey Scanlon

Abstract:

Introduction: With the rate of female collegiate and professional athletes on the rise in recent decades, fluctuations in physical performance in relation to the menstrual cycle is an important area of study. PURPOSE: The purpose of this research was to compare differences in upper and lower body maximal anaerobic capacities across a single menstrual cycle. Methode: Participants (n=11) met a total of four times; once for familiarization and again on day 1 of menses (follicular phase), day 14 (ovulation), and day 21 (luteal phase) respectively. Upper body power was assessed using a bench press weight of ~50% of the participant’s predetermined 1-repetition maximum (1-RM) on a ballistic measurement system and variables included peak force (N), mean force (N), peak power (W), mean power (W), and peak velocity (m/s). Lower body power output was collected using a standard Wingate test. The variables of interest were anaerobic capacity (w/kg), peak power (W), mean power (W), fatigue index (W/s), and total work (J). Result: Statistical significance was not observed (p > 0.05) in any of the aforementioned variables after completing multiple one ways of analyses of variances (ANOVAs) with repeated measures on time. Conclusion: Within the parameters of this research, neither female upper nor lower body power output differed across the menstrual cycle when analyzed using 50% of one repetition (1RM) maximal bench press and the 30-second maximal effort cycle ergometer Wingate test. Therefore, researchers should not alter their subject populations due to the incorrect assumption that power output may be influenced by the menstrual cycle.

Keywords: anaerobic, athlete, female, power

Procedia PDF Downloads 137
7175 Modal Analysis of Functionally Graded Materials Plates Using Finite Element Method

Authors: S. J. Shahidzadeh Tabatabaei, A. M. Fattahi

Abstract:

Modal analysis of an FGM plate composed of Al2O3 ceramic phase and 304 stainless steel metal phases was performed in this paper by ABAQUS software with the assumption that the behavior of material is elastic and mechanical properties (Young's modulus and density) are variable in the thickness direction of the plate. Therefore, a sub-program was written in FORTRAN programming language and was linked with ABAQUS software. For modal analysis, a finite element analysis was carried out similar to the model of other researchers and the accuracy of results was evaluated after comparing the results. Comparison of natural frequencies and mode shapes reflected the compatibility of results and optimal performance of the program written in FORTRAN as well as high accuracy of finite element model used in this research. After validation of the results, it was evaluated the effect of material (n parameter) on the natural frequency. In this regard, finite element analysis was carried out for different values of n and in simply supported mode. About the effect of n parameter that indicates the effect of material on the natural frequency, it was observed that the natural frequency decreased as n increased; because by increasing n, the share of ceramic phase on FGM plate has decreased and the share of steel phase has increased and this led to reducing stiffness of FGM plate and thereby reduce in the natural frequency. That is because the Young's modulus of Al2O3 ceramic is equal to 380 GPa and Young's modulus of SUS304 steel is 207 GPa.

Keywords: FGM plates, modal analysis, natural frequency, finite element method

Procedia PDF Downloads 378
7174 Level of Sustainability, Environmental Assessment and Life Cycle Assessment of Industrial Technology Research Projects in Carlos Hilado Memorial State College, Alijis Campus, Bacolod City, Negros Occidental, Philippines

Authors: Rene A. Salmingo

Abstract:

In pursuing higher educational institution’s transition to sustainable future, this research initiative was conducted. The study aimed to determine the level of sustainability, environmental impact and life cycle phase assessment of the industrial technology research projects at the Institute of Information Technology, Carlos Hilado Memorial State College (CHMSC), Alijis Campus, Bacolod City, Negros Occidental, Philippines. The research method was descriptive utilizing a researcher made questionnaire to assess the ten (10) industrial technology completed research projects. Mean was used to treat the data and instrument for Good and Scates’ validity through revisions and consultations from the environmental experts, technology specialists; and Cronbach Alpha was used to measure reliability. Results indicated that the level of sustainability and life cycle phase assessment was very high while the environmental impact of the industrial research projects was rated low. Moreover, the current research projects and environmental education courses in the college were relevant to support sustainable industrial technology research projects in the future. Hence, this research initiative will contribute to the transformation of CHMSC as a greening higher educational institution and as a center for sustainable development in the region.

Keywords: environmental impact, industrial technology research projects, life cycle phase assessment, sustainability

Procedia PDF Downloads 175
7173 Analyzing the Ergonomic Design of Manual Material Handling in Chemical Industry: Case Study of Activity Task Weigh Liquid Catalyst to the Container Storage

Authors: Yayan Harry Yadi, L. Meily Kurniawidjaja

Abstract:

Work activities for MMH (Manual Material Handling) in the storage of liquid catalyst raw material workstations in chemical industries identify high-risk MSDs (Musculoskeletal Disorders). Their work is often performed frequently requires an awkward body posture, twisting, bending because of physical space limited, cold, slippery, and limited tools for transfer container and weighing the liquid chemistry of the catalyst into the container. This study aims to develop an ergonomic work system design on the transfer and weighing process of liquid catalyst raw materials at the storage warehouse. A triangulation method through an interview, observation, and detail study team with assessing the level of risk work posture and complaints. Work postures were analyzed using the RULA method, through the support of CATIA software. The study concludes that ergonomic design can make reduce 3 levels of risk scores awkward posture. CATIA Software simulation provided a comprehensive solution for a better posture of manual material handling at task weigh. An addition of manual material handling tools such as adjustable conveyors, trolley and modification tools semi-mechanical weighing with techniques based on rule ergonomic design can reduce the hazard of chemical fluid spills.

Keywords: ergonomic design, MSDs, CATIA software, RULA, chemical industry

Procedia PDF Downloads 151
7172 Selective Solvent Extraction of Calcium and Magnesium from Concentrate Nickel Solutions Using Mixtures of Cyanex 272 and D2EHPA

Authors: Alexandre S. Guimarães, Marcelo B. Mansur

Abstract:

The performance of organophosphorus extractants Cyanex 272 and D2EHPA on the purification of concentrate nickel sulfate solutions was evaluated. Batch scale tests were carried out at pH range of 2 to 7 using a laboratory solution simulating concentrate nickel liquors as those typically obtained when sulfate intermediates from nickel laterite are re-leached and treated for the selective removal of cobalt, zinc, manganese and copper with Cyanex 272 ([Ca] = 0.57 g/L, [Mg] = 3.2 g/L, and [Ni] = 88 g/L). The increase on the concentration of D2EHPA favored the calcium extraction. The extraction of magnesium is dependent on the pH and of ratio of extractants D2EHPA and Cyanex 272 in the organic phase. The composition of the investigated organic phase did not affect nickel extraction. The number of stages is dependent on the magnesium extraction. The most favorable operating condition to selectively remove calcium and magnesium was determined.

Keywords: solvent extraction, organophosphorus extractants, alkaline earth metals, nickel

Procedia PDF Downloads 506
7171 Improving the Uniformity of Electrostatic Meter’s Spatial Sensitivity

Authors: Mohamed Abdalla, Ruixue Cheng, Jianyong Zhang

Abstract:

In pneumatic conveying, the solids are mixed with air or gas. In industries such as coal fired power stations, blast furnaces for iron making, cement and flour processing, the mass flow rate of solids needs to be monitored or controlled. However the current gas-solids two-phase flow measurement techniques are not as accurate as the flow meters available for the single phase flow. One of the problems that the multi-phase flow meters to face is that the flow profiles vary with measurement locations and conditions of pipe routing, bends, elbows and other restriction devices in conveying system as well as conveying velocity and concentration. To measure solids flow rate or concentration with non-even distribution of solids in gas, a uniform spatial sensitivity is required for a multi-phase flow meter. However, there are not many meters inherently have such property. The circular electrostatic meter is a popular choice for gas-solids flow measurement with its high sensitivity to flow, robust construction, low cost for installation and non-intrusive nature. However such meters have the inherent non-uniform spatial sensitivity. This paper first analyses the spatial sensitivity of circular electrostatic meter in general and then by combining the effect of the sensitivity to a single particle and the sensing volume for a given electrode geometry, the paper reveals first time how a circular electrostatic meter responds to a roping flow stream, which is much more complex than what is believed at present. The paper will provide the recent research findings on spatial sensitivity investigation at the University of Tees side based on Finite element analysis using Ansys Fluent software, including time and frequency domain characteristics and the effect of electrode geometry. The simulation results will be compared tothe experimental results obtained on a large scale (14” diameter) rig. The purpose of this research is paving a way to achieve a uniform spatial sensitivity for the circular electrostatic sensor by mean of compensation so as to improve overall accuracy of gas-solids flow measurement.

Keywords: spatial sensitivity, electrostatic sensor, pneumatic conveying, Ansys Fluent software

Procedia PDF Downloads 353
7170 Study on the Controlled Growth of Lanthanum Hydroxide and Manganese Oxide Nano Composite under the Presence of Cationic Surfactant

Authors: Neeraj Kumar Verma

Abstract:

Lanthanum hydroxide and manganese oxide nanocomposite are synthesized by chemical routes. Physical characterization is done by TEM to look at the size and dispersion of the nanoparticles in the composite. Chemical characterization is done by X-ray diffraction technique and FTIR to ascertain the attachment of the functionalities and bond stretching. Further thermal analysis is done by thermogravimetric analysis to find the tendency of the thermal decomposition in the elevated temperature range of 0-1000°C. Proper analysis and correlation of the various results obtained suggested the controlled growth of crystalline without agglomeration and good stability in the various temperature ranges of the composite.

Keywords: nanoparticles, XRD, TEM, lanthanum hydroxide, manganese oxide

Procedia PDF Downloads 449
7169 Evaluation of Turbulence Modelling of Gas-Liquid Two-Phase Flow in a Venturi

Authors: Mengke Zhan, Cheng-Gang Xie, Jian-Jun Shu

Abstract:

A venturi flowmeter is a common device used in multiphase flow rate measurement in the upstream oil and gas industry. Having a robust computational model for multiphase flow in a venturi is desirable for understanding the gas-liquid and fluid-pipe interactions and predicting pressure and phase distributions under various flow conditions. A steady Eulerian-Eulerian framework is used to simulate upward gas-liquid flow in a vertical venturi. The simulation results are compared with experimental measurements of venturi differential pressure and chord-averaged gas holdup in the venturi throat section. The choice of turbulence model is nontrivial in the multiphase flow modelling in a venturi. The performance cross-comparison of the k-ϵ model, Reynolds stress model (RSM) and shear-stress transport (SST) k-ω turbulence model is made in the study. In terms of accuracy and computational cost, the SST k-ω turbulence model is observed to be the most efficient.

Keywords: computational fluid dynamics (CFD), gas-liquid flow, turbulence modelling, venturi

Procedia PDF Downloads 157
7168 Mechanical Strengths of Self-Compacting Mortars Prepared with the Pozzolanic Cement in Aggressive Environments

Authors: M. Saidi, I. Djefour, F. Ait Medjber, A. Melouane, A. Gacem

Abstract:

The objective of this research is to study the physical and mechanical properties and durability of self-compacting mortars prepared by substituting a part of cement up to a percentage of 30% pozzolan according to different Blaine specific surface area (SSB1=7000 cm2/g and SSB=9000 cm2/g)). Order to evaluate durability, mortars were subjected to chemical attacks in various aggressive environments, a solution of a mixture of nitric acid and ammonium nitrate (HNO3 + NH4NO3) and a magnesium sulfate salt solution (MgSO4)) with a concentration of 10%, for a period of one month. This study is complemented by a comparative study of the durability of mortars elaborated with sulphate resistant cement (SRC). The results show that these mortars develop long-term, mechanical and chemical resistance better than mortars based Portland cement with 5% gypsum (CEM 1) and SRC. We found that the mass losses are lowest in mortars elaborated with pozzolanic cement (30% substitution with SSB2) in both of chemical attack solutions (3.28% in the solution acid and 1.16% in the salt solution) and the compressive strength gains of 14.68% and 8.5% respectively in the two media. This is due to the action of pozzolan which fixes portlandite to form hydrated calcium silicate (CSH) from the hydration of tricalcic silicate (C3S).

Keywords: aggressive environments, durability, mechanical strengths, pozzolanic cement, self-compacting mortar

Procedia PDF Downloads 216
7167 Hydro-Mechanical Behavior of a Tuff and Calcareous Sand Mixture for Use in Pavement in Arid Region

Authors: I. Goual, M. S. Goual, M. K. Gueddouda, Taïbi Saïd, Abou-Bekr Nabil, A. Ferhat

Abstract:

The aim of the paper is to study the hydro-mechanical behavior of a tuff and calcareous sand mixture. A first experimental phase was carried out in order to find the optimal mixture. This showed that the material composed of 80% tuff and 20% calcareous sand provides the maximum mechanical strength. The second experimental phase concerns the study of the drying-wetting behavior of the optimal mixture was carried out on slurry samples and compacted samples at the MPO. Experimental results let to deduce the parameters necessary for the prediction of the hydro-mechanical behavior of pavement formulated from tuff and calcareous sand mixtures, related to moisture. This optimal mixture satisfies the regulation rules and hence constitutes a good local eco-material, abundantly available, for the conception of pavements.

Keywords: tuff, sandy calcareous, road engineering, hydro mechanical behaviour, suction

Procedia PDF Downloads 421
7166 Enhanced Stability of Piezoelectric Crystalline Phase of Poly(Vinylidene Fluoride) (PVDF) and Its Copolymer upon Epitaxial Relationships

Authors: Devi Eka Septiyani Arifin, Jrjeng Ruan

Abstract:

As an approach to manipulate the performance of polymer thin film, epitaxy crystallization within polymer blends of poly(vinylidene fluoride) (PVDF) and its copolymer poly(vinylidene fluoride-trifluoroethylene) P(VDF-TrFE) was studied in this research, which involves the competition between phase separation and crystal growth of constitutive semicrystalline polymers. The unique piezoelectric feature of poly(vinylidene fluoride) crystalline phase is derived from the packing of molecular chains in all-trans conformation, which spatially arranges all the substituted fluorene atoms on one side of the molecular chain and hydrogen atoms on the other side. Therefore, the net dipole moment is induced across the lateral packing of molecular chains. Nevertheless, due to the mutual repulsion among fluorene atoms, this all-trans molecular conformation is not stable, and ready to change above curie temperature, where thermal energy is sufficient to cause segmental rotation. This research attempts to explore whether the epitaxial interactions between piezoelectric crystals and crystal lattice of hexamethylbenzene (HMB) crystalline platelet is able to stabilize this metastable all-trans molecular conformation or not. As an aromatic crystalline compound, the melt of HMB was surprisingly found able to dissolve the poly(vinylidene fluoride), resulting in homogeneous eutectic solution. Thus, after quenching this binary eutectic mixture to room temperature, subsequent heating or annealing processes were designed to explore the involve phase separation and crystallization behavior. The phase transition behaviors were observed in-situ by X-ray diffraction and differential scanning calorimetry (DSC). The molecular packing was observed via transmission electron microscope (TEM) and the principles of electron diffraction were brought to study the internal crystal structure epitaxially developed within thin films. Obtained results clearly indicated the occurrence of heteroepitaxy of PVDF/PVDF-TrFE on HMB crystalline platelet. Both the concentration of poly(vinylidene fluoride) and the mixing ratios of these two constitutive polymers have been adopted as the influential factors for studying the competition between the epitaxial crystallization of PVDF and P(VDF-TrFE) on HMB crystalline. Furthermore, the involved epitaxial relationship is to be deciphered and studied as a potential factor capable of guiding the wide spread of piezoelectric crystalline form.

Keywords: epitaxy, crystallization, crystalline platelet, thin film and mixing ratio

Procedia PDF Downloads 208
7165 A Study on the Treatment of Municipal Waste Water Using Sequencing Batch Reactor

Authors: Bhaven N. Tandel, Athira Rajeev

Abstract:

Sequencing batch reactor process is a suspended growth process operating under non-steady state conditions which utilizes a fill and draw reactor with complete mixing during the batch reaction step (after filling) and where the subsequent steps of aeration and clarification occur in the same tank. All sequencing batch reactor systems have five steps in common, which are carried out in sequence as follows, (1) fill (2) react (3) settle (sedimentation/clarification) (4) draw (decant) and (5) idle. The study was carried out in a sequencing batch reactor of dimensions 44cmx30cmx70cm with a working volume of 40 L. Mechanical stirrer of 100 rpm was used to provide continuous mixing in the react period and oxygen was supplied by fish tank aerators. The duration of a complete cycle of sequencing batch reactor was 8 hours. The cycle period was divided into different phases in sequence as follows-0.25 hours fill phase, 6 hours react period, 1 hour settling phase, 0.5 hours decant period and 0.25 hours idle phase. The study consisted of two runs, run 1 and run 2. Run 1 consisted of 6 hours aerobic react period and run 2 consisted of 3 hours aerobic react period followed by 3 hours anoxic react period. The influent wastewater used for the study had COD, BOD, NH3-N and TKN concentrations of 308.03±48.94 mg/L, 100.36±22.05 mg/L, 14.12±1.18 mg/L, and 24.72±2.21 mg/L respectively. Run 1 had an average COD removal efficiency of 41.28%, BOD removal efficiency of 56.25%, NH3-N removal efficiency of 86.19% and TKN removal efficiency of 54.4%. Run 2 had an average COD removal efficiency of 63.19%, BOD removal efficiency of 73.85%, NH3-N removal efficiency of 90.74% and TKN removal efficiency of 65.25%. It was observed that run 2 gave better performance than run 1 in the removal of COD, BOD and TKN.

Keywords: municipal waste water, aerobic, anoxic, sequencing batch reactor

Procedia PDF Downloads 528
7164 Full-Potential Investigation of the Electronic and Magnetic Properties of CdCoTe and CdMnTe Diluted Magnetic Semiconductors

Authors: A.Zitouni, S.Bentata, B.Bouadjemi, T.Lantri, W. Benstaali, Z.Aziz, S.Cherid

Abstract:

We investigate the structural, electronic and magnetic properties of the diluted magnetic semiconductors (DMSs) CdCoTe and CdMnTe in the zinc blende phase with 25% of Co and Mn. The calculations are performed by the recent ab initio full potential augmented plane waves (FP_L/APW) method within the spin polarized density-functional theory (DFT) and the generalized gradient approximation GGA. Structural properties are determined from the total energy calculations and we found that these compounds are stable in the ferromagnetic phase. We discuss the electronic structures, total and partial densities of states and total magnetic moments. The calculated densities of states presented in this study identify the half-metallic of CdCoTe and CdMnTe.

Keywords: electronic structure, half-metallic, magnetic moment, total and partial densities of states

Procedia PDF Downloads 476