Search results for: chemical reaction
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1584

Search results for: chemical reaction

894 Equilibrium, Kinetic and Thermodynamic Studies of Simultaneous Co-Adsorptive Removal of Phenol and Cyanide Using Chitosan

Authors: Bhumica Agarwal, Priya Sengupta, Chandrajit Balomajumder

Abstract:

The present study analyses the potential of acid treated chitosan for simultaneous co-adsorptive removal of phenol and cyanide from a binary waste water solution. The effects of parameters like pH, temperature, initial concentration, adsorbent dose, and adsorbent size were studied. At an optimum pH of 8, temperature of 30⁰C, initial phenol and cyanide concentration of 200 mg/L and 20 mg/L respectively, adsorbent dose of 30 g/L and size between 0.4-0.6 mm the maximum percentage removal of phenol and cyanide was found to be 60.97% and 90.86% respectively. Amongst the adsorption isotherms applied extended Freundlich best depicted the adsorption of both phenol and cyanide based on lowest MPSD value. The kinetics depicted that chemisorption was the adsorption mechanism and intraparticle diffusion is not the only rate controlling step of the reaction. Thermodynamic studies revealed that phenol adsorption was exothermic and spontaneous whereas that of cyanide was an endothermic process.

 

Keywords: Chitosan, Co-adsorption, Cyanide, Phenol.

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893 Porous Ni and Ni-Co Electrodeposits for Alkaline Water Electrolysis – Energy Saving

Authors: I. Herraiz-Cardona, C. González-Buch, E. Ortega, V. Pérez-Herranz, J. García-Antón

Abstract:

Hydrogen is considered to be the most promising candidate as a future energy carrier. One of the most used technologies for the electrolytic hydrogen production is alkaline water electrolysis. However, due to the high energy requirements, the cost of hydrogen produced in such a way is high. In continuous search to improve this process using advanced electrocatalytic materials for the hydrogen evolution reaction (HER), Ni type Raney and macro-porous Ni-Co electrodes were prepared on AISI 304 stainless steel substrates by electrodeposition. The developed electrodes were characterized by SEM and confocal laser scanning microscopy. HER on these electrodes was evaluated in 30 wt.% KOH solution by means of hydrogen discharge curves and galvanostatic tests. Results show that the developed electrodes present a most efficient behaviour for HER when comparing with the smooth Ni cathode. It has been reported a reduction in the energy consumption of the electrolysis cell of about 25% by using the developed coatings as cathodes.

Keywords: Alkaline water electrolysis, energy efficiency, porous nickel electrodes

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892 Real Time Multi-Sensory Force Sensing Mat for Sports Biomechanics and Human Gait Analysis

Authors: D. Gouwanda, S. M. N. A. Senanayake

Abstract:

This paper presents a real time force sensing instrument that is designed for human gait analysis purposes. It is capable of recording and monitoring ground reaction forces exerted by human foot during various activities such as walking, running and jumping in real time. In overall, force sensing mat mainly consists of three elements: the force sensing mat, signal conditioning circuit and data acquisition device. Force sensing mat is the mat that contains an array of force sensing elements. To control and process the incoming signal from the force sensing mat, Force-Logger and Force-Reloader are developed using National Instrument Labview. This paper describes the architecture of the force sensing mat, signal conditioning circuit and the real time streaming of the incoming data from the force sensing mat. Additionally, a preliminary experiment dataset is presented in this paper.

Keywords: Force platform, force sensing resistor, human gait analysis.

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891 Volatile Profile of Monofloral Honeys Produced by Stingless Bees from the Brazilian Semiarid Region

Authors: Ana Caroliny Vieira da Costa, Marta Suely Madruga

Abstract:

In Brazil, there is a diverse fauna of social bees, known by Meliponinae or native stingless bees. These bees are important for providing a differentiated product, especially regarding unique sweetness, flavor, and aroma. However, information about the volatile fraction in honey produced by stingless native bees is still lacking. The aim of this work was to characterize the volatile compound profile of monofloral honey produced by jandaíra bees (Melipona subnitida Ducke) which used chanana (Turnera ulmifolia L.), malícia (Mimosa quadrivalvis) and algaroba (Prosopis juliflora (Sw.) DC) as their floral sources; and by uruçu bees (Melipona scutellaris Latrelle), which used chanana (Turnera ulmifolia L.), malícia (Mimosa quadrivalvis) and angico (Anadenanthera colubrina) as their floral sources. The volatiles were extracted using HS-SPME-GC-MS technique. The condition for the extraction was: equilibration time of 15 minutes, extraction time of 45 min and extraction temperature of 45°C. Through the results obtained, it was observed that the floral source had a strong influence on the aroma profile of the honey under evaluation, since the chemical profiles were marked primarily by the classes of terpenes, norisoprenoids, and benzene derivatives. Furthermore, the results obtained suggest the existence of differentiator compounds and potential markers for the botanical sources evaluated, such as linalool, D-sylvestrene, rose oxide and benzenethanol. These reports represent a valuable contribution to certifying the authenticity of those honey and provides for the first time, information intended for the construction of chemical knowledge of the aroma and flavor that characterize these honey produced in Brazil.

Keywords: Aroma, honey, semiarid, stingless, volatiles.

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890 Heavy Metal Contents in Vegetable Oils of Kazakhstan Origin and Life Risk Assessment

Authors: A. E. Mukhametov, M. T. Yerbulekova, D. R. Dautkanova, G. A. Tuyakova, G. Aitkhozhayeva

Abstract:

The accumulation of heavy metals in food is a constant problem in many parts of the world. Vegetable oils are widely used, both for cooking and for processing in the food industry, meeting the main dietary requirements. One of the main chemical pollutants, heavy metals, is usually found in vegetable oils. These chemical pollutants are carcinogenic, teratogenic and immunotoxic, harmful to consumption and have a negative effect on human health even in trace amounts. Residues of these substances can easily accumulate in vegetable oil during cultivation, processing and storage. In this article, the content of the concentration of heavy metal ions in vegetable oils of Kazakhstan production is studied: sunflower, rapeseed, safflower and linseed oil. Heavy metals: arsenic, cadmium, lead and nickel, were determined in three repetitions by the method of flame atomic absorption. Analysis of vegetable oil samples revealed that the largest lead contamination (Pb) was determined to be 0.065 mg/kg in linseed oil. The content of cadmium (Cd) in the largest amount of 0.009 mg/kg was found in safflower oil. Arsenic (As) content was determined in rapeseed and safflower oils at 0.003 mg/kg, and arsenic (As) was not detected in linseed and sunflower oil. The nickel (Ni) content in the largest amount of 0.433 mg/kg was in linseed oil. The heavy metal contents in the test samples complied with the requirements of regulatory documents for vegetable oils. An assessment of the health risk of vegetable oils with a daily consumption of 36 g per day shows that all samples of vegetable oils produced in Kazakhstan are safe for consumption. But further monitoring is needed, since all these metals are toxic and their harmful effects become apparent only after several years of exposure.

Keywords: Kazakhstan, oil, safety, toxic metals.

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889 Using Phase Equilibrium Theory to Calculate Solubility of γ-Oryzanol in Supercritical CO2

Authors: Boy Arief Fachri

Abstract:

Even its content is rich in antioxidants ϒ-oryzanol, rice bran is not used properly as functional food. This research aims to (1) extract ϒ-oryzanol; (2) determine the solubility of ϒ-oryzanol in supercritical CO2 based on phase equilibrium theory; and (3) study the effect of process variables on solubility. Extraction experiments were carried out for rice bran (5 g) at various extraction pressures, temperatures and reaction times. The flowrate of supercritical fluid through the extraction vessel was 25 g/min. The extracts were collected and analysed with high-pressure liquid chromatography (HPLC). The conclusion based on the experiments are as: (1) The highest experimental solubility was 0.303 mcg/mL RBO at T= 60°C, P= 90 atm, t= 30 min; (2) Solubility of ϒ-oryzanol was influenced by pressure and temperature. As the pressure and temperature increase, the solubility increases; (3) The solubility data of supercritical extraction can be successfully determined using phase equilibrium theory. Meanwhile, tocopherol was found and slightly investigated in this work.

Keywords: Rice bran, solubility, supercritical CO2, ϒ-orizanol.

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888 Recycling of Sclareolide in the Crystallization Mother Liquid of Sclareolide by Adsorption and Chromatography

Authors: Xiang Li, Kui Chen, Bin Wu, Min Zhou

Abstract:

Sclareolide is made from sclareol by oxidiative synthesis and subsequent crystallization, while the crystallization mother liquor still contains 15%~30%wt of sclareolide to be reclaimed. With the reaction material of sclareol is provided as plant extract, many sorts of complex impurities exist in the mother liquor. Due to the difficulty in recycling sclareolide after solvent recovery, it is common practice for the factories to discard the mother liquor, which not only results in loss of sclareolide, but also contributes extra environmental burden. In this paper, a process based on adsorption and elution has been presented for recycling of sclareolide from mother liquor. After pretreatment of the crystallization mother liquor by HZ-845 resin to remove parts of impurities, sclareolide is adsorbed by HZ-816 resin. The HZ-816 resin loaded with sclareolide is then eluted by elution solvent. Finally, the eluent containing sclareolide is concentrated and fed into the crystallization step in the process. By adoption of the recycle from mother liquor, total yield of sclareolide increases from 86% to 90% with a stable purity of the final sclareolide products maintained.

Keywords: Sclareolide, resin, adsorption, chromatography.

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887 Greywater Treatment Using Activated Biochar Produced from Agricultural Waste

Authors: Pascal Mwenge, Tumisang Seodigeng

Abstract:

The increase in urbanisation in South Africa has led to an increase in water demand and a decline in freshwater supply. Despite this, poor water usage is still a major challenge in South Africa, for instance, freshwater is still used for non-drinking applications. The freshwater shortage can be alleviated by using other sources of water for non-portable purposes such as greywater treated with activated biochar produced from agricultural waste. The success of activated biochar produced from agricultural waste to treat greywater can be both economically and environmentally beneficial. Greywater treated with activated biochar produced from agricultural waste is considered a cost-effective wastewater treatment.  This work was aimed at determining the ability of activated biochar to remove Total Suspended Solids (TSS), Ammonium (NH4-N), Nitrate (NO3-N), and Chemical Oxygen Demand (COD) from greywater. The experiments were carried out in 800 ml laboratory plastic cylinders used as filter columns. 2.5 cm layer of gravel was used at the bottom and top of the column to sandwich the activated biochar material. Activated biochar (200 g and 400 g) was loaded in a column and used as a filter medium for greywater. Samples were collected after a week and sent for analysis. Four types of greywater were treated: Kitchen, floor cleaning water, shower and laundry water. The findings showed: 95% removal of TSS, 76% of NO3-N and 63% of COD on kitchen greywater and 85% removal of NH4-N on bathroom greywater, as highest removal of efficiency of the studied pollutants. The results showed that activated biochar produced from agricultural waste reduces a certain amount of pollutants from greywater. The results also indicated the ability of activated biochar to treat greywater for onsite non-potable reuse purposes.

Keywords: Activated biochar produced from agriculture waste, ammonium (NH4-N), chemical oxygen demand (COD), greywater, nitrate (NO3-N), total suspended solids (TSS).

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886 An Investigation of New Phase Diagram of Ag2SO4 - CaSO4

Authors: Ravi V. Joat, Pravin S. Bodke, Shradha S. Binani, S. S. Wasnik

Abstract:

A phase diagram of the Ag2SO4 - CaSO4 (Silver sulphate – Calcium Sulphate) binaries system using conductivity, XRD (X-Ray Diffraction Technique) and DTA (Differential Thermal Analysis) data is constructed. The eutectic reaction (liquid -» a-Ag2SO4 + CaSO4) is observed at 10 mole% CaSO4 and 645°C. Room temperature solid solubility limit up to 5.27 mole % of Ca 2+ in Ag2SO4 is set using X-ray powder diffraction and scanning electron microscopy results. All compositions beyond this limit are two-phase mixtures below and above the transition temperature (≈ 416°C). The bulk conductivity, obtained following complex impedance spectroscopy, is found decreasing with increase in CaSO4 content. Amongst other binary compositions, the 80AgSO4-20CaSO4 gave improved sinterability/packing density.

Keywords: Ag2SO4-CaSO4 (Silver sulphate–Calcium Sulphate) binaries system, XRD (X-Ray Diffraction Technique) and DTA (Differential Thermal Analysis).

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885 Irreversibility and Electrochemical Modeling of GT-SOFC Hybrid System and Parametric Analysis on Performance of Fuel Cell

Authors: R. Mahjoub, K. Maghsoudi Mehraban

Abstract:

Since the heart of the hybrid system is the fuel cell and it has vital impact on efficiency and performance of cycle, in this study, the major modeling of electrochemical reaction within the fuel cell is analyzed. Also, solid oxide fuel cell is integrated with the gas turbine and thermodynamic analysis on different elements of hybrid system is applied. Next, in predefined operational points of hybrid cycle, the simulation results are obtained. Then, different source of irreversibility in fuel cell is modeled and influence of different major parameters on different irreversibility is computed and applied. Then, the effect of important parameters such as thickness and surface of electrolyte fuel cell are simulated in fuel cell and its dependency to these parameters is explained. At the end of the paper, different impact of parameters on fuel cell with a gas turbine and current density and voltage of fuel cell are simulated.

Keywords: Electrochemical analysis, Gas turbine, Hybrid system, Irreversibility analysis.

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884 Effects of Varying Fermentation Periods on the Chemical Composition of African Yam Bean (Sphenostylis stenocarpa) and Acha (Digitaria exilis) Flour Blends and Sensory Properties of Their Products

Authors: P. N. Okeke, J. N. Chikwendu

Abstract:

The study evaluated the effects of varying fermentation periods on the nutrients and anti-nutrients composition of African yam bean (Sphenostylis stenocarpa) and acha (Digitaria exilis) flour blends and sensory properties of their products. The African yam bean seeds and acha grains were fermented for 24 hrs, 48 and 72 hrs, dried (sun drying) and milled into fine flour. The fermented flours were used in a ratio of 70:30 (Protein basis) to formulate composite flour for meat pie and biscuits production. Both the fermented and unfermented flours and products were analyzed for chemical composition using the standard method. The data were statistically analyzed using SPSS version 15 to determine the mean and standard deviation. The 24, 48, and 72 hrs fermentation periods increased protein (22.81, 26.15 and 24.00% respectively). The carbohydrate, ash and moisture contents of the flours were also increased as a result of fermentation (68.01-76.83, 2.26-4.88, and 8.36-13.00% respectively). The 48 hrs fermented flour blends had the highest increase in ash relative to the control (4.88%). Fermentation increased zinc, iron, magnesium and phosphorus content of the flours. Treatment drastically reduced the anti-nutrient (oxalate, saponin, tannin, phytate, and hemagglutinin) levels of the flours. Both meat pie and biscuits had increased protein relative to the control (27.36-34.28% and 23.66-25.09%). However, the protein content of the meat pie increased more than that of the biscuits. Zinc, Iron, Magnesium and phosphorus levels increased in both meat pie and biscuits. Organoleptic attributes of the products (meat pie and biscuits) were slightly lower than the control except those of the 72 hrs fermented flours.

Keywords: Fermentation, African yam bean, Acha, biscuits, meat-pie.

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883 Production of Biodiesel Using Tannery Fleshing as a Feedstock via Solid-State Fermentation

Authors: C. Santhana Krishnan, A. M. Mimi Sakinah, Lakhveer Singh, Zularisam A. Wahid

Abstract:

This study was initiated to evaluate and optimize the conversion of animal fat from tannery wastes into methyl ester. In the pre-treatment stage, animal fats feedstock was hydrolysed and esterified through solid state fermentation (SSF) using Microbacterium species immobilized onto sand silica matrix. After 72 hours of fermentation, predominant esters in the animal fats were found to be with 83.9% conversion rate. Later, esterified animal fats were transesterified at 3 hour reaction time with 1% NaOH (w/v %), 6% methanol to oil ratio (w/v %) to produce 89% conversion rate. C13 NMR revealed long carbon chain in fatty acid methyl esters at 22.2817-31.9727 ppm. Methyl esters of palmitic, stearic, oleic represented the major components in biodiesel.

Keywords: Tannery wastes, fatty animal fleshing, trans-esterification, immobilization, solid state fermentation.

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882 Evaluation of Bakery Products Made from Barley-Gelatinized Corn Flour and Wheat-Defatted Rice Bran Flour Composites

Authors: Ahmed M. S. Hussein, Sahar Y. Al-Okbi

Abstract:

In the present research, whole meal barley flour (WBF) was supplemented with gelatinized corn flour (GCF) in 0 and 30%. Whole meal wheat flour (WWF) was mixed with defatted rice bran (DRB) to produce 0, 20, 25, and 30% replacement levels. Rheological properties of dough were studied. Thermal properties and starch crystallinity of flours were evaluated. Flat bread, balady bread and pie were prepared from the different flour blends. The different bakeries were sensory evaluated. Color of raw materials and crust of bakery products were determined. Nutrients contents of raw flours and food products were assessed. Results showed that addition of GCF to WBF increased the viscosity and falling number of the produced dough. Water absorption, dough development time and dough stability increased with increasing the level of DRB in dough while, weakening and mixing tolerance index decreased. Extensibility and energy decreased, while, resistance to extension increased as DRB level increased. Gelatinized temperature of WWF, WBF, GCF, and DRB were 13.26, 35.09, 28.33, and 39.63, respectively. Starch crystallinity was affected when DRB was added to WWF. The highest protein content was present in balady bread made from 70% WWF and 30% DRB. The highest calcium, phosphorus, and potassium levels were present in products made from 100% WBF. Sensory attributes of the products were slightly affected by adding DRB and GCF. Conclusion: Addition of DRB or GCF to WWF or WBF, respectively affect the physical, chemical, rheological and sensory properties of balady bread, flat bread, and pie while improved their nutritive values.

Keywords: Bakeries, rheological properties, chemical and sensory attributes, flour thermal properties and starch crystallinity.

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881 Logistic Changeability - Application of a Methodological Framework for Designing Logistic Changeability

Authors: Sebastian Bertsch

Abstract:

In the past decades, the environment of production companies showed a permanent increase in dynamic and volatility in the form of demand fluctuations, new technologies or global crises. As a reaction to these new requirements, changeability of production systems came into attention. A changeable production system can adapt to these changes quickly and with little effort. Even though demand for changeable production exists for some time, the practical application is still insufficient.

To overcome this deficit, a three year research project at the Department of Production Systems and Logistics at the Leibniz University of Hanover/ Germany was initiated. As a result of this project, different concepts have been developed to design production changeable. An excerpt of the results will be presented in this paper. An eight step procedure will be presented to design the changeability of production logistics. This procedure has been applied at a German manufacturer of high demanding weighing machines. The developed procedure, their application in industry, as well as the major results of the application will be presented.

Keywords: Changeability, Change Drivers, Production Logistics.

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880 Absorption of CO2 in EAF Reducing Slag from Stainless Steel Making Process by Wet Grinding

Authors: B.M.N. Nik Hisyamudin, S. Yokoyama, M. Umemoto

Abstract:

In the current study, we have conducted an experimental investigation on the utilization of electronic arc furnace (EAF) reducing slag for the absorption of CO2 via wet grinding method. It was carried out by various grinding conditions. The slag was ground in the vibrating ball mill in the presence of CO2 and pure water under ambient temperature. The reaction behavior was monitored with constant pressure method, and the changes of experimental systems volume as a function of grinding time were measured. It was found that the CO2 absorption occurred as soon as the grinding started. The CO2 absorption was significantly increased in the case of wet grinding compare to the dry grinding. Generally, the amount of CO2 absorption increased as the amount of water, weight of slag and initial pressure increased. However, it was decreased when the amount of water exceeds 200ml and when smaller balls were used. The absorption of CO2 occurred simultaneously with the start of the grinding and it stopped when the grinding was stopped. According to this research, the CO2 reacted with the CaO inside the slag, forming CaCO3.

Keywords: CO2 absorption, EAF reducing slag, vibration ball mill, wet grinding.

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879 Impact of Behavioral Aspects of Autism on Cognitive Abilities in Children with Autism Spectrum Disorder

Authors: Rana M. Zeina, Laila AL-Ayadhi, Shahid Bashir

Abstract:

Cognitive symptoms and behavioral symptoms may, in fact, overlap and be related to the level of the general cognitive function. We have measured the behavioral aspects of autism and its correlation to the cognitive ability in 30 children with ASD. We used a neuropsychological Battery CANTAB eclipse to evaluate the ASD children's cognitive ability. Individuals with ASD and challenging behaviors showed significant correlation between some cognitive abilities and Motor aspects. Based on these findings, we can conclude that the motor behavioral problems in autism affect specific cognitive abilities in ASDs such as comprehension, learning, reversal, acquisition, attention set shifting, and speed of reaction to one stimulus. Future researches should also focus on the relationship between motor stereotypes and other subtypes of repetitive behaviors, such as verbal stereotypes, ritual routine adherence, and the use of different types of CANTAB tests.

Keywords: Autism, Cognitive ability, Motor Behavior, and Neuropsychological battery.

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878 The Effect of Dopamine D2 Receptor TAQ A1 Allele on Sprinter and Endurance Athlete

Authors: Öznur Özge Özcan, Canan Sercan, Hamza Kulaksız, Mesut Karahan, Korkut Ulucan

Abstract:

Genetic structure is very important to understand the brain dopamine system which is related to athletic performance. Hopefully, there will be enough studies about athletics performance in the terms of addiction-related genetic markers in the future. In the present study, we intended to investigate the Receptor-2 Gene (DRD2) rs1800497, which is related to brain dopaminergic system. 10 sprinter and 10 endurance athletes were enrolled in the study. Real-Time Polymerase Chain Reaction method was used for genotyping. According to results, A1A1, A1A2 and A2A2 genotypes in athletes were 0 (%0), 3 (%15) and 17 (%85). A1A1 genotype was not found and A2 allele was counted as the dominating allele in our cohort. These findings show that dopaminergic mechanism effects on sport genetic may be explained by the polygenic and multifactorial view.

Keywords: Addiction, athletic performance, genotype, polymorphism, sport genetics.

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877 Carotenoid Potential to Protect Cow-s Milk Fat Against Oxidative Deterioration

Authors: U. Antone, V. Sterna, J. Zagorska

Abstract:

Milk from differently fed cows (supplemented with carotenoids from carrots or palm oil product Carotino CAF 100) was obtained in a conventional dairy farm to assess the carotenoid potential to protect milk fat against oxidation. The extracted anhydrous milk fat (AMF) was tested by peroxide value, and Rancimat tests. Temperature, and light stimulation for reaction acceleration was used. The oxidative stability enhancement by carotenoids was detected in peroxide value test – the strongest effect was observed in palm oil, following by carrot supplemented group, compared to control group, whose feed was unchanged. Rancimat accelerated oxidation test results did not show any superiority of the oxidative stability of the AMF samples from milk of the carotenoidsupplemented cow groups. The average oxidation stability of AMF dark-stored samples was 12.59 ± 0.294 h, and it was significantly (p < 0.05) higher than that of AMF light-affected samples, i.e. 2.60 ± 0.191 h.

Keywords: antioxidants, dairy products, forages, lipid aging, peroxide

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876 Geomatics Techniques for Urban Transport Planning

Authors: Hafid Mohamed Amine, Nechniche H.

Abstract:

The major urban centers are all facing rapid growth is most often associated with spreading urbanization, social status of the car has also changed: it has become a commodity of mass consumption. There are currently about 5 million and 260 cars in Algeria (2008), this number increases every year 200,000 new cars. These phenomena induce a demand for greater mobility and a significant need for transport infrastructure. Faced with these problems and development of the growing use of the automobile, central governments and local authorities in charge of urban transport issues are aware of the need to develop their urban transport systems but often lack opportunities. Urban Transport Plans (PDU) were born in reaction to the "culture of automobile." Their existence in the world the '80s, however, they had little success before laws on air and rational use of energy in 90 years does not alter substantially their content and make mandatory their implementation in cities of over 100,000 inhabitants (Abroad) [1]. The objective of this work is to use the tool and specifically Geomatics techniques as decision support in the organization and management of travel while taking into consideration the influence, which will then translate by National Urban Transport Plan.

Keywords: Geomatic, GIS, PDU, planning, transport.

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875 Bio Fuel Production from Waste of Starting Dates in South Algeria

Authors: Insaf Mehani, Ahmed Boulal, Bachir Bouchekima

Abstract:

Renewable energy, including bio energy are an alternative to fossil fuel depletion and a way to fight against the harmful effects of climate change. It is possible to develop common dates of low commercial value, and put on the local and international market a new generation of products with high added values ​​such as bio ethanol. Besides its use in chemical synthesis, bio ethanol can be blended with gasoline to produce a clean fuel while improving the octane.

Keywords: Bio energy, dates, bio ethanol.

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874 DFT Study of Half Sandwich of Vanadium (IV) Cyclopentadienyl Complexes

Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH2)3NAr)}2-((ηn-Cp)Cp)} (Ar = 2,6-Pri2C6H3)(Cp = C5H5 and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH2)3NAr)2Cl(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH2)3NAr)2Cl(η1-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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873 Hydrated Magnesium Borate Synthesis from MgCl2.6H2O at 80oC by Hydrothermal Method

Authors: A. S. Kipcak, P. Gurses, E. Moroydor Derun, S. Piskin

Abstract:

Borate minerals have attracted considerable attention in the past years due to their structural chemistry and mechanical properties in several industries. Recently, increasing attention has been paid to the use of; synthetically produced magnesium borates as catalysts reinforcing material for plastics, the conversion of hydrocarbons, electro-conductive treating agent, anti-wear and anti-corrosion materials. Magnesium borates can be synthesized by several methods such as; hydrothermal and solid-state (thermal) processes. In this study the hydrothermal production method was applied at the modest temperature of 80C along with convenient crystal growth. Using MgCl2.6H2O, H3BO3, and NaOH as starting materials, 30, 60, 120, 240 minutes of reaction times were studied. After all, the crystal structure and the morphology of the products were examined by X-Ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR). As a result the forms of Admontite and Mcallisterite minerals were synthesized.

Keywords: FT-IR, hydrothermal method, magnesium borates, XRD.

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872 Evaluation of a Bio-Mechanism by Graphed Static Equilibrium Forces

Authors: A.Y. Bani Hashim, N.A. Abu Osman, W.A.B. Wan Abas, L. Abdul Latif

Abstract:

The unique structural configuration found in human foot allows easy walking. Similar movement is hard to imitate even for an ape. It is obvious that human ambulation relates to the foot structure itself. Suppose the bones are represented as vertices and the joints as edges. This leads to the development of a special graph that represents human foot. On a footprint there are point-ofcontacts which have contact with the ground. It involves specific vertices. Theoretically, for an ideal ambulation, these points provide reactions onto the ground or the static equilibrium forces. They are arranged in sequence in form of a path. The ambulating footprint follows this path. Having the human foot graph and the path crossbred, it results in a representation that describes the profile of an ideal ambulation. This profile cites the locations where the point-of-contact experience normal reaction forces. It highlights the significant of these points.

Keywords: Ambulation, edge, foot, graph, vertex.

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871 The Influence of the Intellectual Capital on the Firms’ Market Value: A Study of Listed Firms in the Tehran Stock Exchange (TSE)

Authors: Bita Mashayekhi, Seyed Meisam Tabatabaie Nasab

Abstract:

Intellectual capital is one of the most valuable and important parts of the intangible assets of enterprises especially in knowledge-based enterprises. With respect to increasing gap between the market value and the book value of the companies, intellectual capital is one of the components that can be placed in this gap. This paper uses the value added efficiency of the three components, capital employed, human capital and structural capital, to measure the intellectual capital efficiency of Iranian industries groups, listed in the Tehran Stock Exchange (TSE), using a 8 years period data set from 2005 to 2012. In order to analyze the effect of intellectual capital on the market-to-book value ratio of the companies, the data set was divided into 10 industries, Banking, Pharmaceutical, Metals & Mineral Nonmetallic, Food, Computer, Building, Investments, Chemical, Cement and Automotive, and the panel data method was applied to estimating pooled OLS. The results exhibited that value added of capital employed has a positive significant relation with increasing market value in the industries, Banking, Metals & Mineral Nonmetallic, Food, Computer, Chemical and Cement, and also, showed that value added efficiency of structural capital has a positive significant relation with increasing market value in the Banking, Pharmaceutical and Computer industries groups. The results of the value added showed a negative relation with the Banking and Pharmaceutical industries groups and a positive relation with computer and Automotive industries groups. Among the studied industries, computer industry has placed the widest gap between the market value and book value in its intellectual capital.

Keywords: Capital Employed, Human Capital, Intellectual Capital, Market-to-Book Value, Structural Capital, Value Added Efficiency.

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870 Continuity Planning in Supply Chain Networks: Degrees of Freedom and Application in the Risk Management Process

Authors: Marco Bötel, Tobias Gelau, Wendelin Gross

Abstract:

Supply chain networks are frequently hit by unplanned events which lead to disruptions and cause operational and financial consequences. It is neither possible to avoid disruption risk entirely, nor are network members able to prepare for every possible disruptive event. Therefore a continuity planning should be set up which supports effective operational responses in supply chain networks in times of emergencies. In this research network related degrees of freedom which determine the options for responsive actions are derived from interview data. The findings are further embedded into a common risk management process. The paper provides support for researchers and practitioners to identify the network related options for responsive actions and to determine the need for improving the reaction capabilities.

Keywords: Supply Chain Risk Management, Business Continuity Planning, Degrees of Freedom, Risk Management Process, Mitigation Measures.

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869 Physical and Microbiological Evaluation of Chitosan Films: Effect of Essential Oils and Storage

Authors: N. Valderrama, W. Albarracín, N. Algecira

Abstract:

The effect of the inclusion of thyme and rosemary essential oils into chitosan films, as well as the microbiological and physical properties when storing chitosan film with and without the mentioned inclusion was studied. The film forming solution was prepared by dissolving chitosan (2%, w/v), polysorbate 80 (4% w/w CH) and glycerol (16% w/w CH) in aqueous lactic acid solutions (control). The thyme (TEO) and rosemary (REO) essential oils (EOs) were included 1:1 w/w (EOs:CH) on their combination 50/50 (TEO:REO). The films were stored at temperatures of 5, 20, 33°C and a relative humidity of 75% during four weeks. The films with essential oil inclusion did not show an antimicrobial activity against strains. This behavior could be explained because the chitosan only inhibits the growth of microorganisms in direct contact with the active sites. However, the inhibition capacity of TEO was higher than the REO and a synergic effect between TEO:REO was found for S. enteritidis strains in the chitosan solution. Some physical properties were modified by the inclusion of essential oils. The addition of essential oils does not affect the mechanical properties (tensile strength, elongation at break, puncture deformation), the water solubility, the swelling index nor the DSC behavior. However, the essential oil inclusion can significantly decrease the thickness, the moisture content, and the L* value of films whereas the b* value increased due to molecular interactions between the polymeric matrix, the loosing of the structure, and the chemical modifications. On the other hand, the temperature and time of storage changed some physical properties on the chitosan films. This could have occurred because of chemical changes, such as swelling in the presence of high humidity air and the reacetylation of amino groups. In the majority of cases, properties such as moisture content, tensile strength, elongation at break, puncture deformation, a*, b*, chrome, 7E increased whereas water resistance, swelling index, L*, and hue angle decreased.

Keywords: Chitosan, food additives, modified films, polymers.

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868 Spark Plasma Sintering of Aluminum-Based Composites Reinforced by Nanocrystalline Carbon-Coated Intermetallic Particles

Authors: B. Z. Manuel, H. D. Esmeralda, H. S. Felipe, D. R. Héctor, D. de la Torre Sebastián, R. L. Diego

Abstract:

Aluminum Matrix Composites reinforced with nanocrystalline Ni3Al carbon-coated intermetallic particles, were synthesized by powder metallurgy. Powder mixture of aluminum with 0.5-volume fraction of reinforcement particles was compacted by spark plasma sintering (SPS) technique and the compared with conventional sintering process. The better results for SPS technique were obtained in 520ºC-5kN-3min.The hardness (70.5±8 HV) and the elastic modulus (95 GPa) were evaluated in function of sintering conditions for SPS technique; it was found that the incorporation of these kind of reinforcement particles in aluminum matrix improve its mechanical properties. The densities were about 94% and 97% of the theoretical density. The carbon coating avoided the interfacial reaction between matrix-particle at high temperature (520°C) without show composition change either intermetallic dissolution.

Keywords: Aluminum matrix composites, Intermetallics Spark plasma sintering.

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867 Temperature Effect on the Solid-State Synthesis of Dehydrated Zinc Borates

Authors: N. Tugrul, N. Baran Acarali, A. S. Kipcak, E. Moroydor Derun, S. Piskin

Abstract:

Turkey has 72 % of total world boron reserves on the basis of B2O3.Borates that is a refined form of boron minerals have a wide range of applications. Zinc borates can be used as multifunctional synergistic additives. The most important properties are low solubility in water and high dehydration temperature. Zinc borates dehydrate above 290°C and anhydrous zinc borate has thermal resistance about 400°C. Zinc borates can be synthesized using several methods such as hydrothermal and solid-state processes. In this study, the solid-state method was applied between 500 and 800°C using the starting materials of ZnO and H3BO3 with 1:4 mole ratio. The reaction time was determined as 4 hours after some preliminary experiments. After the synthesis, the crystal structure and the morphology of the products were examined by XRay Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR) and Raman Spectrometer. As a result the form of ZnB4O7 was synthesized with the highest crystal score at 800°C.

Keywords: Raman, solid-state method, zinc borate, XRD.

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866 Production of Polyurethane Foams from Bark Wastes

Authors: Luísa P. Cruz-Lopes, Liliana Rodrigues, Idalina Domingos, José Ferreira, Luís Teixeira de Lemos, Bruno Esteves

Abstract:

Currently, the polyurethanes industry is dependent on fossil resources to obtain their basic raw materials (polyols and isocyanate), as these are obtained from petroleum products. The aim of this work was to use biopolyols from liquefied Pseudotsuga (Pseudotsuga menziesii) and Turkey oak (Quercus cerris) barks for the production of polyurethane foams and optimize the process. Liquefaction was done with glycerol catalyzed by KOH. Foams were produced following different formulations and using biopolyols from both barks. Subsequently, the foams were characterized according to their mechanical properties and the reaction of the foam formation was monitored by FTIR-ATR. The results show that it is possible to produce polyurethane foams using bio-based polyols and the liquefaction conditions are very important because they influence the characteristics of biopolyols and, consequently the characteristics of the foams. However, the process has to be further optimized so that it can obtain better quality foams.

Keywords: Bio-based polyol, mechanical tests, polyurethane foam, Pseudotsuga bark, renewable resources, Turkey oak bark.

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865 The New Effective Biostimulator for Agroecological Engineering

Authors: Saniyam A. Ibragimova, Zhandos M. Basygarayev, Almagul R. Kerimkulova, E. A. Bukenova, Murat K. Gilmanov

Abstract:

New biostimulator from wheat seeds which by its chemical composition relates to fusicoccin is presented in this article. New biostimulator could be used as powerful hormonal substance that has ability to increase productivity and salt tolerance of agricultural plants. Also on the basis of biostimulator we have developed vegetative method for fast reproduction of perennial plants as desert plant - Tamarix gracilis.

Keywords: Biostimulator, crop productivity, ecology, fussicoccin, salt tolerance.

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