Search results for: Cu-Mn-La oxide catalysts
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1770

Search results for: Cu-Mn-La oxide catalysts

630 Monodisperse Hallow Sandwich MOF for the Catalytic Oxidation of Benzene at Room Temperature

Authors: Srinivasapriyan Vijayan

Abstract:

Phenol is one of the most vital chemical in industry. Nowadays, phenol production is based upon the three-step cumene process, which involves a hazardous cumene hydroperoxide intermediate and produces nearly equimolar amounts of acetone as a coproduct. An attractive route in phenol production is the direct one-step selective hydroxylation of benzene using eco-friendly oxidants such as O2, N2O, and H2O2. In particular, the direct hydroxylation of benzene to form phenol with O2 has recently attracted extensive research attention because this process is green clean and eco-friendly. However, most of the catalytic systems involving O2 have a low rate of hydroxylation because the direct introduction of hydroxyl functionality into benzene is challenging. Almost all the developed catalytic systems require an elevated temperature and suffer from low conversion because of the notoriously low reactivity of aromatic C–H bonds. Moreover, increased reactivity of phenol relative to benzene makes the selective oxidation of benzene to phenol very difficult, especially under heating conditions. Hollow spheres, a very fascinating class of materials with good permeation and low density, highly monodisperse MOF hollow sandwich spheres have been rationally synthesized using monodisperse polystyrene (PS) nanoparticles as templates through a versatile step-by-step self-assembly strategy. So, our findings could pave the way toward highly efficient nonprecious catalysts for low-temperature oxidation reactions in heterogeneous catalysis. Because it is easy post-reaction separation, its cheap, green and recyclable.

Keywords: benzene hydroxylation, Fe-based metal organic frameworks, molecular oxygen, phenol

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629 Flowsheet Development, Simulation and Optimization of Carbon-Di-Oxide Removal System at Natural Gas Reserves by Aspen–Hysys Process Simulator

Authors: Mohammad Ruhul Amin, Nusrat Jahan

Abstract:

Natural gas is a cleaner fuel compared to the others. But it needs some treatment before it is in a state to be used. So natural gas purification is an integral part of any process where natural gas is used as raw material or fuel. There are several impurities in natural gas that have to be removed before use. CO2 is one of the major contaminants. In this project we have removed CO2 by amine process by using MEA solution. We have built up the whole amine process for removing CO2 in Aspen Hysys and simulated the process. At the end of simulation we have got very satisfactory results by using MEA solution for the removal of CO2. Simulation result shows that amine absorption process enables to reduce CO2 content from NG by 58%. HYSYS optimizer allowed us to get a perfect optimized plant. After optimization the profit of existing plant is increased by 2.34 %.Simulation and optimization by Aspen-HYSYS simulator makes available us to enormous information which will help us to further research in future.

Keywords: Aspen–Hysys, CO2 removal, flowsheet development, MEA solution, natural gas optimization

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628 An Improved Approach for Hybrid Rocket Injection System Design

Authors: M. Invigorito, G. Elia, M. Panelli

Abstract:

Hybrid propulsion combines beneficial properties of both solid and liquid rockets, such as multiple restarts, throttability as well as simplicity and reduced costs. A nitrous oxide (N2O)/paraffin-based hybrid rocket engine demonstrator is currently under development at the Italian Aerospace Research Center (CIRA) within the national research program HYPROB, funded by the Italian Ministry of Research. Nitrous oxide belongs to the class of self-pressurizing propellants that exhibit a high vapor pressure at standard ambient temperature. This peculiar feature makes those fluids very attractive for space rocket applications because it avoids the use of complex pressurization systems, leading to great benefits in terms of weight savings and reliability. To avoid feed-system-coupled instabilities, the phase change is required to occur through the injectors. In this regard, the oxidizer is stored in liquid condition while target chamber pressures are designed to lie below vapor pressure. The consequent cavitation and flash vaporization constitute a remarkably complex phenomenology that arises great modelling challenges. Thus, it is clear that the design of the injection system is fundamental for the full exploitation of hybrid rocket engine throttability. The Analytical Hierarchy Process has been used to select the injection architecture as best compromise among different design criteria such as functionality, technology innovation and cost. The impossibility to use engineering simplified relations for the dimensioning of the injectors led to the needs of applying a numerical approach based on OpenFOAM®. The numerical tool has been validated with selected experimental data from literature. Quantitative, as well as qualitative comparisons are performed in terms of mass flow rate and pressure drop across the injector for several operating conditions. The results show satisfactory agreement with the experimental data. Modeling assumptions, together with their impact on numerical predictions are discussed in the paper. Once assessed the reliability of the numerical tool, the injection plate has been designed and sized to guarantee the required amount of oxidizer in the combustion chamber and therefore to assure high combustion efficiency. To this purpose, the plate has been designed with multiple injectors whose number and diameter have been selected in order to reach the requested mass flow rate for the two operating conditions of maximum and minimum thrust. The overall design has been finally verified through three-dimensional computations in cavitating non-reacting conditions and it has been verified that the proposed design solution is able to guarantee the requested values of mass flow rates.

Keywords: hybrid rocket, injection system design, OpenFOAM®, cavitation

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627 Bioactive Rare Acetogenins from the Red Alga Laurencia obtusa

Authors: Mohamed A. Ghandourah, Walied M. Alarif, Nahed O. Bawakid

Abstract:

Halogenated cyclic enynes and terpenoids are commonly identified among secondary metabolites of the genus Laurencia. Laurencian acetogenins are entirly C15 non-terpenoid haloethers with different carbocyclic nuclei; a specimen of the Red Sea red alga L. obtusa was investigated for its acetogenin content. The dichloromethane extract of the air-dried red algal material was fractionated on aluminum oxide column preparative thin-layer chromatography. Three new rare C12 acetogenin derivatives (1-3) were isolated from the organic extract obtained from Laurencia obtusa, collected from the territorial Red Sea water of Saudi Arabia. The structures of the isolated metabolites were established by means of spectroscopical data analyses. Examining the isolated compounds in activated human peripheral blood mononuclear cells (PBMC) revealed potent Anti-inflammatory activity as evidenced by inhibition of NFκB and release of other inflammatory mediators like TNF-α, IL-1β and IL-6.

Keywords: Red Sea, red algae, fatty acids, spectroscopy, anti-inflammatory

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626 Development of Single Layer of WO3 on Large Spatial Resolution by Atomic Layer Deposition Technique

Authors: S. Zhuiykov, Zh. Hai, H. Xu, C. Xue

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Unique and distinctive properties could be obtained on such two-dimensional (2D) semiconductor as tungsten trioxide (WO3) when the reduction from multi-layer to one fundamental layer thickness takes place. This transition without damaging single-layer on a large spatial resolution remained elusive until the atomic layer deposition (ALD) technique was utilized. Here we report the ALD-enabled atomic-layer-precision development of a single layer WO3 with thickness of 0.77±0.07 nm on a large spatial resolution by using (tBuN)2W(NMe2)2 as tungsten precursor and H2O as oxygen precursor, without affecting the underlying SiO2/Si substrate. Versatility of ALD is in tuning recipe in order to achieve the complete WO3 with desired number of WO3 layers including monolayer. Governed by self-limiting surface reactions, the ALD-enabled approach is versatile, scalable and applicable for a broader range of 2D semiconductors and various device applications.

Keywords: Atomic Layer Deposition (ALD), tungsten oxide, WO₃, two-dimensional semiconductors, single fundamental layer

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625 Theoretical Evaluation of Oxirane and Aziridine Opening Regioselectivity, Solvent Effect, and Strength of Nucleophilic and Nucleofugal Groups for the Preparation of Benzimidazole-Fused 1,4-Benzoxazepine

Authors: M. Abdoul-Hakim, a. Zeroual, H. Garmes

Abstract:

In a route for the preparation of 1,4-benzoxazepine fused to benzimidazole, the use of 2-(2-methoxyphenyl)-benzimidazole or styrene-derived N-tosylaziridine does not give the desired products. On this basis, we theoretically studied this reaction using DFT at the B3LYP/6-31+G(d) level. The analysis of the results shows a preferential nucleophilic attack of 2-(2-fluorophenyl)-benzimidazole on the terminal carbon atom of the Alkylepoxides and on the substituted carbon of N-tosylaziridine. Taking into account the solvent effect (DMF) makes the reactions spontaneous for the opening of epoxides and N-tosylaziridine and disfavors the intramolecularnucleophilic aromatic substitution reaction step of the products of the attack of 2-(2-methoxyphenyl)benzimidazole on an epoxide and those of the opening of N-tosylaziridine, which is consistent with the experiment.

Keywords: alkylepoxides, 4-benzoxazepine fused to benzimidazole imine, benzonitrile N-oxide, DFT, intramolecular nucleophilic aromatic substitution, N-tosyl aziridine

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624 Flexible Poly(vinylidene fluoride-co-hexafluoropropylene) Nanocomposites Filled with Ternary Nanofillers for Energy Harvesting

Authors: D. Ponnamma, E. Alper, P. Sharma, M. A. AlMaadeed

Abstract:

Integrating efficient energy harvesting materials into soft, flexible and eco-friendly substrates could yield significant breakthroughs in wearable and flexible electronics. Here we present a tri phasic filler combination of one-dimensional titanium dioxide nanotubes, two-dimensional reduced graphene oxide, and three-dimensional strontium titanate, introduced into a semi crystalline polymer, Poly(vinylidene fluoride-co-hexafluoropropylene). Simple mixing method is adopted for the composite fabrication after ensuring a high interaction among the various fillers. The films prepared were mainly tested for the piezoelectric responses and the mechanical stretchability. The results show that the piezoelectric constant has increased while changing the total filler concentration. We propose an integration of these materials in fabricating energy conversion devices useful in flexible and wearable electronics.

Keywords: dielectric property, hydrothermal growth, piezoelectricity, polymer nanocomposites

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623 A Novel Nanocomposite Membrane Designed for the Treatment of Oil/Gas Produced Water

Authors: Zhaoyang Liu, Detao Qin, Darren Delai Sun

Abstract:

The onshore production of oil and gas (for example, shale gas) generates large quantities of wastewater, referred to be ‘produced water’, which contains high contents of oils and salts. The direct discharge of produced water, if not appropriately treated, can be toxic to the environment and human health. Membrane filtration has been deemed as an environmental-friendly and cost-effective technology for treating oily wastewater. However, conventional polymeric membranes have their drawbacks of either low salt rejection rate or high membrane fouling tendency when treating oily wastewater. Recent years, forward osmosis (FO) membrane filtration has emerged as a promising technology with its unique advantages of low operation pressure and less membrane fouling tendency. However, until now there is still no report about FO membranes specially designed and fabricated for treating the oily and salty produced water. In this study, a novel nanocomposite FO membrane was developed specially for treating oil- and salt-polluted produced water. By leveraging the recent advance of nanomaterials and nanotechnology, this nanocomposite FO membrane was designed to be made of double layers: an underwater oleophobic selective layer on top of a nanomaterial infused polymeric support layer. Wherein, graphene oxide (GO) nanosheets were selected to add into the polymeric support layer because adding GO nanosheets can optimize the pore structures of the support layer, thus potentially leading to high water flux for FO membranes. In addition, polyvinyl alcohol (PVA) hydrogel was selected as the selective layer because hydrated and chemically-crosslinked PVA hydrogel is capable of simultaneously rejecting oil and salt. After nanocomposite FO membranes were fabricated, the membrane structures were systematically characterized with the instruments of TEM, FESEM, XRD, ATR-FTIR, surface zeta-potential and Contact angles (CA). The membrane performances for treating produced waters were tested with the instruments of TOC, COD and Ion chromatography. The working mechanism of this new membrane was also analyzed. Very promising experimental results have been obtained. The incorporation of GO nanosheets can reduce internal concentration polarization (ICP) effect in the polymeric support layer. The structural parameter (S value) of the new FO membrane is reduced by 23% from 265 ± 31 μm to 205 ± 23 μm. The membrane tortuosity (τ value) is decreased by 20% from 2.55 ± 0.19 to 2.02 ± 0.13 μm, which contributes to the decrease of S value. Moreover, the highly-hydrophilic and chemically-cross-linked hydrogel selective layer present high antifouling property under saline oil/water emulsions. Compared with commercial FO membrane, this new FO membrane possesses three times higher water flux, higher removal efficiencies for oil (>99.9%) and salts (>99.7% for multivalent ions), and significantly lower membrane fouling tendency (<10%). To our knowledge, this is the first report of a nanocomposite FO membrane with the combined merits of high salt rejection, high oil repellency and high water flux for treating onshore oil/gas produced waters. Due to its outstanding performance and ease of fabrication, this novel nanocomposite FO membrane possesses great application potential in wastewater treatment industry.

Keywords: nanocomposite, membrane, polymer, graphene oxide

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622 Electrocoagulation of Ni(OH)2/NiOOH for the Removal of Boron Using Nickel Foam as Sacrificial Anode

Authors: Yu-Jen Shih, Yao-Hui Hunag

Abstract:

Electrocoagulation (EC) using metallic nickel foam as anode and cathode for the removal of boron from solution was studied. The electrolytic parameters included pH, current density, and initial boron concentration for optimizing the EC process. Experimental results showed that removal efficiency was increased by elevating pH from 4.0 to 8.0, and then decreased at higher pH. The electrolytic efficacy was not affected by current density. In respect of energy consumption, 1.25 mA/cm2 of current density was acceptable for an effective EC of boron, while increasing boric acid from 10 to 100 ppm-B did not impair removal efficiency too much. Cyclic voltammetry indicated that the oxide film, Ni(OH)2 and NiOOH, at specific overpotentials would result in less weight loss of anode than that predicted by the Faraday’s law. The optimal conditions under which 99.2% of boron was removed and less than 1 ppm-B remained in the electrolyte would be pH 8, four pairs of electrodes, and 1.25 mA/cm2 in 120 min as treating wastewaters containing 10 ppm-B. XRD and SEM characterization suggested that the granular crystallites of hydroxide precipitates was composed of theophrastite.

Keywords: borohydrides, hydrogen generation, NiOOH, electrocoagulation, cyclic voltammetry, boron removal

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621 Hot Corrosion Behavior of Calcium Zirconate Modified YSZ Coatings

Authors: Naveed Ejaz, Liaqat Ali, Amer Nusair

Abstract:

Thermal barrier coatings (TBCs) serve as thermal barriers against the high temperature of the hot regions of the aircraft turbine engines keeping the surface of the turbine blades, vanes and combustion chamber at comparatively lower temperature. The life of these coatings depends on many in-service environmental factors. Among these factors, the behavior of the bond coat as well as the top coat at high temperature aggravated by the corrosive environments having S, V, Na and Cl plays a key role. The incorporation of the 5-15% CaZrO3 in YSZ coatings was studied after hot corrosion in vanadium oxide environment. It was observed that the reactivity of the V gradually switched from Y to Ca making CaV2O4 instead of YVO4; the percentage of CaV2O4 increased with the increase of CaZrO3 in YSZ. It eventually prevented leaching out of the Y from YSZ leaving the YSZ without any harmful phase change. The thermal insulation was found to be improved in case of CaZrO3 incorporated YSZ coatings as compared to only YSZ coating.

Keywords: hot corrosion, thermal barrier coatings, yttria stabilized zirconia, calcium zirconate

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620 Antioxidants Effects on Sperm Parameter in Varicocelized Male Rat

Authors: Mehdi Abbasi, Masoumeh Majidi Zolbin

Abstract:

Varicocele is one of the common causes of infertility in 30-50% of married men which occurs within the spermatic cord. It can be considered as an abnormal dilatation and stasis of veins of the pampiniform plexus that drain the testis. It occurs in 15-20% of the male population. Inducible nitric oxide synthase (NOS) activity has been frequently reported in varicose veins. Several studies have considered the relationship between varicocele and semen NO concentrations. NOS isoforms have been shown to regulate a number of functions, e.g., sperm motility and maturation and germ cell apoptosis in the testes. In adult patients with varicocele, the amount of NO levels in the varicose veins are 25 times higher than in serum of peripheral veins. The aim of this study was to review the effect of different antioxidant that we applied so far on sperm parameters as well as sperm DNA fragmentation. The findings of this study suggest that antioxidants improve sperm parameters which are associated with infertility in varicocelized rats, and treatment can reduce damage to sperm DNA and increase the chance of fertility.

Keywords: antioxidant, rat, sperm parameter, varicocele

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619 Electrochemical Study of Interaction of Thiol Containing Proteins with As (III)

Authors: Sunil Mittal, Sukhpreet Singh, Hardeep Kaur

Abstract:

The affinity of thiol group with heavy metals is a well-established phenomenon. The present investigation has been focused on electrochemical response of cysteine and thioredoxin against arsenite (As III) on indium tin oxide (ITO) electrodes. It was observed that both the compounds produce distinct response in free and immobilised form at the electrode. The SEM, FTIR, and impedance studies of the modified electrode were conducted for characterization. Various parameters were optimized to achieve As (III) effect on the reduction potential of the compounds. Cyclic voltammetry and linear sweep voltammetry were employed as the analysis techniques. The optimum response was observed at neutral pH in both the cases, at optimum concentration of 2 mM and 4.27 µM for cysteine and thioredoxin respectively. It was observed that presence of As (III) increases the reduction current of both the moieties. The linear range of detection for As (III) with cysteine was from 1 to 10 mg L⁻¹ with detection limit of 0.8 mg L⁻¹. The thioredoxin was found more sensitive to As (III) and displayed a linear range from 0.1 to 1 mg L⁻¹ with detection limit of 10 µg L⁻¹.

Keywords: arsenite, cyclic voltammetry, cysteine, thioredoxin

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618 Electrochemical Performance of Al-Mn2O3 Based Electrode Materials

Authors: Noor Ul Ain Bhatti, M. Junaid Khan, Javed Ahmad, Murtaza Saleem, Shahid M. Ramay, Saadat A. Siddiqi

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Manganese oxide is being recently used as electrode material for rechargeable batteries. In this study, Al incorporated Mn2O3 compositions were synthesized to study the effect of Al doping on electrochemical performance of host material. Structural studies were carried out using X-ray diffraction analysis to confirm the phase stability and explore the lattice parameters, crystallite size, lattice strain, density and cell volume. Morphology and composition were analyzed using field emission scanning electron microscope and energy dispersive X-ray spectroscopy, respectively. Dynamic light scattering analysis was performed to observe the average particle size of the compositions. FTIR measurements exhibit the O-Al-O and O-Mn-O and Al-O bonding and with increasing the concentration of Al, the vibrational peaks of Mn-O become sharper. An enhanced electrochemical performance was observed in compositions with higher Al content.

Keywords: Mn2O3, electrode materials, energy storage and conversion, electrochemical performance

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617 Optimization of Synergism Extraction of Toxic Metals (Lead, Copper) from Chlorides Solutions with Mixture of Cationic and Solvating Extractants

Authors: F. Hassaine-Sadi, S. Chelouaou

Abstract:

In recent years, environmental contamination by toxic metals such as Pb, Cu, Ni, Zn ... has become a worldwide crucial problem, particularly in some areas where the population depends on groundwater for drinking daily consumption. Thus, the sources of metal ions come from the metal manufacturing industry, fertilizers, batteries, paints, pigments and so on. Solvent extraction of metal ions has given an important role in the development of metal purification processes such as the synergistic extraction of some divalent cations metals ( M²⁺), the ions metals from various sources. This work consists of a water purification technique that involves the lead and copper systems: Pb²⁺, H₃O+, Cl⁻ and Cu²⁺, H₃O⁺, Cl⁻ for diluted solutions by a mixture of tri-n-octylphosphine oxide (TOPO) or Tri-n-butylphosphate(TBP) and di (2-ethyl hexyl) phosphoric acid (HDEHP) dissolved in kerosene. The study of the fundamental parameters influencing the extraction synergism: cation exchange/extraction solvent have been examined.

Keywords: synergistic extraction, lead, copper, environment

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616 Nucleophile Mediated Addition-Fragmentation Generation of Aryl Radicals from Aryl Diazonium Salts

Authors: Elene Tatunashvili, Bun Chan, Philippe E. Nashar, Christopher S. P. McErlean

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The reduction of aryl diazonium salts is one of the most efficient ways to generate aryl radicals for use in a wide range of transformations, including Sandmeyer-type reactions, Meerwein arylations of olefins and Gomberg-Bachmann-Hey arylations of heteroaromatic systems. The aryl diazonium species can be reduced electrochemically, by UV irradiation, inner-sphere and outer-sphere single electron transfer processes (SET) from metal salts, SET from photo-excited organic catalysts or fragmentation of adducts with weak bases (acetate, hydroxide, etc.). This paper details an approach for the metal-free reduction of aryl diazonium salts, which facilitates the efficient synthesis of various aromatic compounds under exceedingly mild reaction conditions. By measuring the oxidation potential of a number of organic molecules, a series of nucleophiles were identified that reduce aryl diazonium salts via the addition-fragmentation mechanism. This approach leads to unprecedented operational simplicity: The reactions are very rapid and proceed in the open air; there is no need for external irradiation or heating, and the process is compatible with a large number of radical reactions. We illustrate these advantages by using the addition-fragmentation strategy to regioselectively arylate a series of heterocyclic compounds, to synthesize ketones by arylation of silyl enol ethers, and to synthesize benzothiophene and phenanthrene derivatives by radical annulation reactions.

Keywords: diazonium salts, hantzsch esters, oxygen, radical reactions, synthetic methods

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615 Design, Construction And Validation Of A Simple, Low-cost Phi Meter

Authors: Gabrielle Peck, Ryan Hayes

Abstract:

The use of a phi meter allows for definition of equivalence ratio during a fire test. Previous phi meter designs have used expensive catalysts and had restricted portability due to the large furnace and requirement for pure oxygen. The new design of the phi meter did not require the use of a catalyst. The furnace design was based on the existing micro-scale combustion calorimetry (MCC) furnace and operating conditions based on the secondary oxidizer furnace used in the steady state tube furnace (SSTF). Preliminary tests were conducted to study the effects of varying furnace temperatures on combustion efficiency. The SSTF was chosen to validate the phi meter measurements as it can both pre-set and independently quantify the equivalence ratio during a test. The data were in agreement with the data obtained on the SSTF. It was also validated by a comparison of CO2 yields obtained from the SSTF oxidizer and those obtained by the phi meter. The phi meter designed and constructed in this work was proven to work effectively on a bench-scale. The phi meter was then used to measure the equivalence ratio on a series of large-scale ISO 9705 tests for numerous fire conditions. The materials used were a range of non-homogenous materials such as polyurethane. The measurements corresponded accurately to the data collected, showing the novel design can be used from bench to large-scale tests to measure equivalence ratio. This cheaper, more portable, safer and easier to use phi meter design will enable more widespread use and the ability to quantify fire conditions of tests, allowing for better understanding of flammability and smoke toxicity.

Keywords: phi meter, smoke toxicity, fire condition, ISO9705, novel equipment

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614 Coarse-Graining in Micromagnetic Simulations of Magnetic Hyperthermia

Authors: Razyeh Behbahani, Martin L. Plumer, Ivan Saika-Voivod

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Micromagnetic simulations based on the stochastic Landau-Lifshitz-Gilbert equation are used to calculate dynamic magnetic hysteresis loops relevant to magnetic hyperthermia applications. With the goal to effectively simulate room-temperature loops for large iron-oxide based systems at relatively slow sweep rates on the order of 1 Oe/ns or less, a coarse-graining scheme is proposed and tested. The scheme is derived from a previously developed renormalization-group approach. Loops associated with nanorods, used as building blocks for larger nanoparticles that were employed in preclinical trials (Dennis et al., 2009 Nanotechnology 20 395103), serve as the model test system. The scaling algorithm is shown to produce nearly identical loops over several decades in the model grain sizes. Sweep-rate scaling involving the damping constant alpha is also demonstrated.

Keywords: coarse-graining, hyperthermia, hysteresis loops, micromagnetic simulations

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613 Solid-State Sodium Conductor for Solid-State Battery

Authors: Yumei Wang, Xiaoyu Xu, Li Lu

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Solid-state battery adopts solid-state electrolyte such as oxide- and composite-based solid electrolytes. With the adaption of nonflammable or less flammable solid electrolytes, the safety of solid-state batteries can be largely increased. NASICON (Na₃Zr₂Si₂PO₁₂, NZSP) is one of the sodium ion conductors that possess relatively high ionic conductivity, wide electrochemical stable range and good chemical stability. Therefore, it has received increased attention. We report the development of high-density NZSP through liquid phase sintering and its organic-inorganic composite electrolyte. Through reactive liquid phase sintering, the grain boundary conductivity can be largely enhanced while using an organic-inorganic composite electrolyte, interfacial wetting and impedance can be largely reduced hence being possible to fabricate scalable solid-state batteries.

Keywords: solid-state electrolyte, composite electrolyte, electrochemical performance, conductivity

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612 Characterization of Carbazole-Based Host Material for Highly Efficient Thermally Activated Delayed Fluorescence Emitter

Authors: Malek Mahmoudi, Jonas Keruckas, Dmytro Volyniuk, Jurate Simokaitiene, Juozas V. Grazulevicius

Abstract:

Host materials have been discovered as one of the most appealing methods for harvesting triplet states in organic materials for application in organic light-emitting diodes (OLEDs). The ideal host-guest system for emission in thermally delayed fluorescence OLEDs with 20% guest concentration for efficient energy transfer has been demonstrated in the present investigation. In this work, 3,3'-bis[9-(4-fluorophenyl) carbazole] (bFPC) has been used as the host, which induces balanced charge carrier transport for high-efficiency OLEDs.For providing a complete characterization of the synthesized compound, photophysical, photoelectrical, charge-transporting, and electrochemical properties of the compound have been examined. Excited-state lifetimes and singlet-triplet energy gaps were measured for characterization of photophysical properties, while thermogravimetric analysis, as well as differential scanning calorimetry measurements, were performed for probing of electrochemical and thermal properties of the compound. The electrochemical properties of this compound were investigated by cyclic voltammetry (CV) method, and ionization potential (IPCV) value of 5.68 eV was observed. UV–Vis absorption and photoluminescence spectrum of a solution of the compound in toluene (10-5 M) showed maxima at 302 and 405 nm, respectively. Photoelectron emission spectrometry was used for the characterization of charge-injection properties of the studied compound in solid. The ionization potential of this material was found to be 5.78 eV, and time-of-flight measurement was used for testing charge-transporting properties and hole mobility estimated using this technique in a vacuum-deposited layer reached 4×10-4 cm2 V-1s-1. Since the compound with high charge mobilities was tested as a host in an organic light-emitting diode. The device was fabricated by successive deposition onto a pre-cleaned indium tin oxide (ITO) coated glass substrate under a vacuum of 10-6 Torr and consisting of an indium-tin-oxide anode, hole injection and transporting layer(MoO3, NPB), emitting layer with bFPC as a host and 4CzIPN (2,4,5,6-tetra(9-carbazolyl)isophthalonitrile) which is a new highly efficient green thermally activated delayed fluorescence (TADF) material as an emitter, an electron transporting layer(TPBi) and lithium fluoride layer topped with aluminum layer as a cathode exhibited the highest maximum current efficiency and power efficiency of 33.9 cd/A and 23.5 lm/W, respectively and the electroluminescence spectrum showed only a peak at 512nm. Furthermore, the new bicarbazole-based compound was tested as a host in thermally activated delayed fluorescence organic light-emitting diodes are reaching luminance of 25300 cd m-2 and external quantum efficiency of 10.1%. Interestingly, the turn-on voltage was low enough (3.8 V), and such a device can be used for highly efficient light sources.

Keywords: thermally-activated delayed fluorescence, host material, ionization energy, charge mobility, electroluminescence

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611 Optical and Magnetic Properties of Ferromagnetic Co-Ni Co-Doped TiO2 Thin Films

Authors: Rabah Bensaha, Badreddine Toubal

Abstract:

We investigate the structural, optical and magnetic properties of TiO2, Co-doped TiO2, Ni-doped TiO2 and Co-Ni co-doped TiO2 thin films prepared by the sol-gel dip coating method. Fully anatase phase was obtained by adding metal ions without any detectable impurity phase or oxide formed. AFM and SEM micrographs clearly confirm that the addition of Co-Ni affects the shape of anatase nanoparticles. The crystallite sizes and surface roughness of TiO2 films increase with Co-doping, Ni-doping and Co–Ni co-doping, respectively. The refractive index, thickness and optical band gap values of the films were obtained by means of optical transmittance spectra measurements. The band gap of TiO2 sample was decreased by Co-doping, Ni-doping and Co–Ni co-doping TiO2 films. Both undoped and Co-Ni co-doped films were found to be ferromagnetic at room temperature may due to the presence of oxygen vacancy defect and the probable formation of metal clusters Co-Ni.

Keywords: Co-Ni co-doped, anatase TiO2, ferromagnetic, sol-gel method, thin films

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610 Investigating the Influence of Potassium Ion Doping on Lithium-Ion Battery Performance

Authors: Liyew Yizengaw Yitayih

Abstract:

This nanotechnology study focuses on how potassium ions (K+) affect lithium-ion (Li-ion) battery performance. By adding potassium ions (K+) to the lithium tin oxide (LiSnO) anode and employing styrene-butadiene rubber (SBR) as a binder, the doping of K+ was specifically studied. The methods employed in this study include computer modeling and simulation, material fabrication, and electrochemical characterization. The potassium ions (Li+) were successfully doped into the LiSnO lattice during charge/discharge cycles, which increased the lithium-ion diffusivity and electrical conductivity within the anode. However, it was found that internal doping of potassium ions (K+) into the LiSnO lattice occurred at high potassium ion concentrations (>16.6%), which hampered lithium ion transfer because of repulsion and physical blockage. The electrochemical efficiency of lithium-ion batteries was improved by this comprehensive study's presentation of potassium ions' (K+) potential advantages when present in the appropriate concentrations in electrode materials.

Keywords: lithium-ion battery, LiSnO anode, potassium doping, lithium-ion diffusivity, electronic conductivity

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609 Drying Shrinkage of Magnesium Silicate Hydrate Gel Cements

Authors: T. Zhang, X. Liang, M. Lorin, C. Cheeseman, L. J. Vandeperre

Abstract:

Cracks were observed when the magnesium silicate hydrate gel cement (prepared by 40% MgO/ 60% silica fume) was dried. This drying cracking is believed to be caused when unbound water evaporates from the binder. The shrinkage upon forced drying to 200 °C of mortars made up from a reactive magnesium oxide, silica fume and sand was measured using dilatometry. The magnitude of the drying shrinkage was found to decrease when more sand or less water was added to the mortars and can be as low as 0.16% for a mortar containing 60 wt% sand and a water to cement ratio of 0.5, which is of a similar order of magnitude as observed in Portland cement based mortars and concretes. A simple geometrical interpretation based on packing of the particles in the mortar can explain the observed drying shrinkages and based on this analysis the drying shrinkage of the hydration products at zero added solid is estimated to be 7.3% after 7 days of curing.

Keywords: magnesium silicate hydrate, shrinkage, dilatometry, gel cements

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608 Local Activities of the Membranes Associated with Glycosaminoglycan-Chitosan Complexes in Bone Cells

Authors: Chih-Chang Yeh, Min-Fang Yang, Hsin-I Chang

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Chitosan is a cationic polysaccharide derived from the partial deacetylation of chitin. Hyaluronic acid (HA), chondroitin sulfate (CS) and heparin (HP) are anionic glycosaminoglycans (GCGs) which can regulate osteogenic activity. In this study, chitosan membranes were prepared by glutaraldehyde crosslinking reaction and then complexed with three different types of GCGs. 7F2 osteoblasts-like cells and macrophages Raw264.7 were used as models to study the influence of chitosan membranes on osteometabolism. Although chitosan membranes are highly hydrophilic, the membranes associated with GCG-chitosan complexes showed about 60-70% cell attachment. Furthermore, the membranes associated with HP-chitosan complexes could increase ALP activity in comparison with chitosan films only. Three types of the membranes associated with GCG-chitosan complexes could significantly inhibit LPS induced-nitric oxide expression. In addition, chitosan membranes associated with HP and HA can down-regulate tartrate-resistant acid phosphatase (TRAP) activity but not CS-chitosan complexes. Based on these results, we conclude that chitosan membranes associated with HP can increase ALP activity in osteoblasts and chitosan membranes associated with HP and HA reduce TRAP activity in osteoclasts.

Keywords: osteoblast, osteoclast, chitosan, glycosaminoglycan

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607 Carbon Aerogel Spheres from Resorcinol/Phenol and Formaldehyde for CO₂ Adsorption

Authors: Jessica Carolina Hernandez Galeano, Juan Carlos Moreno Pirajan, Liliana Giraldo

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Carbon gels are materials whose structure and porous texture can be designed and controlled on a nanoscale. Among their characteristics it is found their low density, large surface area and high degree of porosity. These materials are produced by a sol-gel polymerization of organic monomers using basic or acid catalysts, followed by drying and controlled carbonization. In this work, the synthesis and characterization of carbon aerogels from resorcinol, phenol and formaldehyde in ethanol is described. The aim of this study is obtaining different carbonaceous materials in the form of spheres using the Stöber method to perform a further evaluation of CO₂ adsorption of each material. In general, the synthesis consisted of a sol-gel polymerization process that generates a cluster (cross-linked organic monomers) from the precursors in the presence of NH₃ as a catalyst. This cluster was subjected to specific conditions of gelling and curing (30°C for 24 hours and 100°C for 24 hours, respectively) and CO₂ supercritical drying. Finally, the dry material was subjected to a process of carbonization or pyrolysis, in N₂ atmosphere at 350°C (1° C / min) for 2 h and 600°C (1°C / min) for 4 hours, to obtain porous solids that retain the structure initially desired. For this work, both the concentrations of the precursors and the proportion of ammonia in the medium where modify to describe the effect of the use of phenol and the amount of catalyst in the resulting material. Carbon aerogels were characterized by Scanning Electron Microscope (SEM), N₂ isotherms, infrared spectroscopy (IR) and X-ray Powder Diffraction (XRD) showing the obtention of carbon spheres in the nanometric scale with BET areas around 500 m2g-1.

Keywords: carbon aerogels, carbon spheres, CO₂ adsorption, Stöber method

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606 Stability Optimization of NABH₄ via PH and H₂O:NABH₄ Ratios for Large Scale Hydrogen Production

Authors: Parth Mehta, Vedasri Bai Khavala, Prabhu Rajagopal, Tiju Thomas

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There is an increasing need for alternative clean fuels, and hydrogen (H₂) has long been considered a promising solution with a high calorific value (142MJ/kg). However, the storage of H₂ and expensive processes for its generation have hindered its usage. Sodium borohydride (NaBH₄) can potentially be used as an economically viable means of H₂ storage. Thus far, there have been attempts to optimize the life of NaBH₄ (half-life) in aqueous media by stabilizing it with sodium hydroxide (NaOH) for various pH values. Other reports have shown that H₂ yield and reaction kinetics remained constant for all ratios of H₂O to NaBH₄ > 30:1, without any acidic catalysts. Here we highlight the importance of pH and H₂O: NaBH₄ ratio (80:1, 40:1, 20:1 and 10:1 by weight), for NaBH₄ stabilization (half-life reaction time at room temperature) and corrosion minimization of H₂ reactor components. It is interesting to observe that at any particular pH>10 (e.g., pH = 10, 11 and 12), the H₂O: NaBH₄ ratio does not have the expected linear dependence with stability. On the contrary, high stability was observed at the ratio of 10:1 H₂O: NaBH₄ across all pH>10. When the H₂O: NaBH₄ ratio is increased from 10:1 to 20:1 and beyond (till 80:1), constant stability (% degradation) is observed with respect to time. For practical usage (consumption within 6 hours of making NaBH₄ solution), 15% degradation at pH 11 and NaBH₄: H₂O ratio of 10:1 is recommended. Increasing this ratio demands higher NaOH concentration at the same pH, thus requiring a higher concentration or volume of acid (e.g., HCl) for H₂ generation. The reactions are done with tap water to render the results useful from an industrial standpoint. The observed stability regimes are rationalized based on complexes associated with NaBH₄ when solvated in water, which depend sensitively on both pH and NaBH₄: H₂O ratio.

Keywords: hydrogen, sodium borohydride, stability optimization, H₂O:NaBH₄ ratio

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605 Detection of Nanotoxic Material Using DNA Based QCM

Authors: Juneseok You, Chanho Park, Kuehwan Jang, Sungsoo Na

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Sensing of nanotoxic materials is strongly important, as their engineering applications are growing recently and results in that nanotoxic material can harmfully influence human health and environment. In current study we report the quartz crystal microbalance (QCM)-based, in situ and real-time sensing of nanotoxic-material by frequency shift. We propose the in situ detection of nanotoxic material of zinc oxice by using QCM functionalized with a taget-specific DNA. Since the mass of a target material is comparable to that of an atom, the mass change caused by target binding to DNA on the quartz electrode is so small that it is practically difficult to detect the ions at low concentrations. In our study, we have demonstrated the in-situ and fast detection of zinc oxide using the quartz crystal microbalance (QCM). The detection was derived from the DNA hybridization between the DNA on the quartz electrode. The results suggest that QCM-based detection opens a new avenue for the development of a practical water-testing sensor.

Keywords: nanotoxic material, qcm, frequency, in situ sensing

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604 Synthesis, Characterization of Pd Nanoparticle Supported on Amine-Functionalized Graphene and Its Catalytic Activity for Suzuki Coupling Reaction

Authors: Surjyakanta Rana, Sreekantha B. Jonnalagadda

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Synthesis of well distributed Pd nanoparticles (3 – 7 nm) on organo amine-functionalized graphene is reported, which demonstrated excellent catalytic activity towards Suzuki coupling reaction. The active material was characterized by X-ray diffraction (XRD), BET surface area, X-ray photoelectron spectra (XPS), Fourier-transfer infrared spectroscopy (FTIR), Raman spectra, Scanning electron microscope (SEM), Transmittance electron microscopy (TEM) analysis and HRTEM. FT-IR revealed that the organic amine functional group was successfully grafted onto the graphene oxide surface. The formation of palladium nanoparticles was confirmed by XPS, TEM and HRTEM techniques. The catalytic activity in the coupling reaction was superb with 100% conversion and 98 % yield and also activity remained almost unaltered up to six cycles. Typically, an extremely high turnover frequency of 185,078 h-1 is observed in the C-C Suzuki coupling reaction using organo di-amine functionalized graphene as catalyst.

Keywords: Di-amine, graphene, Pd nanoparticle, suzuki coupling

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603 Petrology and Hydrothermal Alteration Mineral Distribution of Wells La-9D and La-10D in Aluto Geothermal Field, Ethiopia

Authors: Dereje Moges Azbite

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Laboratory analysis of igneous rocks is performed with the help of the main oxide plots. The lithology of the two wells was identified using the main oxides obtained using the XRF method. Twenty-four (24) cutting samples with different degrees of alteration were analyzed to determine and identify the rock types by plotting these well samples on special diagrams and correlating with the regional rocks. The results for the analysis of the main oxides and trace elements of 24 samples are presented. Alteration analysis in the two well samples was conducted for 21 samples from two wells for identifying clay minerals. Bulk sample analysis indicated quartz, illite & micas, calcite, cristobalite, smectite, pyrite, epidote, alunite, chlorite, wairakite, diaspore, and kaolin minerals present in both wells. Hydrothermal clay minerals such as illite, chlorite, smectite, and kaoline minerals were identified in both wells by X-ray diffraction.

Keywords: igneous rocks, major oxides, tracer elements, XRF, XRD, alteration minerals

Procedia PDF Downloads 83
602 Adsorption of Reactive Dye Using Entrapped nZVI

Authors: P. Gomathi Priya, M. E. Thenmozhi

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Iron nanoparticles were used to cleanup effluents. This paper involves synthesis of iron nanoparticles chemically by sodium borohydride reduction of ammonium ferrous sulfate solution (FAS). Iron oxide nanoparticles have lesser efficiency of adsorption than Zero Valent Iron nanoparticles (nZVI). Glucosamine acts as a stabilizing agent and chelating agent to prevent Iron nanoparticles from oxidation. nZVI particles were characterized using Scanning Electron Microscopy (SEM). Thus, the synthesized nZVI was subjected to entrapment in biopolymer, viz. barium (Ba)-alginate beads. The beads were characterized using SEM. Batch dye degradation studies were conducted using Reactive black Water soluble Nontoxic Natural substances (WNN) dye which is one of the most hazardous dyes used in textile industries. Effect of contact time, effect of pH, initial dye concentration, adsorbent dosage, isotherm and kinetic studies were carried out.

Keywords: ammonium ferrous sulfate solution, barium, alginate beads, reactive black WNN dye, zero valent iron nanoparticles

Procedia PDF Downloads 317
601 Life Cycle Assessment Comparison between Methanol and Ethanol Feedstock for the Biodiesel from Soybean Oil

Authors: Pawit Tangviroon, Apichit Svang-Ariyaskul

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As the limited availability of petroleum-based fuel has been a major concern, biodiesel is one of the most attractive alternative fuels because it is renewable and it also has advantages over the conventional petroleum-base diesel. At Present, productions of biodiesel generally perform by transesterification of vegetable oils with low molecular weight alcohol, mainly methanol, using chemical catalysts. Methanol is petrochemical product that makes biodiesel producing from methanol to be not pure renewable energy source. Therefore, ethanol as a product produced by fermentation processes. It appears as a potential feed stock that makes biodiesel to be pure renewable alternative fuel. The research is conducted based on two biodiesel production processes by reacting soybean oils with methanol and ethanol. Life cycle assessment was carried out in order to evaluate the environmental impacts and to identify the process alternative. Nine mid-point impact categories are investigated. The results indicate that better performance on Abiotic Depletion Potential (ADP) and Acidification Potential (AP) are observed in biodiesel production from methanol when compared with biodiesel production from ethanol due to less energy consumption during the production processes. Except for ADP and AP, using methanol as feed stock does not show any advantages over biodiesel from ethanol. The single score method is also included in this study in order to identify the best option between two processes of biodiesel production. The global normalization and weighting factor based on eco-taxes are used and it shows that producing biodiesel form ethanol has less environmental load compare to biodiesel from methanol.

Keywords: biodiesel, ethanol, life cycle assessment, methanol, soybean oil

Procedia PDF Downloads 204