Search results for: carbon neutral fuel
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4841

Search results for: carbon neutral fuel

1691 Precise Electrochemical Metal Recovery from Emerging Waste Streams

Authors: Wei Jin

Abstract:

Efficient and selective metal recovery from emerging solid waste, such as spent lithium batteries, electronic waste and SCR catalysts, is of great importance from both environmental and resource considerations. In order to overcome the bottlenecks of long flow-sheet and severe secondary pollution in conventional processes, the rational design of 2-electron oxygen reduction reaction (ORR) and capacitive deionization (CDI) nanomaterials were developed for the precise electrochemical metal recovery. It has been demonstrated that the modified carbon nanomaterials can be employed as 2e ORR to produce H2O2 in aqueous solution, in which the metal can be leached out from the solid waste as ions. Moreover, the multi-component metallic solution can be electrochemically extracted with good efficiency and selectivity with the nanoporous aerogel. Each system presents stable performance for long-term operation and can be used in industrial solid waste treatment. This study provides a materials-oriented, cleaner metal recovery approach for strategic metal resources sustainability.

Keywords: electrochemistry, metal recovery, waste steams, nanomaterials

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1690 Allylation of Active Methylene Compounds with Cyclic Baylis-Hillman Alcohols: Why Is It Direct and Not Conjugate?

Authors: Karim Hrratha, Khaled Essalahb, Christophe Morellc, Henry Chermettec, Salima Boughdiria

Abstract:

Among the carbon-carbon bond formation types, allylation of active methylene compounds with cyclic Baylis-Hillman (BH) alcohols is a reliable and widely used method. This reaction is a very attractive tool in organic synthesis of biological and biodiesel compounds. Thus, in view of an insistent and peremptory request for an efficient and straightly method for synthesizing the desired product, a thorough analysis of various aspects of the reaction processes is an important task. The product afforded by the reaction of active methylene with BH alcohols depends largely on the experimental conditions, notably on the catalyst properties. All experiments reported that catalysis is needed for this reaction type because of the poor ability of alcohol hydroxyl group to be as a suitable leaving group. Within the catalysts, several transition- metal based have been used such as palladium in the presence of acid or base and have been considered as reliable methods. Furthemore, acid catalysts such as BF3.OEt2, BiX3 (X= Cl, Br, I, (OTf)3), InCl3, Yb(OTf)3, FeCl3, p-TsOH and H-montmorillonite have been employed to activate the C-C bond formation through the alkylation of active methylene compounds. Interestingly a report of a smoothly process for the ability of 4-imethyaminopyridine(DMAP) to catalyze the allylation reaction of active methylene compounds with cyclic Baylis-Hillman (BH) alcohol appeared recently. However, the reaction mechanism remains ambiguous, since the C- allylation process leads to an unexpected product (noted P1), corresponding to a direct allylation instead of conjugate allylation, which involves the most electrophilic center according to the electron withdrawing group CO effect. The main objective of the present theoretical study is to better understand the role of the DMAP catalytic activity as well as the process leading to the end- product (P1) for the catalytic reaction of a cyclic BH alcohol with active methylene compounds. For that purpose, we have carried out computations of a set of active methylene compounds varying by R1 and R2 toward the same alcohol, and we have attempted to rationalize the mechanisms thanks to the acid–base approach, and conceptual DFT tools such as chemical potential, hardness, Fukui functions, electrophilicity index and dual descriptor, as these approaches have shown a good prediction of reactions products.The present work is then organized as follows: In a first part some computational details will be given, introducing the reactivity indexes used in the present work, then Section 3 is dedicated to the discussion of the prediction of the selectivity and regioselectivity. The paper ends with some concluding remarks. In this work, we have shown, through DFT method at the B3LYP/6-311++G(d,p) level of theory that: The allylation of active methylene compounds with cyclic BH alcohol is governed by orbital control character. Hence the end- product denoted P1 is generated by direct allylation.

Keywords: DFT calculation, gas phase pKa, theoretical mechanism, orbital control, charge control, Fukui function, transition state

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1689 The Effect of Immobilization Conditions on Hydrogen Production from Palm Oil Mill Effluent

Authors: A. W. Zularisam, Lakhveer Singh, Mimi Sakinah Abdul Munaim

Abstract:

In this study, the optimization of hydrogen production using polyethylene glycol (PEG) immobilized sludge was investigated in batch tests. Palm oil mill effluent (POME) is used as a substrate that can act as a carbon source. Experiment focus on the effect of some important affecting factors on fermentative hydrogen production. Results showed that immobilized sludge demonstrated the maximum hydrogen production rate of 340 mL/L-POME/h under follow optimal condition: amount of biomass 10 mg VSS/ g bead, PEG concentration 10%, and cell age 24 h or 40 h. More importantly, immobilized sludge not only enhanced hydrogen production but can also tolerate the harsh environment and produce hydrogen at the wide ranges of pH. The present results indicate the potential of PEG-immobilized sludge for large-scale operations as well; these factors play an important role in stable and continuous hydrogen production.

Keywords: bioydrogen, immobilization, polyethylene glycol, palm oil mill effluent, dark fermentation

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1688 Long-Term Conservation Tillage Impact on Soil Properties and Crop Productivity

Authors: Danute Karcauskiene, Dalia Ambrazaitiene, Regina Skuodiene, Monika Vilkiene, Regina Repsiene, Ieva Jokubauskaite

Abstract:

The main ambition for nowadays agriculture is to get the economically effective yield and to secure the soil ecological sustainability. According to the effect on the main soil quality indexes, tillage systems may be separated into two types, conventional and conservation tillage. The goal of this study was to determine the impact of conservation and conventional primary soil tillage methods and soil fertility improvement measures on soil properties and crop productivity. Methods: The soil of the experimental site is Dystric Glossic Retisol (WRB 2014) with texture of sandy loam. The trial was established in 2003 in the experimental field of crop rotation of Vėžaičiai Branch of Lithuanian Research Centre for Agriculture and Forestry. Trial factors and treatments: factor A- primary soil tillage in (autumn): deep ploughing (20-25cm), shallow ploughing (10-12cm), shallow ploughless tillage (8-10cm); factor B – soil fertility improvement measures: plant residues, plant residues + straw, green manure 1st cut + straw, farmyard manure 40tha-1 + straw. The four - course crop rotation consisted of red clover, winter wheat, spring rape and spring barley with undersown. Results: The tillage had no statistically significant effect on topsoil (0-10 cm) pHKCl level, it was 5.5 - 5.7. During all experiment period, the highest soil pHKCl level (5.65) was in the shallow ploughless tillage. The organic fertilizers particularly the biomass of grass and farmyard manure had tendency to increase the soil pHKCl. The content of plant - available phosphorus and potassium significantly increase in the shallow ploughing compared with others tillage systems. The farmyard manure increases those elements in whole arable layer. The dissolved organic carbon concentration was significantly higher in the 0 - 10 cm soil layer in the shallow ploughless tillage compared with deep ploughing. After the incorporation of clover biomass and farmyard manure the concentration of dissolved organic carbon increased in the top soil layer. During all experiment period the largest amount of water stable aggregates was determined in the soil where the shallow ploughless tillage was applied. It was by 12% higher compared with deep ploughing. During all experiment time, the soil moisture was higher in the shallow ploughing and shallow ploughless tillage (9-27%) compared to deep ploughing. The lowest emission of CO2 was determined in the deep ploughing soil. The highest rate of CO2 emission was in shallow ploughless tillage. The addition of organic fertilisers had a tendency to increase the CO2 emission, but there was no statistically significant effect between the different types of organic fertilisers. The crop yield was larger in the deep ploughing soil compared to the shallow and shallow ploughless tillage.

Keywords: reduced tillage, soil structure, soil pH, biological activity, crop productivity

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1687 Investigation of the Thermal Flow inside the Catalytic Combustor for Lean CH4-Air Mixture on a Platinum Catalyst with H2 Addition

Authors: Kumaresh Selvakumar, Man Young Kim

Abstract:

In order to elaborate the main idea of investigating the flow physics inside the catalytic combustor, the characteristics of the catalytic surface reactions are analyzed by employing the CHEMKIN methodology with detailed gas and surface chemistries. The presence of a catalyst inside an engine enables complete combustion at lower temperatures which promotes desired chemical reactions. A single channel from the honeycomb monolith catalytic combustor is preferred to analyze the gas and surface reactions in the catalyst bed considering the fact that every channel in the honeycomb monolith behaves in similar fashion. The simplified approach with single catalyst channel using plug flow reactor can be used to predict the flow behavior inside the catalytic combustor. The hydrogen addition to the combustion reactants offers a way to light-off catalytic combustion of methane on platinum catalyst and aids to reduce the surface ignition temperature. Indeed, the hydrogen adsorption is higher on the uncovered Pt(s) surface sites because the sticking coefficient of hydrogen is larger than that of methane. The location of flame position in the catalyst bed is validated by igniting the methane fuel with the presence of hydrogen for corresponding multistep surface reactions.

Keywords: catalytic combustor, hydrogen adsorption, plug flow reactor, surface ignition temperature

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1686 Optimization of Process Parameters for Rotary Electro Discharge Machining Using EN31 Tool Steel: Present and Future Scope

Authors: Goutam Dubey, Varun Dutta

Abstract:

In the present study, rotary-electro discharge machining of EN31 tool steel has been carried out using a pure copper electrode. Various response variables such as Material Removal Rate (MRR), Tool Wear Rate (TWR), and Machining Rate (MR) have been studied against the selected process variables. The selected process variables were peak current (I), voltage (V), duty cycle, and electrode rotation (N). EN31 Tool Steel is hardened, high carbon steel which increases its hardness and reduces its machinability. Reduced machinability means it not economical to use conventional methods to machine EN31 Tool Steel. So, non-conventional methods play an important role in machining of such materials.

Keywords: electric discharge machining, EDM, tool steel, tool wear rate, optimization techniques

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1685 Adsorptive Desulfurization of Tire Pyrolytic Oil Using Cu(I)–Y Zeolite via π-Complexation

Authors: Moshe Mello, Hilary Rutto, Tumisang Seodigeng

Abstract:

The accelerating requirement to reach 0% sulfur content in liquid fuels demands researchers to seek efficient alternative technologies to challenge the predicament. In this current study, the adsorption capabilities of modified Cu(I)-Y zeolite were tested for removal of organosulfur compounds (OSC) present in TPO. The π-complexation-based adsorbent was obtained by ion exchanging Y-zeolite with Cu+ cation using liquid phase ion exchange (LPIE). Preparation of the adsorbent involved firstly ion-exchange between Na-Y zeolite with a Cu(NO3)2 aqueous solution of 0.5M for 48 hours followed by reduction of Cu2+ to Cu+. Batch studies for TPO in comparison with model diesel comprising of sulfur compounds such as thiophene (TH), benzothiophene (BTH), dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophe (4,6-DMDBT) showed that modified Cu(I)-Y zeolite is an effective adsorbent for removal of OSC in liquid fuels. The effect of multiple operating conditions such as adsorbent dosage, reaction time and temperature were studied to optimize the process. For model diesel fuel, the selectivity for adsorption of sulfur compounds followed the order 4,6-DMDBT> DBT> BTH> TH. Interpretation of the results was justified using the molecular orbital theory and calculations. Langmuir and Freundlich isotherms were used to predict adsorption of the reaction mixture. The Cu(I)-Y zeolite is fully regeneratable and this is achieved by a simple procedure of blowing the adsorbent with air at 350 °C, followed by reactivation at 450 °C in a rich helium surrounding.

Keywords: adsorption, desulfurization, TPO, zeolite

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1684 Iron Oxide Reduction Using Solar Concentration and Carbon-Free Reducers

Authors: Bastien Sanglard, Simon Cayez, Guillaume Viau, Thomas Blon, Julian Carrey, Sébastien Lachaize

Abstract:

The need to develop clean production processes is a key challenge of any industry. Steel and iron industries are particularly concerned since they emit 6.8% of global anthropogenic greenhouse gas emissions. One key step of the process is the high-temperature reduction of iron ore using coke, leading to large amounts of CO2 emissions. One route to decrease impacts is to get rid of fossil fuels by changing both the heat source and the reducer. The present work aims at investigating experimentally the possibility to use concentrated solar energy and carbon-free reducing agents. Two sets of experimentations were realized. First, in situ X-ray diffraction on pure and industrial powder of hematite was realized to study the phase evolution as a function of temperature during reduction under hydrogen and ammonia. Secondly, experiments were performed on industrial iron ore pellets, which were reduced by NH3 or H2 into a “solar furnace” composed of a controllable 1600W Xenon lamp to simulate and control the solar concentrated irradiation of a glass reactor and of a diaphragm to control light flux. Temperature and pressure were recorded during each experiment via thermocouples and pressure sensors. The percentage of iron oxide converted to iron (called thereafter “reduction ratio”) was found through Rietveld refinement. The power of the light source and the reduction time were varied. Results obtained in the diffractometer reaction chamber show that iron begins to form at 300°C with pure Fe2O3 powder and 400°C with industrial iron ore when maintained at this temperature for 60 minutes and 80 minutes, respectively. Magnetite and wuestite are detected on both powders during the reduction under hydrogen; under ammonia, iron nitride is also detected for temperatures between400°C and 600°C. All the iron oxide was converted to iron for a reaction of 60 min at 500°C, whereas a conversion ratio of 96% was reached with industrial powder for a reaction of 240 min at 600°C under hydrogen. Under ammonia, full conversion was also reached after 240 min of reduction at 600 °C. For experimentations into the solar furnace with iron ore pellets, the lamp power and the shutter opening were varied. An 83.2% conversion ratio was obtained with a light power of 67 W/cm2 without turning over the pellets. Nevertheless, under the same conditions, turning over the pellets in the middle of the experiment permits to reach a conversion ratio of 86.4%. A reduction ratio of 95% was reached with an exposure of 16 min by turning over pellets at half time with a flux of 169W/cm2. Similar or slightly better results were obtained under an ammonia reducing atmosphere. Under the same flux, the highest reduction yield of 97.3% was obtained under ammonia after 28 minutes of exposure. The chemical reaction itself, including the solar heat source, does not produce any greenhouse gases, so solar metallurgy represents a serious way to reduce greenhouse gas emission of metallurgy industry. Nevertheless, the ecological impact of the reducers must be investigated, which will be done in future work.

Keywords: solar concentration, metallurgy, ammonia, hydrogen, sustainability

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1683 Energy Management System with Temperature Rise Prevention on Hybrid Ships

Authors: Asser S. Abdelwahab, Nabil H. Abbasy, Ragi A. Hamdy

Abstract:

Marine shipping has now become one of the major worldwide contributors to pollution and greenhouse gas emissions. Hybrid ships technology based on multiple energy sources has taken a great scope of research to get rid of ship emissions and cut down fuel expenses. Insufficiency between power generated and the demand load to withstand the transient behavior on ships during severe climate conditions will lead to a blackout. Thus, an efficient energy management system (EMS) is a mandatory scope for achieving higher system efficiency while enhancing the lifetime of the onboard storage systems is another salient EMS scope. Considering energy storage system conditions, both the battery state of charge (SOC) and temperature represent important parameters to prevent any malfunction of the storage system that eventually degrades the whole system. In this paper, a two battery packs ratio fuzzy logic control model is proposed. The overall aim is to control the charging/discharging current while including both the battery SOC and temperature in the energy management system. The full designs of the proposed controllers are described and simulated using Matlab. The results prove the successfulness of the proposed controller in stabilizing the system voltage during both loading and unloading while keeping the energy storage system in a healthy condition.

Keywords: energy storage system, power shipboard, hybrid ship, thermal runaway

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1682 A Geoprocessing Tool for Early Civil Work Notification to Optimize Fiber Optic Cable Installation Cost

Authors: Hussain Adnan Alsalman, Khalid Alhajri, Humoud Alrashidi, Abdulkareem Almakrami, Badie Alguwaisem, Said Alshahrani, Abdullah Alrowaished

Abstract:

Most of the cost of installing a new fiber optic cable is attributed to civil work-trenching-cost. In many cases, information technology departments receive project proposals in their eReview system, but not all projects are visible to everyone. Additionally, if there was no IT scope in the proposed project, it is not likely to be visible to IT. Sometimes it is too late to add IT scope after project budgets have been finalized. Finally, the eReview system is a repository of PDF files for each project, which commits the reviewer to manual work and limits automation potential. This paper details a solution to address the late notification of the eReview system by integrating IT Sites GIS data-sites locations-with land use permit (LUP) data-civil work activity, which is the first step before securing the required land usage authorizations and means no detailed designs for any relevant project before an approved LUP request. To address the manual nature of eReview system, both the LUP System and IT data are using ArcGIS Desktop, which enables the creation of a geoprocessing tool with either Python or Model Builder to automate finding and evaluating potentially usable LUP requests to reduce trenching between two sites in need of a new FOC. To achieve this, a weekly dump was taken from LUP system production data and loaded manually onto ArcMap Desktop. Then a custom tool was developed in model builder, which consisted of a table of two columns containing all the pairs of sites in need of new fiber connectivity. The tool then iterates all rows of this table, taking the sites’ pair one at a time and finding potential LUPs between them, which satisfies the provided search radius. If a group of LUPs was found, an iterator would go through each LUP to find the required civil work between the two sites and the LUP Polyline feature and the distance through the line, which would be counted as cost avoidance if an IT scope had been added. Finally, the tool will export an Excel file named with sites pair, and it will contain as many rows as the number of LUPs, which met the search radius containing trenching and pulling information and cost. As a result, multiple projects have been identified – historical, missed opportunity, and proposed projects. For the proposed project, the savings were about 75% ($750,000) to install a new fiber with the Euclidean distance between Abqaiq GOSP2 and GOSP3 DCOs. In conclusion, the current tool setup identifies opportunities to bundle civil work on single projects at a time and between two sites. More work is needed to allow the bundling of multiple projects between two sites to achieve even more cost avoidance in both capital cost and carbon footprint.

Keywords: GIS, fiber optic cable installation optimization, eliminate redundant civil work, reduce carbon footprint for fiber optic cable installation

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1681 Square Wave Anodic Stripping Voltammetry of Copper (II) at the Tetracarbonylmolybdenum(0) MWCNT Paste Electrode

Authors: Illyas Isa, Mohamad Idris Saidin, Mustaffa Ahmad, Norhayati Hashim

Abstract:

A highly selective and sensitive electrode for determination of trace amounts of Cu (II) using square wave anodic stripping voltammetry (SWASV) was proposed. The electrode was made of the paste of multiwall carbon nanotubes (MWCNT) and 2,6–diacetylpyridine-di-(1R)–(-)–fenchone diazine tetracarbonylmolybdenum(0) at 100:5 (w/w). Under optimal conditions the electrode showed a linear relationship with concentration in the range of 1.0 × 10–10 to 1.0 × 10– 6 M Cu (II) and limit of detection 8.0 × 10–11 M Cu (II). The relative standard deviation (n = 5) of response to 1.0 × 10–6 M Cu(II) was 0.036. The interferences of cations such as Ni(II), Mg(II), Cd(II), Co(II), Hg(II), and Zn(II) (in 10 and 100-folds concentration) are negligible except from Pb (II). Electrochemical impedance spectroscopy (EIS) showed that the charge transfer at the electrode-solution interface was favorable. Result of analysis of Cu(II) in several water samples agreed well with those obtained by inductively coupled plasma-optical emission spectrometry (ICP-OES). The proposed electrode was then recommended as an alternative to spectroscopic technique in analyzing Cu (II).

Keywords: chemically modified electrode, Cu(II), Square wave anodic stripping voltammetry, tetracarbonylmolybdenum(0)

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1680 Lipid from Activated Sludge as a Feedstock for the Production of Biodiesel

Authors: Ifeanyichukwu Edeh, Tim Overton, Steve Bowra

Abstract:

There is increasing interest in utilising low grade or waste biomass for the production of renewable bioenergy vectors i.e. waste to energy. In this study we have chosen to assess, activated sludge, which is a microbial biomass generated during the second stage of waste water treatment as a source of lipid for biodiesel production. To date a significant proportion of biodiesel is produced from used cooking oil and animal fats. It was reasoned that if activated sludge proved a viable feedstock it has the potential to support increase biodiesel production capacity. Activated sludge was obtained at different times of the year and from two different sewage treatment works in the UK. The biomass within the activated sludge slurry was recovered by filtration and the total weight of material calculated by combining the dry weight of the total suspended solid (TSS) and the total dissolved solid (TDS) fractions. Total lipids were extracted from the TSS and TDS using solvent extraction (Folch methods). The classes of lipids within the total lipid extract were characterised using high performance thin layer chromatography (HPTLC) by referencing known standards. The fatty acid profile and content of the lipid extract were determined using acid mediated-methanolysis to obtain fatty acid methyl esters (FAMEs) which were analysed by gas chromatography and HPTLC. The results showed that there were differences in the total biomass content in the activated sludge collected from different sewage works. Lipid yields from TSS obtained from both sewage treatment works differed according to the time of year (between 3.0 and 7.4 wt. %). The lipid yield varied slightly within the same source of biomass but more widely between the two sewage treatment works. The neutral lipid classes identified were acylglycerols, free fatty acids, sterols and wax esters while the phospholipid class included phosphatidylcholine, lysophosphatidycholine, phosphatidylethanolamine and phosphatidylinositol. The fatty acid profile revealed the presence of palmitic acid, palmitoleic acid, linoleic acid, oleic acid and stearic acid and that unsaturated fatty acids were the most abundant. Following optimisation, the FAME yield was greater than 10 wt. % which was required to have an economic advantage in biodiesel production.

Keywords: activated sludge, biodiesel, lipid, methanolysis

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1679 The Effect of Oxidation Stability Improvement in Calophyllum Inophyllum Palm Oil Methyl Ester Production

Authors: Natalina, Hwai Chyuan Onga, W. T. Chonga

Abstract:

Oxidation stability of biodiesel is very important in fuel handling especially for remote location of biodiesel application. Variety of feedstocks and biodiesel production process resulted many variation of biodiesel oxidation stability. The current study relates to investigation of the impact of fatty acid composition that caused by natural and production process of calophyllum inophyllum palm oil methyl ester that correlated with improvement of biodiesel oxidation stability. Firstly, biodiesel was produced from crude oil of palm oil, calophyllum inophyllum and mixing of calophyllum inophyllum and palm oil. The production process of calophyllum inophyllum palm oil methyl ester (CIPOME) was divided by including washing process and without washing. Secondly, the oxidation stability was measured from the palm oil methyl ester (POME), calophyllum inophyllum methyl ester (CIME), CIPOME with washing process and CIPOME without washing process. Then, in order to find the differences of fatty acid compositions all of the biodiesels were measured by gas chromatography analysis. It was found that mixing calophyllum inophyllum into palm oil increased the oxidation stability. Washing process influenced the CIPOME fatty acid composition, and reduction of washing process during the production process gave significant oxidation stability number of CIPOME (38 h to 114 h).

Keywords: biodiesel, oxidation stability, calophyllum inophyllum, water content

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1678 Study of Launch Recovery Control Dynamics of Retro Propulsive Reusable Rockets

Authors: Pratyush Agnihotri

Abstract:

The space missions are very costly because the transportation to the space is highly expensive and therefore there is the need to achieve complete re-usability in our launch vehicles to make the missions highly economic by cost cutting of the material recovered. Launcher reusability is the most efficient approach to decreasing admittance to space access economy, however stays an incredible specialized hurdle for the aerospace industry. Major concern of the difficulties lies in guidance and control procedure and calculations, specifically for those of the controlled landing stage, which should empower an exact landing with low fuel edges. Although cutting edge ways for navigation and control are present viz hybrid navigation and robust control. But for powered descent and landing of first stage of launch vehicle the guidance control is need to enable on board optimization. At first the CAD model of the launch vehicle I.e. space x falcon 9 rocket is presented for better understanding of the architecture that needs to be identified for the guidance and control solution for the recovery of the launcher. The focus is on providing the landing phase guidance scheme for recovery and re usability of first stage using retro propulsion. After reviewing various GNC solutions, to achieve accuracy in pre requisite landing online convex and successive optimization are explored as the guidance schemes.

Keywords: guidance, navigation, control, retro propulsion, reusable rockets

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1677 Energy Intensity of a Historical Downtown: Estimating the Energy Demand of a Budapest District

Authors: Viktória Sugár, Attila Talamon, András Horkai, Michihiro Kita

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The dense urban fabric of the 7th district of Budapest -known as the former Jewish Quarter-, contains mainly historical style, multi-story tenement houses with courtyards. The high population density and the unsatisfactory energetic state of the buildings result high energy consumption. As a preliminary survey of a complex rehabilitation plan, the authors aim to determine the energy demand of the area. The energy demand was calculated by analyzing the structure and the energy consumption of each building by using Geographic Information System (GIS) methods. The carbon dioxide emission was also calculated, to assess the potential of reducing the present state value by complex structural and energetic rehabilitation. As a main focus of the survey, an energy intensity map has been created about the area.

Keywords: CO₂, energy intensity map, geographic information system (GIS), Hungary, Jewish quarter, rehabilitation

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1676 Magnetocaloric Effect in Ho₂O₃ Nanopowder at Cryogenic Temperature

Authors: K. P. Shinde, M. V. Tien, H. Lin, H.-R. Park, S.-C.Yu, K. C. Chung, D.-H. Kim

Abstract:

Magnetic refrigeration provides an attractive alternative cooling technology due to its potential advantages such as high cooling efficiency, environmental friendliness, low noise, and compactness over the conventional cooling techniques based on gas compression. Magnetocaloric effect (MCE) occurs by changes in entropy (ΔS) and temperature (ΔT) under external magnetic fields. We have been focused on identifying materials with large MCE in two temperature regimes, not only room temperature but also at cryogenic temperature for specific technological applications, such as space science and liquefaction of hydrogen in fuel industry. To date, the commonly used materials for cryogenic refrigeration are based on hydrated salts. In the present work, we report giant MCE in rare earth Ho2O3 nanopowder at cryogenic temperature. HoN nanoparticles with average size of 30 nm were prepared by using plasma arc discharge method with gas composition of N2/H2 (80%/20%). The prepared HoN was sintered in air atmosphere at 1200 oC for 24 hrs to convert it into oxide. Structural and morphological properties were studied by XRD and SEM. XRD confirms the pure phase and cubic crystal structure of Ho2O3 without any impurity within error range. It has been discovered that Holmium oxide exhibits giant MCE at low temperature without magnetic hysteresis loss with the second-order antiferromagnetic phase transition with Néels temperature around 2 K. The maximum entropy change was found to be 25.2 J/kgK at an applied field of 6 T.

Keywords: magnetocaloric effect, Ho₂O₃, magnetic entropy change, nanopowder

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1675 Isolation and Structural Elucidation of 20 Hydroxyecdystone from Vitex doniana Sweet Stem Bark

Authors: Mustapha A. Tijjani, Fanna I. Abdulrahman, Irfan Z. Khan, Umar K. Sandabe, Cong Li

Abstract:

Air dried sample V. doniana after collection and identification was extracted with ethanol and further partition with chloroform, ethyl acetate and n-butanol. Ethanolic extract (11.9g) was fractionated on a silica gel accelerated column chromatography using solvents such as n-hexane, ethyl acetate and methanol. Each eluent fractions (150ml aliquots) were collected and monitored with thin layer chromatography. Fractions with similar Rf values from same solvents system were pooled together. Phytochemical test of all the fractions were performed using standard procedure. Complete elution yielded 48 fractions (150ml/fraction) which were pooled to 24 fractions base on the Rf values. It was further recombined and 12 fractions were obtained on the basis on Rf values and coded Vd1 to Vd12 fractions. Vd8 was further eluted with ethylacetate and methanol and gave fourteen sub fractions Vd8-a, -Vd8-m. Fraction Vd8-a (56mg) gave a white crystal compound coded V1. It was further checked on TLC and observed under ultraviolet lamp and was found to give a single spot. The Rf values were calculated to be 0.433. The melting point was determined using Gallenkamp capillary melting point apparatus and found to be 241-243°C uncorrected. Characterization of the isolated compound coded V1 was done using FT-infra-red spectroscopy, HNMR, 13CNMR(1and 2D) and HRESI-MS. The IR spectrum of compound V1 shows prominent peaks that corresponds to OHstr (3365cm-1) and C=0 (1652cm-1) etc. This spectrum suggests that among the functional moiety in compound V1 are the carbonyl and hydroxyl group. The 1H NMR (400 MHz) spectrum of compound V1 in DMSO-d6 displayed five singlet signals at δ 0.72 (3H, s, H-18), 0.79 (3H, s, H-19), 1.03 (3H, s, H-21), 1.04 (3H, s, H-26), 1.06 (3H, s, H-27) each integrating for three protons indicating the five methyl functional groups present in the compound. It further showed a broad singlet at δ 5.58 integrated for 1 H due to an olefinic H-atom adjacent to the carbonyl carbon atom. Three signals at δ 3.10 (d, J = 9.0 Hz, H-22), 3.59 (m, 1H, 2H-a) and 3.72 (m, 1H, 3H-e), each integrating for one proton is due to oxymethine protons indicating that three oxymethine H-atoms are present in the compound. These all signals are characteristic to the ecdysteroid skeletons. The 13C-NMR spectrum showed the presence of 27 carbon atoms, suggesting that may be steroid skeleton. The DEPT-135 experiment showed the presence of five CH3, eight CH2, and seven CH groups, and seven quaternary C-atoms. The molecular formula was established as C27H44O7 by high resolution electron spray ionization-mass spectroscopy (HRESI-MS) positive ion mode m/z 481.3179. The signals in mass spectrum are 463, 445, and 427 peaks corresponding to losses of one, two, three, or four water molecules characteristic for ecdysterone skeleton reported in the literature. Based on the spectral analysis (HNMR, 13CNMR, DEPT, HMQC, IR, HRESI-MS) the compound V1 is thus concluded to have ecdysteriod skeleton and conclusively conforms with 2β, 3β 14α, 20R, 22R, 25-hexahydroxy-5 β cholest-7-ene-6- one, or 2, 3, 14, 20, 22, 25 hexahydroxy cholest-7-ene-6-one commonly known as 20-hydroxyecdysone.

Keywords: vitex, phytochemical, purification, isolation, chromatography, spectroscopy

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1674 Prospective Future of Frame Fire Tests

Authors: Chung-Hao Wu, Tung-Dju Lin, Ming-Chin Ho, Minehiro Nishiyama

Abstract:

This paper discusses reported fire tests of concrete beams and columns, future fire tests of beam/column frames, and an innovative concept for designing a beam/column furnace. The proposed furnace could be designed to maximize the efficiency of fire test procedures and minimize the cost of furnace construction and fuel consumption. ASTM E119 and ISO 834 standards were drafted based on prescriptive codes and have several weaknesses. The first involves a provision allowing the support regions of a test element to be protected from fire exposure. The second deals with the L/30 deflection end point instead of the structural end point (collapse) in order to protect the hydraulic rams from fire damage. Furthermore, designers commonly use the measured fire endurances of interior columns to assess fire ratings of edge and corner columns of the same building. The validity of such an engineering practice is theoretically unsound. Performance-Based Codes (PBC) require verification tests of structural frames including the beam/column joints to overcome these weaknesses but allow the use of element test data as reference only. In the last 30 years, PBC have gained global popularity because the innovative design and flexibility in achieving an ultimate performance goal.

Keywords: fire resistance, concrete structure, beam/column frame, fire tests

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1673 Plasma Treatment of a Lignite Using Water-Stabilized Plasma Torch at Atmospheric Pressure

Authors: Anton Serov, Alan Maslani, Michal Hlina, Vladimir Kopecky, Milan Hrabovsky

Abstract:

Recycling of organic waste is an increasingly hot topic in recent years. This issue becomes even more interesting if the raw material for the fuel production can be obtained as the result of that recycling. A process of high-temperature decomposition of a lignite (a non-hydrolysable complex organic compound) was studied on the plasma gasification reactor PLASGAS, where water-stabilized plasma torch was used as a source of high enthalpy plasma. The plasma torch power was 120 kW and allowed heating of the reactor to more than 1000 °C. The material feeding rate in the gasification reactor was selected 30 and 60 kg per hour that could be compared with small industrial production. An efficiency estimation of the thermal decomposition process was done. A balance of the torch energy distribution was studied as well as an influence of the lignite particle size and an addition of methane (CH4) in a reaction volume on the syngas composition (H2+CO). It was found that the ratio H2:CO had values in the range of 1,5 to 2,5 depending on the experimental conditions. The recycling process occurred at atmospheric pressure that was one of the important benefits because of the lack of expensive vacuum pump systems. The work was supported by the Grant Agency of the Czech Republic under the project GA15-19444S.

Keywords: atmospheric pressure, lignite, plasma treatment, water-stabilized plasma torch

Procedia PDF Downloads 373
1672 Study the Effect of Sensitization on the Microstructure and Mechanical Properties of Gas Tungsten Arc Welded AISI 304 Stainless Steel Joints

Authors: Viranshu Kumar, Hitesh Arora, Pradeep Joshi

Abstract:

SS 304 is Austenitic stainless steel with Chromium and Nickel as basic constituents. It has excellent corrosion resistance properties and very good weldability. Austenitic stainless steels have superior mechanical properties at high temperatures and are used extensively in a range of applications. SS 304L has wide applications in various industries viz. Nuclear, Pharmaceutical, marine, chemical etc. due to its excellent applications and ease of joining this material has become very popular for fabrication as well as weld surfacing. Austenitic stainless steels have a tendency to form chromium depleted zones at the grain boundaries during welding and heat treatment, where chromium combines with available carbon in the vicinity of the grain boundaries, to produce an area depleted in chromium, and thus becomes susceptible to intergranular corrosion. This phenomenon is known as sensitization.

Keywords: sensitization, SS 304, GTAW, mechanical properties, carbideprecipitationHAZ, microstructure, micro hardness, tensile strength

Procedia PDF Downloads 398
1671 The Effect of H2S on Crystal Structure

Authors: C. Venkataraman B. E., J. Nagarajan B. E., V. Srinivasan M. Tech

Abstract:

For a better understanding on sulfide stress corrosion cracking, a theoretical approach based on crystal structure, molecule behavior, flow of electrons and electrochemical reaction is developed. Its impact on different materials such as carbon steel, low alloy, alloy for sour (H2S) environments is studied. This paper describes the theories on various disaster and failures occurred in the industry by Stress Corrosion Cracking (SCC). Parameters such as pH of process fluid, partial pressure of CO2, O2, Chlorine, effect of internal pressure (crystal structure deformation by stress), and external environment condition are considered. An analytical line graph is then created for process fluid parameter verses time, temperature, induced/residual stress due to local pressure build-up. By comparison with the load test result of NACE and ASTM, it is possible to predict and simplify the control of SCC by use of materials like ferritic, Austenitic material in the oil and gas & petroleum industries.

Keywords: crystal structure deformation, failure assessment, alloy-environment combination, H2S

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1670 Indoor Air Pollution Control Using a Soil Biofilter

Authors: Daisy B. Badilla, Peter A. Gostomski

Abstract:

Abstract: Biofiltration may be used to control indoor air pollution. In biofiltration, microorganisms break down harmful contaminants in air or water, transforming them into non-toxic substances like carbon dioxide, water, and biomass. In this study, the CO₂ production and the elimination capacity (EC) of toluene at inlet concentrations between 20 and 80 ppm were investigated using three biofilters operated separately with soil as bed material. Results showed soil, with its rich microflora taken to full advantage without inoculants and additional nutrients, biodegraded toluene at removal rates comparable to those in other studies at higher concentrations. The amount of CO₂ generated corresponds to the amount of toluene removed, indicating efficient biodegradation and suggesting stable long-term performance at these low concentrations. Although the concentrations in this study differ from typical indoor toluene levels (ppb), the findings suggest that biofiltration could be effective for indoor air pollution control with appropriate design, taking into account biomass growth or biofilm structure, concentration, and gas flow rate.

Keywords: biofiltration, air pollution control, soil, toluene

Procedia PDF Downloads 13
1669 Impact of Insect-Feeding and Fire-Heating Wounding on Wood Properties of Lodgepole Pine

Authors: Estelle Arbellay, Lori D. Daniels, Shawn D. Mansfield, Alice S. Chang

Abstract:

Mountain pine beetle (MPB) outbreaks are currently devastating lodgepole pine forests in western North America, which are also widely disturbed by frequent wildfires. Both MPB and fire can leave scars on lodgepole pine trees, thereby diminishing their commercial value and possibly compromising their utilization in solid wood products. In order to fully exploit the affected resource, it is crucial to understand how wounding from these two disturbance agents impact wood properties. Moreover, previous research on lodgepole pine has focused solely on sound wood and stained wood resulting from the MPB-transmitted blue fungi. By means of a quantitative multi-proxy approach, we tested the hypotheses that (i) wounding (of either MPB or fire origin) caused significant changes in wood properties of lodgepole pine and that (ii) MPB-induced wound effects could differ from those induced by fire in type and magnitude. Pith-to-bark strips were extracted from 30 MPB scars and 30 fire scars. Strips were cut immediately adjacent to the wound margin and encompassed 12 rings from normal wood formed prior to wounding and 12 rings from wound wood formed after wounding. Wood properties evaluated within this 24-year window included ring width, relative wood density, cellulose crystallinity, fibre dimensions, and carbon and nitrogen concentrations. Methods used to measure these proxies at a (sub-)annual resolution included X-ray densitometry, X-ray diffraction, fibre quality analysis, and elemental analysis. Results showed a substantial growth release in wound wood compared to normal wood, as both earlywood and latewood width increased over a decade following wounding. Wound wood was also shown to have a significantly different latewood density than normal wood 4 years after wounding. Latewood density decreased in MPB scars while the opposite was true in fire scars. By contrast, earlywood density was presented only minor variations following wounding. Cellulose crystallinity decreased in wound wood compared to normal wood, being especially diminished in MPB scars the first year after wounding. Fibre dimensions also decreased following wounding. However, carbon and nitrogen concentrations did not substantially differ between wound wood and normal wood. Nevertheless, insect-feeding and fire-heating wounding were shown to significantly alter most wood properties of lodgepole pine, as demonstrated by the existence of several morphological anomalies in wound wood. MPB and fire generally elicited similar anomalies, with the major exception of latewood density. In addition to providing quantitative criteria for differentiating between biotic (MPB) and abiotic (fire) disturbances, this study provides the wood industry with fundamental information on the physiological response of lodgepole pine to wounding in order to evaluate the utilization of scarred trees in solid wood products.

Keywords: elemental analysis, fibre quality analysis, lodgepole pine, wood properties, wounding, X-ray densitometry, X-ray diffraction

Procedia PDF Downloads 319
1668 Electrohydrodynamic Instability and Enhanced Mixing with Thermal Field and Polymer Addition Modulation

Authors: Dilin Chen, Kang Luo, Jian Wu, Chun Yang, Hongliang Yi

Abstract:

Electrically driven flows (EDF) systems play an important role in fuel cells, electrochemistry, bioseparation technology, fluid pumping, and microswimmers. The core scientific problem is multifield coupling, the further development of which depends on the exploration of nonlinear instabilities, force competing mechanisms, and energy budgets. In our study, two categories of electrostatic force-dominated phenomena, induced charge electrosmosis (ICEO) and ion conduction pumping are investigated while considering polymer rheological characteristics and heat gradients. With finite volume methods, the thermal modulation strategy of ICEO under the thermal buoyancy force is numerically analyzed, and the electroelastic instability turn associated with polymer addition is extended. The results reveal that the thermal buoyancy forces are sufficient to create typical thermogravitational convection in competition with electroconvective modes. Electroelastic instability tends to be promoted by weak electrical forces, and polymers effectively alter the unstable transition routes. Our letter paves the way for improved mixing and heat transmission in microdevices, as well as insights into the non-Newtonian nature of electrohydrodynamic dynamics.

Keywords: non-Newtonian fluid, electroosmotic flow, electrohydrodynamic, viscoelastic liquids, heat transfer

Procedia PDF Downloads 68
1667 Characterization of Alloyed Grey Cast Iron Quenched and Tempered for a Smooth Roll Application

Authors: Mohamed Habireche, Nacer E. Bacha, Mohamed Djeghdjough

Abstract:

In the brick industry, smooth double roll crusher is used for medium and fine crushing of soft to medium hard material. Due to opposite inward rotation of the rolls, the feed material is nipped between the rolls and crushed by compression. They are subject to intense wear, known as three-body abrasion, due to the action of abrasive products. The production downtime affecting productivity stems from two sources: the bi-monthly rectification of the roll crushers and their replacement when they are completely worn out. Choosing the right material for the roll crushers should result in longer machine cycles, and reduced repair and maintenance costs. All roll crushers are imported from outside Algeria. This results in sometimes very long delivery times which handicap the brickyards, in particular in respecting delivery times and honored the orders made by customers. The aim of this work is to investigate the effect of alloying additions on microstructure and wear behavior of grey lamellar cast iron for smooth roll crushers in brick industry. The base gray iron was melted in an induction furnace with low frequency at a temperature of 1500 °C, in which return cast iron scrap, new cast iron ingot, and steel scrap were added to the melt to generate the desired composition. The chemical analysis of the bar samples was carried out using Emission Spectrometer Systems PV 8050 Series (Philips) except for the carbon, for which a carbon/sulphur analyser Elementrac CS-i was used. Unetched microstructure was used to evaluate the graphite flake morphology using the image comparison measurement method. At least five different fields were selected for quantitative estimation of phase constituents. The samples were observed under X100 magnification with a Zeiss Axiover T40 MAT optical microscope equipped with a digital camera. SEM microscope equipped with EDS was used to characterize the phases present in the microstructure. The hardness (750 kg load, 5mm diameter ball) was measured with a Brinell testing machine for both treated and as-solidified condition test pieces. The test bars were used for tensile strength and metallographic evaluations. Mechanical properties were evaluated using tensile specimens made as per ASTM E8 standards. Two specimens were tested for each alloy. From each rod, a test piece was made for the tensile test. The results showed that the quenched and tempered alloys had best wear resistance at 400 °C for alloyed grey cast iron (containing 0.62%Mn, 0.68%Cr, and 1.09% Cu) due to fine carbides in the tempered matrix. In quenched and tempered condition, increasing Cu content in cast irons improved its wear resistance moderately. Combined addition of Cu and Cr increases hardness and wear resistance for a quenched and tempered hypoeutectic grey cast iron.

Keywords: casting, cast iron, microstructure, heat treating

Procedia PDF Downloads 105
1666 Development of Catalyst from Waste Egg Shell for Biodiesel Production by Using Waste Vegetable Oil

Authors: Victor Chinecherem Ejeke, Raphael Eze Nnam

Abstract:

The main objective of this research is to produce biodiesel from waste vegetable oil using activated eggshell waste as solid catalysts. A transesterification reaction was performed for the conversion to biodiesel. Waste eggshells were calcined at 700°C, 800°C and 900°C for a time period of 3hrs for the preparation of the renewable catalyst. The calcined waste eggshell catalyst was characterized using X-Ray Florescence (XRF) Spectroscopy, which revealed CaO as the major constituent (90.86%); this was further confirmed by X-Ray Diffraction (XRD) and Fourier Transform Infrared (FTIR) analyses. The prepared catalyst was used for transesterification reaction and the effects of calcination temperature (700 to 900°C), Deep Eutectic Solvent DES loading (3 to 18 wt. %), Waste Egg Shell (WES) catalyst loading (6 to 14 wt. %) on the conversion to biodiesel were studied. The yield of biodiesel using a waste eggshell catalyst (91%) is comparable to conventional catalyst like sodium hydroxide with a yield of 80-90%. The maximum biodiesel production yield was obtained at a specific oil-to methanol molar ratio of 1:10, a temperature of 65°C and a catalyst loading of 14g-wt%. The biodiesel produced was characterized as being composed of methyl Tetradecanoate (C₁₄H₂₈O₂) 30.92% using the Gas Chromatographic (GC-MS) analysis. The fuel properties of the biodiesel (Flashpoint 138ᵒC) were comparable to commercial diesel, and hence it can be used in compression-ignition engines. The results indicated that the catalysts derived from waste eggshell had high potential to be used as biodiesel production catalysts in transesterification of waste vegetable oil with the advantage of reusability and also not requiring water washing steps.

Keywords: waste vegetable oil, catalyst , biodiesel , waste egg shell

Procedia PDF Downloads 211
1665 Thermodynamics of Chlorination of Acid-Soluble Titanium Slag in Molten Salt for Preparation of TiCl4

Authors: Li Liang

Abstract:

Chinese titanium iron ore reserves with high calcium and magnesium accounted for more than 90% of the total reserves, and acid-soluble titanium slag which is produced by titanium iron ore always used to produce titanium dioxide through sulphate process. To broad the application range of acid-soluble titanium slag, the feasibility and thermodynamics of chlorinated reaction for preparation TiCl4 by titanium slag chlorination in molten slat were conducted in this paper. The analysis results show that TiCl4 can be obtained by chlorinate the acid-dissolved titanium slag with carbon. Component’s thermodynamics reaction trend is: CaO>MnO>FeO(FeCl2)>MgO>V2O5>Fe2O3>FeO(FeCl3)>TiO2>Al2O3>SiO2 in the standard state. Industrial experimental results are consistent with the thermodynamics analysis, the content of TiCl4 is more than 98% in the production. Fe, Si, V, Al, and other impurity content can satisfy the requirements of production.

Keywords: thermodynamics, acid-soluble titanium slag, preparation of TiCl4, chlorination

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1664 Electrically Tuned Photoelectrochemical Properties of Ferroelectric PVDF/Cu/PVDF-NaNbO₃ Photoanode

Authors: Simrjit Singh, Neeraj Khare

Abstract:

In recent years, photo-electrochemical (PEC) water splitting with an aim to generate hydrogen (H₂) as a clean and renewable fuel has been the subject of intense research interests. Ferroelectric semiconductors have been demonstrated to exhibit enhanced PEC properties as these can be polarized with the application of an external electric field resulting in a built-in potential which helps in separating out the photogenerated charge carriers. In addition to this, by changing the polarization direction, the energy band alignment at the electrode/electrolyte interface can be modulated in a way that it can help in the easy transfer of the charge carriers from the electrode to the electrolyte. In this paper, we investigated the photoelectrochemical properties of ferroelectric PVDF/Cu/PVDF-NaNbO₃ PEC cell and demonstrated that PEC properties can be tuned with ferroelectric polarization and piezophototronic effect. Photocurrent density is enhanced from ~0.71 mA/cm² to 1.97 mA/cm² by changing the polarization direction. Furthermore, due to flexibility and piezoelectric properties of PVDF/Cu/PVDF-NaNbO₃ PEC cell, a further ~26% enhancement in the photocurrent is obtained using the piezophototronic effect. A model depicting the modulation of band alignment between PVDF and NaNbO₃ with the electric field is proposed to explain the observed tuning of the PEC properties. Electrochemical Impedance spectroscopy measurements support the validity of the proposed model.

Keywords: electrical tuning, H₂ generation, photoelectrochemical, NaNbO₃

Procedia PDF Downloads 171
1663 Preparation and Conductivity Measurements of LSM/YSZ Composite Solid Oxide Electrolysis Cell Anode Materials

Authors: Christian C. Vaso, Rinlee Butch M. Cervera

Abstract:

One of the most promising anode materials for solid oxide electrolysis cell (SOEC) application is the Sr-doped LaMnO3 (LSM) which is known to have a high electronic conductivity but low ionic conductivity. To increase the ionic conductivity or diffusion of ions through the anode, Yttria-stabilized Zirconia (YSZ), which has good ionic conductivity, is proposed to be combined with LSM to create a composite electrode and to obtain a high mixed ionic and electronic conducting anode. In this study, composite of lanthanum strontium manganite and YSZ oxide, La0.8Sr0.2MnO3/Zr0.92Y0.08O2 (LSM/YSZ), with different wt.% compositions of LSM and YSZ were synthesized using solid-state reaction. The obtained prepared composite samples of 60, 50, and 40 wt.% LSM with remaining wt.% of 40, 50, and 60, respectively for YSZ were fully characterized for its microstructure by using powder X-ray diffraction (XRD), Thermogravimetric analysis (TGA), Fourier transform infrared (FTIR), and Scanning electron microscope/Energy dispersive spectroscopy (SEM/EDS) analyses. Surface morphology of the samples via SEM analysis revealed a well-sintered and densified pure LSM, while a more porous composite sample of LSM/YSZ was obtained. Electrochemical impedance measurements at intermediate temperature range (500-700 °C) of the synthesized samples were also performed which revealed that the 50 wt.% LSM with 50 wt.% YSZ (L50Y50) sample showed the highest total conductivity of 8.27x10-1 S/cm at 600 oC with 0.22 eV activation energy.

Keywords: ceramics, microstructure, fuel cells, electrochemical impedance spectroscopy

Procedia PDF Downloads 248
1662 Mechanistic Analysis of an L-2-Haloacid Dehalogenase (DehL) from Rhizobium Sp. RC1: Computational Approach

Authors: Aliyu Adamu, Fahrul Huyop, Roswanira Abdul Wahab, Mohd Shahir Shamsir

Abstract:

Halogenated organic compounds occur in huge amount in biosphere. This is attributable to the diverse use of halogen-based compounds in the synthesis of various industrially important products. Halogenated compound is toxic and may persist in the environment, thereby causing serious health and environmental pollution problems. L-2-haloacid dehalogenases (EC 3.8.1.2) catalyse the specific cleavage of carbon-halogen bond in L-isomers of halogenated compounds, which consequently reverse the effects of environmental halogen-associated pollution. To enhance the efficiency and utility of these enzymes, this study investigates the catalytic amino acid residues and the molecular functional mechanism of DehL, by classical molecular dynamic simulations, MM-PBSA and ab initio fragments molecular orbital (FMO) calculations. The results of the study will serve as the basis for the molecular engineering of the enzyme.

Keywords: DehL, Functional mechanism, Catalytic residues, L-2-haloacid dehalogenase

Procedia PDF Downloads 364