Search results for: rhodium cobalt bimetallic catalyst
513 Adsorption of Atmospheric Gases Using Atomic Clusters
Authors: Vidula Shevade, B. J. Nagare, Sajeev Chacko
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First principles simulation, meaning density functional theory (DFT) calculations with plane waves and pseudopotential, has become a prized technique in condensed matter theory. Nanoparticles (NP) have been known to possess good catalytic activities, especially for molecules such as CO, O₂, etc. Among the metal NPs, Aluminium based NPs are also widely known for their catalytic properties. Aluminium metal is a lightweight, excellent electrical, and thermal abundant chemical element in the earth’s crust. Aluminium NPs, when added to solid rocket fuel, help improve the combustion speed and considerably increase combustion heat and combustion stability. Adding aluminium NPs into normal Al/Al₂O₃ powder improves the sintering processes of the ceramics, with high heat transfer performance, increased density, and enhanced thermal conductivity of the sinter. We used VASP and Gaussian 0₃ package to compute the geometries, electronic structure, and bonding properties of Al₁₂Ni as well as its interaction with O₂ and CO molecules. Several MD simulations were carried out using VASP at various temperatures from which hundreds of structures were optimized, leading to 24 unique structures. These structures were then further optimized through a Gaussian package. The lowest energy structure of Al₁₂Ni has been reported to be a singlet. However, through our extensive search, we found a triplet state to be lower in energy. In our structure, the Ni atom is found to be on the surface, which gives the non-zero magnetic moment. Incidentally, O2 and CO molecules are also triplet in nature, due to which the Al₁₂-Ni cluster is likely to facilitate the oxidation process of the CO molecule. Our results show that the most favourable site for the CO molecule is the Ni atom and that for the O₂ molecule is the Al atom that is nearest to the Ni atom. Al₁₂Ni-O₂ and Al₁₂-Ni-CO structures we extracted using VMD. Al₁₂Ni nanocluster, due to in triplet electronic structure configuration, indicates it to be a potential candidate as a catalyst for oxidation of CO molecules.Keywords: catalyst, gaussian, nanoparticles, oxidation
Procedia PDF Downloads 91512 The Application of New Ligands including Different Atoms and Evaluation of Their Nucleophile Effects against Various Metals
Authors: Saman Hajmohamadi, Sohrab Hajmohamadi
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The objectives of this experiment were to investigate the application of new ligands including different atoms and evaluation of their nucleophile effects against various metals. Chemistry researchers are really interested in this field. From among various ligands, there are some ligands with different coordinating ligands as well. There are great number of intermediate complexes and major elements of organic compositions with various atoms. There is a regular adding of new compositions. Complexes are the most important chemical combinations with various catalysts and biological, medicinal and other applications. Those complexes with ligands including different atom givers are really important and their synthesis could solve most of chemical problems. Supplying of new ligands is an important and key part of coordination chemistry which may cause some varieties and different properties in complexes with equal central nucleus. As a result, this research has evaluated new ligands including different coordination atoms, such as oxygen, nitrogen etc. along with their behavior against various metals like copper, nickel, iron etc.Keywords: ligands, nucleophile, iron, cobalt, copper
Procedia PDF Downloads 196511 Versatile Variation of Fischer Indolization in Green Synthesis of Nitro Substituted Tetrahydrocarbazole
Authors: Zubi Sadiq, Ghazala Yaqub, Almas Hamid
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We wish to report herein a very stimulating variation in Fischer indole reaction by adopting solvent and catalyst free conditions. A concise synthesis of dinitro tetrahydrocarbazole derivative 3 was introduced without the use of any accelerating agent at ambient temperature with fairly good yield. Product was fully corroborated by UV, FTIR, 1H NMR, 13C NMR, MS, and CHN analysis.Keywords: fischer indole reaction, neutral medium, solvent free synthesis, tetrahydrocarbazole
Procedia PDF Downloads 347510 Selective Solvent Extraction of Calcium and Magnesium from Concentrate Nickel Solutions Using Mixtures of Cyanex 272 and D2EHPA
Authors: Alexandre S. Guimarães, Marcelo B. Mansur
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The performance of organophosphorus extractants Cyanex 272 and D2EHPA on the purification of concentrate nickel sulfate solutions was evaluated. Batch scale tests were carried out at pH range of 2 to 7 using a laboratory solution simulating concentrate nickel liquors as those typically obtained when sulfate intermediates from nickel laterite are re-leached and treated for the selective removal of cobalt, zinc, manganese and copper with Cyanex 272 ([Ca] = 0.57 g/L, [Mg] = 3.2 g/L, and [Ni] = 88 g/L). The increase on the concentration of D2EHPA favored the calcium extraction. The extraction of magnesium is dependent on the pH and of ratio of extractants D2EHPA and Cyanex 272 in the organic phase. The composition of the investigated organic phase did not affect nickel extraction. The number of stages is dependent on the magnesium extraction. The most favorable operating condition to selectively remove calcium and magnesium was determined.Keywords: solvent extraction, organophosphorus extractants, alkaline earth metals, nickel
Procedia PDF Downloads 519509 Near Ambient Pressure Photoelectron Spectroscopy Studies of CO Oxidation on Spinel Co3O4 Surfaces: Electronic Structure and Mechanistic Aspects of Wet and Dry CO Oxidation
Authors: Ruchi Jain, Chinnakonda S. Gopinath
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The CO oxidation is a primary reaction in heterogeneous catalysis due to its potential to overcome the air pollution caused by various reasons. Indeed, in the study of sustainable catalysis, the role played by water is very important. The present work is focused on studying the effect of moisture on the sustainability of Co3O4 NR catalyst for CO oxidation reaction at ambient temperature. The catalytic activity, electronic structure and the mechanistic aspects of spinel Co3O4 nanorod surfaces have been explored in dry and wet atmosphere by near-ambient pressure photoelectron spectroscopic techniques (NAP-PES) with conventional x-ray (Al kα) and ultraviolet sources (He-I).Comparative NAPPES studies have been employed to understand the elucidation of the catalytic reaction pathway and the evolution of various surface species. The presence of water with CO+O2 plummet the catalytic activity due to the change in electronic nature from predominantly oxidic (without water in the feed) to few intermediates covered Co3O4 surface. However, ≥ 375 K Co3O4 surface recovers and regain oxidation activity, at least partially, even in the presence of water. Above mentioned observations are fully supported by the changes observed in the work function of Co3O4 in the presence of wet (H2O+CO+O2) compared to dry (CO+O2) conditions. Various type of surface species, such as CO(ads), carbonate, formate, are found to be on the catalyst surface depending on the reaction conditions. Under dry condition, CO couples with labile O atoms to form CO2, however under wet conditions it also interacts with surface OH groups results in the formation carbonate and formate intermediate. The carbonate acts at reaction inhibitor at room temperature, however proves as active intermediate at temperature 375 K or above. On the other hand, formate has proved to be reaction spectator due to its high stability. The intrinsic role of these species to suppress the oxidation has been demonstrated through a possible reaction mechanism under different reaction conditions.Keywords: heterogeneous catalysis, surface chemistry, photoelectron spectroscopy, ambient oxidation
Procedia PDF Downloads 252508 The Power of in situ Characterization Techniques in Heterogeneous Catalysis: A Case Study of Deacon Reaction
Authors: Ramzi Farra, Detre Teschner, Marc Willinger, Robert Schlögl
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Introduction: The conventional approach of characterizing solid catalysts under static conditions, i.e., before and after reaction, does not provide sufficient knowledge on the physicochemical processes occurring under dynamic conditions at the molecular level. Hence, the necessity of improving new in situ characterizing techniques with the potential of being used under real catalytic reaction conditions is highly desirable. In situ Prompt Gamma Activation Analysis (PGAA) is a rapidly developing chemical analytical technique that enables us experimentally to assess the coverage of surface species under catalytic turnover and correlate these with the reactivity. The catalytic HCl oxidation (Deacon reaction) over bulk ceria will serve as our example. Furthermore, the in situ Transmission Electron Microscopy is a powerful technique that can contribute to the study of atmosphere and temperature induced morphological or compositional changes of a catalyst at atomic resolution. The application of such techniques (PGAA and TEM) will pave the way to a greater and deeper understanding of the dynamic nature of active catalysts. Experimental/Methodology: In situ Prompt Gamma Activation Analysis (PGAA) experiments were carried out to determine the Cl uptake and the degree of surface chlorination under reaction conditions by varying p(O2), p(HCl), p(Cl2), and the reaction temperature. The abundance and dynamic evolution of OH groups on working catalyst under various steady-state conditions were studied by means of in situ FTIR with a specially designed homemade transmission cell. For real in situ TEM we use a commercial in situ holder with a home built gas feeding system and gas analytics. Conclusions: Two complimentary in situ techniques, namely in situ PGAA and in situ FTIR were utilities to investigate the surface coverage of the two most abundant species (Cl and OH). The OH density and Cl uptake were followed under multiple steady-state conditions as a function of p(O2), p(HCl), p(Cl2), and temperature. These experiments have shown that, the OH density positively correlates with the reactivity whereas Cl negatively. The p(HCl) experiments give rise to increased activity accompanied by Cl-coverage increase (opposite trend to p(O2) and T). Cl2 strongly inhibits the reaction, but no measurable increase of the Cl uptake was found. After considering all previous observations we conclude that only a minority of the available adsorption sites contribute to the reactivity. In addition, the mechanism of the catalysed reaction was proposed. The chlorine-oxygen competition for the available active sites renders re-oxidation as the rate-determining step of the catalysed reaction. Further investigations using in situ TEM are planned and will be conducted in the near future. Such experiments allow us to monitor active catalysts at the atomic scale under the most realistic conditions of temperature and pressure. The talk will shed a light on the potential and limitations of in situ PGAA and in situ TEM in the study of catalyst dynamics.Keywords: CeO2, deacon process, in situ PGAA, in situ TEM, in situ FTIR
Procedia PDF Downloads 280507 Catalytic Performance of Fe3O4 Nanoparticles (Fe3O4 NPs) in the Synthesis of Pyrazolines
Authors: Ali Gharib, Leila Vojdanifard, Nader Noroozi Pesyan
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Different Pyrazoline derivatives were synthesized by cyclization of substituted chalcone derivatives in presence of hydrazine hydrate. A series of novel 1,3,5-triaryl pyrazoline derivatives has been synthesized by the reaction of chalcone and phenylhydrazine in the presence of the Fe3O4 NPs, in high yields. The structures of compounds obtained were determined by IR and 1H NMR spectra. Fe3O4 NPs was recycled and no appreciable change in activity was noticed after three cycles.Keywords: pyrazoline, chalcone, nanoparticles, Fe3O4, catalyst, synthesis
Procedia PDF Downloads 392506 The Gasoil Hydrofining Kinetics Constants Identification
Authors: C. Patrascioiu, V. Matei, N. Nicolae
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The paper describes the experiments and the kinetic parameters calculus of the gasoil hydrofining. They are presented experimental results of gasoil hidrofining using Mo and promoted with Ni on aluminum support catalyst. The authors have adapted a kinetic model gasoil hydrofining. Using this proposed kinetic model and the experimental data they have calculated the parameters of the model. The numerical calculus is based on minimizing the difference between the experimental sulf concentration and kinetic model estimation.Keywords: hydrofining, kinetic, modeling, optimization
Procedia PDF Downloads 428505 Co₂Fe LDH on Aromatic Acid Functionalized N Doped Graphene: Hybrid Electrocatalyst for Oxygen Evolution Reaction
Authors: Biswaranjan D. Mohapatra, Ipsha Hota, Swarna P. Mantry, Nibedita Behera, Kumar S. K. Varadwaj
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Designing highly active and low-cost oxygen evolution (2H₂O → 4H⁺ + 4e⁻ + O₂) electrocatalyst is one of the most active areas of advanced energy research. Some precious metal-based electrocatalysts, such as IrO₂ and RuO₂, have shown excellent performance for oxygen evolution reaction (OER); however, they suffer from high-cost and low abundance which limits their applications. Recently, layered double hydroxides (LDHs), composed of layers of divalent and trivalent transition metal cations coordinated to hydroxide anions, have gathered attention as an alternative OER catalyst. However, LDHs are insulators and coupled with carbon materials for the electrocatalytic applications. Graphene covalently doped with nitrogen has been demonstrated to be an excellent electrocatalyst for energy conversion technologies such as; oxygen reduction reaction (ORR), oxygen evolution reaction (OER) & hydrogen evolution reaction (HER). However, they operate at high overpotentials, significantly above the thermodynamic standard potentials. Recently, we reported remarkably enhanced catalytic activity of benzoate or 1-pyrenebutyrate functionalized N-doped graphene towards the ORR in alkaline medium. The molecular and heteroatom co-doping on graphene is expected to tune the electronic structure of graphene. Therefore, an innovative catalyst architecture, in which LDHs are anchored on aromatic acid functionalized ‘N’ doped graphene may presumably boost the OER activity to a new benchmark. Herein, we report fabrication of Co₂Fe-LDH on aromatic acid (AA) functionalized ‘N’ doped reduced graphene oxide (NG) and studied their OER activities in alkaline medium. In the first step, a novel polyol method is applied for synthesis of AA functionalized NG, which is well dispersed in aqueous medium. In the second step, Co₂Fe LDH were grown on AA functionalized NG by co-precipitation method. The hybrid samples are abbreviated as Co₂Fe LDH/AA-NG, where AA is either Benzoic acid or 1, 3-Benzene dicarboxylic acid (BDA) or 1, 3, 5 Benzene tricarboxylic acid (BTA). The crystal structure and morphology of the samples were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscope (TEM). These studies confirmed the growth of layered single phase LDH. The electrocatalytic OER activity of these hybrid materials was investigated by rotating disc electrode (RDE) technique on a glassy carbon electrode. The linear sweep voltammetry (LSV) on these catalyst samples were taken at 1600rpm. We observed significant OER performance enhancement in terms of onset potential and current density on Co₂Fe LDH/BTA-NG hybrid, indicating the synergic effect. This exploration of molecular functionalization effect in doped graphene and LDH system may provide an excellent platform for innovative design of OER catalysts.Keywords: π-π functionalization, layered double hydroxide, oxygen evolution reaction, reduced graphene oxide
Procedia PDF Downloads 201504 La₀.₈Ba₀.₂FeO₃ Perovskite as an Additive in the Three-Way Catalyst (TWCs) for Reduction of PGMs Loading
Authors: Mahshid Davoodpoor, Zahra Shamohammadi Ghahsareh, Saeid Razfar, Alaleh Dabbaghi
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Nowadays, air pollution has become a topic of great concern all over the world. One of the main sources of air pollution is automobile exhaust gas, which introduces a large number of toxic gases, including CO, unburned hydrocarbons (HCs), NOx, and non-methane hydrocarbons (NMHCs), into the air. The application of three-way catalysts (TWCs) is still the most effective strategy to mitigate the emission of these pollutants. Due to the stringent environmental regulations which continuously become stricter, studies on the TWCs are ongoing despite several years of research and development. This arises from the washcoat complexity and the several numbers of parameters involved in the redox reactions. The main objectives of these studies are the optimization of washcoat formulation and the investigation of different coating modes. Perovskite (ABO₃), as a promising class of materials, has unique features that make it versatile to use as an alternative to commonly mixed oxides in washcoats. High catalytic activity for oxidation reactions and its relatively high oxygen storage capacity are important properties of perovskites in catalytic applications. Herein, La₀.₈Ba₀.₂FeO₃ perovskite material was synthesized using the co-precipitation method and characterized by XRD, ICP, and BET analysis. The effect of synthesis conditions, including B site metal (Fe and Co), metal precursor concentration, and dopant (Ba), were examined on the phase purity of the products. The selected perovskite sample was used as one of the components in the TWC formulation to evaluate its catalytic performance through Light-off, oxygen storage capacity, and emission analysis. Results showed a remarkable increment in oxygen storage capacity and also revealed that T50 and emission of CO, HC, and NOx reduced in the presence of perovskite structure which approves the enhancement of catalytic performance for the new washcoat formulation. This study shows the brilliant future of advanced oxide structures in the TWCs.Keywords: Perovskite, three-way catalyst, PGMs, PGMs reduction
Procedia PDF Downloads 59503 The Use of Additives to Prevent Fouling in Polyethylene and Polypropylene Gas and Slurry Phase Processes
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All polyethylene processes are highly exothermic, and the safe removal of the heat of reaction is a fundamental issue in the process design. In slurry and gas processes, the velocity of the polymer particles in the reactor and external coolers can be very high, and under certain conditions, this can lead to static charging of these particles. Such static charged polymer particles may start building up on the reactor wall, limiting heat transfer, and ultimately leading to severe reactor fouling and forced reactor shut down. Statsafe™ is an FDA approved anti-fouling additive currently used around the world for polyolefin production as an anti-fouling additive. The unique polymer chemistry aids static discharge, which prevents the build-up of charged polyolefin particles, which could lead to fouling. Statsafe™ is being used and trailed in gas, slurry, and a combination of these technologies around the world. We will share data to demonstrate how the use of Statsafe™ allows more stable operation at higher solids level by eliminating static, which would otherwise prevent closer packing of particles in the hydrocarbon slurry. Because static charge generation depends also on the concentration of polymer particles in the slurry, the maximum slurry concentration can be higher when using Statsafe™, leading to higher production rates. The elimination of fouling also leads to less downtime. Special focus will be made on the impact anti-static additives have on catalyst performance within the polymerization process and how this has been measured. Lab-scale studies have investigated the effect on the activity of Ziegler Natta catalysts when anti-static additives are used at various concentrations in gas and slurry, polyethylene and polypropylene processes. An in-depth gas phase study investigated the effect of additives on the final polyethylene properties such as particle size, morphology, fines, bulk density, melt flow index, gradient density, and melting point.Keywords: anti-static additives, catalyst performance, FDA approved anti-fouling additive, polymerisation
Procedia PDF Downloads 195502 Light Harvesting Titanium Nanocatalyst for Remediation of Methyl Orange
Authors: Brajesh Kumar, Luis Cumbal
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An eco-friendly Citrus paradisi peel extract mediated synthesis of TiO2 nanoparticles is reported under sonication. U.V.-vis, Transmission Electron Microscopy, Dynamic Light Scattering and X-ray analyses are performed to characterize the formation of TiO2 nanoparticles. It is almost spherical in shape, having a size of 60–140 nm and the XRD peaks at 2θ = 25.363° confirm the characteristic facets for anatase form. The synthesized nano catalyst is highly active in the decomposition of methyl orange (64 mg/L) in sunlight (~73%) for 2.5 hours.Keywords: eco-friendly, TiO2 nanoparticles, citrus paradisi, TEM
Procedia PDF Downloads 522501 Synthesis and Characterization of the Carbon Spheres Built Up from Reduced Graphene Oxide
Authors: Takahiro Saida, Takahiro Kogiso, Takahiro Maruyama
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The ordered structural carbon (OSC) material is expected to apply to the electrode of secondary batteries, the catalyst supports, and the biomaterials because it shows the low substance-diffusion resistance by its uniform pore size. In general, the OSC material is synthesized using the template material. Changing size and shape of this template provides the pore size of OSC material according to the purpose. Depositing the oxide nanosheets on the polymer sphere template by the layer by layer (LbL) method was reported as one of the preparation methods of OSC material. The LbL method can provide the controlling thickness of structural wall without the surface modification. When the preparation of the uniform carbon sphere prepared by the LbL method which composed of the graphene oxide wall and the polymethyl-methacrylate (PMMA) core, the reduction treatment will be the important object. Since the graphene oxide has poor electron conductivity due to forming a lot of functional groups on the surface, it could be hard to apply to the electrode of secondary batteries and the catalyst support of fuel cells. In this study, the graphene oxide wall of carbon sphere was reduced by the thermal treatment under the vacuum conditions, and its crystalline structure and electronic state were characterized. Scanning electron microscope images of the carbon sphere after the heat treatment at 300ºC showed maintaining sphere shape, but its shape was collapsed with increasing the heating temperature. In this time, the dissolution rate of PMMA core and the reduction rate of graphene oxide were proportionate to heating temperature. In contrast, extending the heating time was conducive to the conservation of the sphere shape. From results of X-ray photoelectron spectroscopy analysis, its electronic state of the surface was indicated mainly sp² carbon. From the above results, we succeeded in the synthesis of the sphere structure composed by the reduction graphene oxide.Keywords: carbon sphere, graphene oxide, reduction, layer by layer
Procedia PDF Downloads 137500 Carbon Nanotube-Based Catalyst Modification to Improve Proton Exchange Membrane Fuel Cell Interlayer Interactions
Authors: Ling Ai, Ziyu Zhao, Zeyu Zhou, Xiaochen Yang, Heng Zhai, Stuart Holmes
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Optimizing the catalyst layer structure is crucial for enhancing the performance of proton exchange membrane fuel cells (PEMFCs) with low Platinum (Pt) loading. Current works focused on the utilization, durability, and site activity of Pt particles on support, and performance enhancement has been achieved by loading Pt onto porous support with different morphology, such as graphene, carbon fiber, and carbon black. Some schemes have also incorporated cost considerations to achieve lower Pt loading. However, the design of the catalyst layer (CL) structure in the membrane electrode assembly (MEA) must consider the interactions between the layers. Addressing the crucial aspects of water management, low contact resistance, and the establishment of effective three-phase boundary for MEA, multi-walled carbon nanotubes (MWCNTs) are promising CL support due to their intrinsically high hydrophobicity, high axial electrical conductivity, and potential for ordered alignment. However, the drawbacks of MWCNTs, such as strong agglomeration, wall surface chemical inertness, and unopened ends, are unfavorable for Pt nanoparticle loading, which is detrimental to MEA processing and leads to inhomogeneous CL surfaces. This further deteriorates the utilization of Pt and increases the contact resistance. Robust chemical oxidation or nitrogen doping can introduce polar functional groups onto the surface of MWCNTs, facilitating the creation of open tube ends and inducing defects in tube walls. This improves dispersibility and load capacity but reduces length and conductivity. Consequently, a trade-off exists between maintaining the intrinsic properties and the degree of functionalization of MWCNTs. In this work, MWCNTs were modified based on the operational requirements of the MEA from the viewpoint of interlayer interactions, including the search for the optimal degree of oxidation, N-doping, and micro-arrangement. MWCNT were functionalized by oxidizing, N-doping, as well as micro-alignment to achieve lower contact resistance between CL and proton exchange membrane (PEM), better hydrophobicity, and enhanced performance. Furthermore, this work expects to construct a more continuously distributed three-phase boundary by aligning MWCNT to form a locally ordered structure, which is essential for the efficient utilization of Pt active sites. Different from other chemical oxidation schemes that used HNO3:H2SO4 (1:3) mixed acid to strongly oxidize MWCNT, this scheme adopted pure HNO3 to partially oxidize MWCNT at a lower reflux temperature (80 ℃) and a shorter treatment time (0 to 10 h) to preserve the morphology and intrinsic conductivity of MWCNT. The maximum power density of 979.81 mw cm-2 was achieved by Pt loading on 6h MWCNT oxidation time (Pt-MWCNT6h). This represented a 59.53% improvement over the commercial Pt/C catalyst of 614.17 (mw cm-2). In addition, due to the stronger electrical conductivity, the charge transfer resistance of Pt-MWCNT6h in the electrochemical impedance spectroscopy (EIS) test was 0.09 Ohm cm-2, which was 48.86% lower than that of Pt/C. This study will discuss the developed catalysts and their efficacy in a working fuel cell system. This research will validate the impact of low-functionalization modification of MWCNTs on the performance of PEMFC, which simplifies the preparation challenges of CL and contributing for the widespread commercial application of PEMFCs on a larger scale.Keywords: carbon nanotubes, electrocatalyst, membrane electrode assembly, proton exchange membrane fuel cell
Procedia PDF Downloads 58499 Carbon Nanotubes Functionalization via Ullmann-Type Reactions Yielding C-C, C-O and C-N Bonds
Authors: Anna Kolanowska, Anna Kuziel, Sławomir Boncel
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Carbon nanotubes (CNTs) represent a combination of lightness and nanoscopic size with high tensile strength, excellent thermal and electrical conductivity. By now, CNTs have been used as a support in heterogeneous catalysis (CuCl anchored to pre-functionalized CNTs) in the Ullmann-type coupling with aryl halides toward formation of C-N and C-O bonds. The results indicated that the stability of the catalyst was much improved and the elaborated catalytic system was efficient and recyclable. However, CNTs have not been considered as the substrate itself in the Ullmann-type reactions. But if successful, this functionalization would open new areas of CNT chemistry leading to enhanced in-solvent/matrix nanotube individualization. The copper-catalyzed Ullmann-type reaction is an attractive method for the formation of carbon-heteroatom and carbon-carbon bonds in organic synthesis. This condensation reaction is usually conducted at temperature as high as 200 oC, often in the presence of stoichiometric amounts of copper reagent and with activated aryl halides. However, a small amount of organic additive (e.g. diamines, amino acids, diols, 1,10-phenanthroline) can be applied in order to increase the solubility and stability of copper catalyst, and at the same time to allow performing the reaction under mild conditions. The copper (pre-)catalyst is prepared by in situ mixing of copper salt and the appropriate chelator. Our research is focused on the application of Ullmann-type reaction for the covalent functionalization of CNTs. Firstly, CNTs were chlorinated by using iodine trichloride (ICl3) in carbon tetrachloride (CCl4). This method involves formation of several chemical species (ICl, Cl2 and I2Cl6), but the most reactive is the dimer. The fact (that the dimer is the main individual in CCl4) is the reason for high reactivity and possibly high functionalization levels of CNTs. This method, indeed, yielded a notable amount of chlorine onto the MWCNT surface. The next step was the reaction of CNT-Cl with three substrates: aniline, iodobenzene and phenol for the formation C-N, C-C and C-O bonds, respectively, in the presence of 1,10-phenanthroline and cesium carbonate (Cs2CO3) as a base. As the CNT substrates, two multi-wall CNT (MWCNT) types were used: commercially available Nanocyl NC7000™ (9.6 nm diameter, 1.5 µm length, 90% purity) and thicker MWCNTs (in-house) synthesized in our laboratory using catalytic chemical vapour deposition (c-CVD). In-house CNTs had diameter ranging between 60-70 nm and length up to 300 µm. Since classical Ullmann reaction was found as suffering from poor yields, we have investigated the effect of various solvents (toluene, acetonitrile, dimethyl sulfoxide and N,N-dimethylformamide) on the coupling of substrates. Owing to the fact that the aryl halides show the reactivity order of I>Br>Cl>F, we have also investigated the effect of iodine presence on CNT surface on reaction yield. In this case, in first step we have used iodine monochloride instead of iodine trichloride. Finally, we have used the optimized reaction conditions with p-bromophenol and 1,2,4-trihydroxybenzene for the control of CNT dispersion.Keywords: carbon nanotubes, coupling reaction, functionalization, Ullmann reaction
Procedia PDF Downloads 161498 Photocatalytic Degradation of Lead from Aqueous Solution Using TiO2 as Adsorbent
Authors: Navven Desai, Veena Soraganvi
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Heavy metals such as lead, cadmium and mercury do not have biological significance hence they are known to be extremely toxic heavy metals. Water contains various heavy metals like Cadmium (Cd), Chromium (Cr), Copper (Cu), Nickel (Ni), Arsenic (As), Lead (Pb), and Zinc (Zn) etc., when it gets polluted with industrial waste water. These heavy metals cause various health effects even at low concentration when consumed by humans. Most of the heavy metals are poisonous to living organisms. Heavy metals are non-degradable and are preserved in the environment through bioaccumulation. Therefore removal of heavy metals from water is necessary. In recent years, a great deal of attentions has been focused on to the application of nanosized metal oxides to treat heavy metals, especially titanium oxides, ferric oxides, manganese oxides, aluminium oxides and magnesium oxides as adsorbent and photocatalyst. TiO2 based photocatalysts have attracted continuously increasing attention because of the excellent properties such as high light -conversion efficiency, chemical stability, nontoxic nature, low cost. The catalyst displays high photocatalytic activity because of its large surface area. In this study, the photocatalytic degradation of Lead (Pb) from aqueous solution was investigated in natural sunlight by using TiO2 as Nanomaterial. This study was performed at laboratory scale. All the experiments were carried out in the batch process. The concentration of lead was constant (25mg/lit) in the experiment and effect of titanium dioxide dose and pH were varied to study the removal efficiency of the lead by adsorption. Further study was performed on the dependence of photocatalytic reaction on the reaction temperature. The aqueous solution was prepared by Lead metal powder. TiO2 photo catalyst nanopowder used was Sisco-74629 grade. The heavy metal is analyzed with VARIAN AA 240 atomic adsorption spectrophotometer. The study shows, with increasing TiO2 dose and pH the lead removal increases. According to study, it can be concluded that the utilization of titanium dioxide accounted for higher efficiency in the removal of lead from aqueous solution.Keywords: adsorption, heavy metals, nanomaterial, photocatalysis
Procedia PDF Downloads 293497 Photo-Fenton Degradation of Organic Compounds by Iron(II)-Embedded Composites
Authors: Marius Sebastian Secula, Andreea Vajda, Benoit Cagnon, Ioan Mamaliga
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One of the most important classes of pollutants is represented by dyes. The synthetic character and complex molecular structure make them more stable and difficult to be biodegraded in water. The treatment of wastewaters containing dyes in order to separate/degrade dyes is of major importance. Various techniques have been employed to remove and/or degrade dyes in water. Advanced oxidation processes (AOPs) are known as among the most efficient ones towards dye degradation. The aim of this work is to investigate the efficiency of a cheap Iron-impregnated activated carbon Fenton-like catalyst in order to degrade organic compounds in aqueous solutions. In the presented study an anionic dye, Indigo Carmine, is considered as a model pollutant. Various AOPs are evaluated for the degradation of Indigo Carmine to establish the effect of the prepared catalyst. It was found that the Iron(II)-embedded activated carbon composite enhances significantly the degradation process of Indigo Carmine. Using the wet impregnation procedure, 5 g of L27 AC material were contacted with Fe(II) solutions of FeSO4 precursor at a theoretical iron content in the resulted composite of 1 %. The L27 AC was impregnated for 3h at 45°C, then filtered, washed several times with water and ethanol and dried at 55 °C for 24 h. Thermogravimetric analysis, Fourier transform infrared, X-ray diffraction, and transmission electron microscopy were employed to investigate the structural, textural, and micromorphology of the catalyst. Total iron content in the obtained composites and iron leakage were determined by spectrophotometric method using phenantroline. Photo-catalytic tests were performed using an UV - Consulting Peschl Laboratory Reactor System. UV light irradiation tests were carried out to determine the performance of the prepared Iron-impregnated composite towards the degradation of Indigo Carmine in aqueous solution using different conditions (17 W UV lamps, with and without in-situ generation of O3; different concentrations of H2O2, different initial concentrations of Indigo Carmine, different values of pH, different doses of NH4-OH enhancer). The photocatalytic tests were performed after the adsorption equilibrium has been established. The obtained results emphasize an enhancement of Indigo Carmine degradation in case of the heterogeneous photo-Fenton process conducted with an O3 generating UV lamp in the presence of hydrogen peroxide. The investigated process obeys the pseudo-first order kinetics. The photo-Fenton degradation of IC was tested at different values of initial concentration. The obtained results emphasize an enhancement of Indigo Carmine degradation in case of the heterogeneous photo-Fenton process conducted with an O3 generating UV lamp in the presence of hydrogen peroxide. Acknowledgments: This work was supported by a grant of the Romanian National Authority for Scientific Research and Innovation, CNCS - UEFISCDI, project number PN-II-RU-TE-2014-4-0405.Keywords: photodegradation, heterogeneous Fenton, anionic dye, carbonaceous composite, screening factorial design
Procedia PDF Downloads 251496 The Potential of Fly Ash Wastes to Improve Nutrient Levels in Agricultural Soils: A Material Flow Analysis Case Study from Riau District, Indonesia
Authors: Hasan Basri Jumin
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Fly ash sewage of pulp and paper industries when processed with suitable process and true management may possibly be used fertilizer agriculture purposes. The objective of works is to evaluate re-cycling possibility of fly ash waste to be applied as a fertilizer for agriculture use. Fly ash sewage was applied to maize with 28 g/plant could be increased significantly the average of dry weigh from dry weigh of seed increase from 6.7 g/plant into 10.3 g/plant, and net assimilation rates could be increased from 14.5 mg.m-2.day-1 into 35.4 mg.m-2 day-1. Therefore, production per hectare was reached 3.2 ton/ha. The chemical analyses of fly ash waste indicated that, there are no exceed threshold content of dangerous metals and biology effects. Mercury, arsenic, cadmium, chromium, cobalt, lead, and molybdenum contents as heavy metal are lower than the threshold of human healthy tolerance. Therefore, it has no syndrome effect to human health. This experiment indicated that fly ash sewage in lower doses until 28 g/plant could be applied as substitution fertilizer for agriculture use and it could be eliminate the environment pollution.Keywords: fly-ash, fertilizer, maize, sludge-sewage pollutant, waste
Procedia PDF Downloads 577495 Mesoporous RGO@(Co,Mn)3O4 Nanocomposite Prepared by Microwave Method and Its Electrochemical Performance
Authors: Charmaine Lamiel, Van Hoa Nguyen, Jae-Jin Shim
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Supercapacitors are energy storage devices capable of storing more energy than conventional capacitors and have higher power density than batteries. The advantages of this method include the non-use of reducing agents and acidic medium, and no further use of a post-heat treatment unlike the conventional processes, in which calcination is generally employed after obtaining the initial product. Furthermore, it also offers a shorter reaction time at low temperatures and low power requirements, which allows low fabrication and energy cost. In this study, microwave irradiation was used for the facile and rapid synthesis of mesoporous RGO@(Co,Mn)3O4 nanosheets as an electrode material. The as-prepared electrode exhibited a high capacitance of 953 F•g^−1 at 1 A•g^−1 in a 6 M KOH electrolyte solution. Moreover, the electrode exhibited a high energy density of 76.2 Wh•kg^−1 at a power density of 720 W•kg^−1, and a high power density of 7200 W•kg^−1 at an energy density of 38 Wh•kg^−1. The successful methodology was considered to be efficient and cost-effective, thereby providing an active electrode material with very promising electrochemical performance.Keywords: cobalt-manganese oxide, electrochemical, graphene, microwave synthesis, supercapacitor
Procedia PDF Downloads 202494 Effect of Different Factors on Temperature Profile and Performance of an Air Bubbling Fluidized Bed Gasifier for Rice Husk Gasification
Authors: Dharminder Singh, Sanjeev Yadav, Pravakar Mohanty
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In this work, study of temperature profile in a pilot scale air bubbling fluidized bed (ABFB) gasifier for rice husk gasification was carried out. Effects of different factors such as multiple cyclones, gas cooling system, ventilate gas pipe length, and catalyst on temperature profile was examined. ABFB gasifier used in this study had two sections, one is bed section and the other is freeboard section. River sand was used as bed material with air as gasification agent, and conventional charcoal as start-up heating medium in this gasifier. Temperature of different point in both sections of ABFB gasifier was recorded at different ER value and ER value was changed by changing the feed rate of biomass (rice husk) and by keeping the air flow rate constant for long durational of gasifier operation. ABFB with double cyclone with gas coolant system and with short length ventilate gas pipe was found out to be optimal gasifier design to give temperature profile required for high gasification performance in long duration operation. This optimal design was tested with different ER values and it was found that ER of 0.33 was most favourable for long duration operation (8 hr continuous operation), giving highest carbon conversion efficiency. At optimal ER of 0.33, bed temperature was found to be stable at 700 °C, above bed temperature was found to be at 628.63 °C, bottom of freeboard temperature was found to be at 600 °C, top of freeboard temperature was found to be at 517.5 °C, gas temperature was found to be at 195 °C, and flame temperature was found to be 676 °C. Temperature at all the points showed fluctuations of 10 – 20 °C. Effect of catalyst i.e. dolomite (20% with sand bed) was also examined on temperature profile, and it was found that at optimal ER of 0.33, the bed temperature got increased to 795 °C, above bed temperature got decreased to 523 °C, bottom of freeboard temperature got decreased to 548 °C, top of freeboard got decreased to 475 °C, gas temperature got decreased to 220 °C, and flame temperature got increased to 703 °C. Increase in bed temperature leads to higher flame temperature due to presence of more hydrocarbons generated from more tar cracking at higher temperature. It was also found that the use of dolomite with sand bed eliminated the agglomeration in the reactor at such high bed temperature (795 °C).Keywords: air bubbling fluidized bed gasifier, bed temperature, charcoal heating, dolomite, flame temperature, rice husk
Procedia PDF Downloads 273493 Microwave Sintering and Its Application on Cemented Carbides
Authors: Rumman M. D. Raihanuzzaman, Lee Chang Chuan, Zonghan Xie, Reza Ghomashchi
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Cemented carbides, owing to their excellent mechanical properties, have been of immense interest in the field of hard materials for the past few decades. A number of processing techniques have been developed to obtain high quality carbide tools, with a wide range of grain size depending on the application and requirements. Microwave sintering is one of the heating processes, which has been used on a wide range of materials including ceramics. The complete understanding of microwave sintering and its contribution towards control of grain growth and on deformation of the resulting carbide materials needs further studies and attention. In addition, the effect of binder materials and their behaviour as a function of microwave sintering is another area that requires clear understanding. This review aims to focus on microwave sintering, providing information of how the process works and what type of materials it is best suited for. In addition, a closer look at some microwave sintered Tungsten Carbide-Cobalt samples will be taken and discussed, addressing some of the key issues and challenges faced in the research.Keywords: cemented carbides, consolidation, microwave sintering, mechanical properties
Procedia PDF Downloads 590492 Heterogeneous Catalytic Ozonation of Diethyl Phthalate
Authors: Chedly Tizaoui, Hussain Mohammed, Lobna Mansouri, Nidal Hilal, Latifa Bousselmi
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The degradation of diethyl phthalate (DEP) was studied using heterogeneous catalytic ozonation. Activated carbon was used as a catalyst. The degradation of DEP with ozone alone was slow while catalytic ozonation increased degradation rates. Second-order reaction kinetics was used to describe the experimental data, and the corresponding rate constant values were 1.19 and 3.94 M-1.s-1 for ozone and ozone/activated carbon respectively.Keywords: ozone, heterogeneous catalytic ozonation, diethyl phthalate, endocrine disrupting chemicals
Procedia PDF Downloads 340491 Optimization of Batch to Up-Scaling of Soy-Based Prepolymer Polyurethane
Authors: Flora Elvistia Firdaus
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The chemical structure of soybean oils have to be chemically modified through its tryglyceride to attain resemblance properties with petrochemicals. Sulfur acid catalyst in peracetic acid co-reagent has good performance on modified soybean oil strucutures through its unsaturated fatty acid moiety to the desired hydroxyl functional groups. A series of screening reactions have indicated that the ratio of acetic/peroxide acid 1:7.25 (mol/mol) with temperature of 600°C for soy-epoxide synthesis are prevailed for up-scaling of bodied soybean into 10 and 20 folds from initials. A two-step process was conducted for the preparation of soy-polyol in designated temperatures.Keywords: soybean, polyol, up-scaling, polyurethane
Procedia PDF Downloads 350490 Catalytic Cracking of Butene to Propylene over Modified HZSM-5 Zeolites
Authors: Jianwen Li, Hongfang Ma, Haitao Zhang, Qiwen Sun, Weiyong Ying
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Catalytic cracking of butene to propylene was carried out in a continuous-flow fixed-bed reactor over HZSM-5 catalysts modified by nickel and phosphorus. The structure and acidity of catalysts were measured by N2 adsorption, NH3-TPD and XPS. The results revealed that surface area and strong acid sites both decreased with increasing phosphorus loadings. The increment of phosphorus loadings reduced the butene conversion but enhanced the propylene selectivity and catalyst stability.Keywords: butene, catalytic cracking, HZSM-5, modification
Procedia PDF Downloads 382489 High Electrochemical Performance of Electrode Material Based On Mesoporous RGO@(Co,Mn)3O4 Nanocomposites
Authors: Charmaine Lamiel, Van Hoa Nguyen, Deivasigamani Ranjith Kumar, Jae-Jin Shim
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The quest for alternative sources of energy storage had led to the exploration on supercapacitors. Hybrid supercapacitors, a combination of carbon-based material and transition metals, had yielded long and improved cycle life as well as high energy and power densities. In this study, microwave irradiation was used for the facile and rapid synthesis of mesoporous RGO@(Co,Mn)3O4 nanosheets as an active electrode material. The advantages of this method include the non-use of reducing agents and acidic medium, and no further post-heat treatment. Additionally, it offers shorter reaction time at low temperature and low power requirement, which allows low fabrication and energy cost. The as-prepared electrode material demonstrated a high capacitance of 953 F•g−1 at 1 A•g−1 in a 6 M KOH electrolyte. Furthermore, the electrode exhibited a high energy density of 76.2 Wh•kg−1 (power density of 720 W•kg−1) and a high power density of 7200 W•kg−1 (energy density of 38 Wh•kg−1). The successful synthesis was considered to be efficient and cost-effective, with very promising electrochemical performance that can be used as an active material in supercapacitors.Keywords: cobalt manganese oxide, electrochemical, graphene, microwave synthesis, supercapacitor
Procedia PDF Downloads 348488 Cytotoxic Effects of Engineered Nanoparticles in Human Mesenchymal Stem Cells
Authors: Ali A. Alshatwi, Vaiyapuri S. Periasamy, Jegan Athinarayanan
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Engineered nanoparticles’ usage rapidly increased in various applications in the last decade due to their unusual properties. However, there is an ever increasing concern to understand their toxicological effect in human health. Particularly, metal and metal oxide nanoparticles have been used in various sectors including biomedical, food and agriculture. But their impact on human health is yet to be fully understood. In this present investigation, we assessed the toxic effect of engineered nanoparticles (ENPs) including Ag, MgO and Co3O4 nanoparticles (NPs) on human mesenchymal stem cells (hMSC) adopting cell viability and cellular morphological changes as tools The results suggested that silver NPs are more toxic than MgO and Co3O4NPs. The ENPs induced cytotoxicity and nuclear morphological changes in hMSC depending on dose. The cell viability decreases with increase in concentration of ENPs. The cellular morphology studies revealed that ENPs damaged the cells. These preliminary findings have implications for the use of these nanoparticles in food industry with systematic regulations.Keywords: cobalt oxide, human mesenchymal stem cells, MgO, silver
Procedia PDF Downloads 380487 Wear Performance of Stellite 21 Cladded Overlay on Aisi 304L
Authors: Sandeep Singh Sandhua, Karanvir Singh Ghuman, Arun Kumar
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Stellite 21 is cobalt based super alloy used in improving the wear performance of stainless steel engineering components subjected to harsh environmental conditions. This piece of research focuses on the wear analysis of satellite 21 cladded on AISI 304 L substrate using SMAW process. Bead on plate experiments were carried out by varying current and electrode manipulation techniques to optimize the dilution and microhardness. 80 Amp current and weaving technique was found to be optimum set of parameters for overlaying which were further used for multipass multilayer cladding of AISI 304 L substrate. The wear performance was examined on pin on dics wear testing machine under room temperature conditions. The results from this study show that Stellite 21 overlays show a significant improvement in the frictional wear resistance after TIG remelting. It is also established that low dilution procedures are important in controlling the metallurgical composition of these overlays which has a consequent effect in enhancing hardness and wear resistance of these overlays.Keywords: surfacing, stellite 21, dilution, SMAW, frictional wear, micro-hardness
Procedia PDF Downloads 243486 Study of Individual Parameters on the Enzymatic Glycosidation of Betulinic Acid by Novozyme-435
Authors: A. U. Adamu, Hamisu Abdu, A. A. Saidu
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The enzymatic synthesis of 3-O-β-D-glucopyranoside-betulinic acid using Novozyme-435 as a catalyst was studied. The effect of various parameters such as substrate molar ratio, reaction temperature, reaction time, re-used enzymes and amount of enzymes were investigated. The optimum rection conditions for the enzymatic glycosidation of betulinic acid in an organic solvent using Novozym-435 was found to be at 1:1.2 substrate molar ratio, 55oC, 24 h and 180 mg of enzymes with percentage conversion of 88.69 %.Keywords: betulinic acid, glycosidation, novozyme-435, optimization
Procedia PDF Downloads 420485 The Nexus between Social Entrepreneurship and Youth Empowerment
Authors: Aaron G. Laylo
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This paper mainly assumes that social entrepreneurship contributes significantly to youth empowerment i.e., work and community engagement. Two questions are thus raised in order to establish this hypothesis: 1) First, how does social entrepreneurship contribute to youth empowerment?; and 2) secondly, why is social entrpreneurship significantly incremental to youth empowerment? This research aims a) to investigate on the social aspect of entrepreneurship; b) to explore challenges in youth empowerment particularly in respect to work and community engagement; and c) to inquire into whether social enterprises have truly served as a catalyst for, thus an effective response to, youth empowerment. It must be emphasized that young people, which comprise 1.8 billion in a world of seven billion are an asset; Apparently, how to maximize that potential is crucial. By utilizing exploratory research design, the paper endeavors to generate new ideas in regards to both components, develop tentative theories on social entrepreneurship, and refine certain issues that are under observation and seek scholarly attention— a rather emerging phenomenon vis a vis the challenge to empower a significant cluster of the society. Case studies will be utilized as an approach in order to comparatively analyze youth-driven social enterprises in the Philippines that have been widely recognized as successful insofar as social impact is concerned. As most scholars attested, social entrepreneurship is still at its infancy stage. Youth empowerment, meanwhile, is yet a vast area to explore insofar as academic research is concerned. Programs and projects that advocate the pursuit of these components abound. However, academic research is yet to be undertaken to see and understand their social and economic relevance. This research is also an opportunity for scholars to explore, understand, and make sense of the promise that lies in social entrepreneurship research and how it can serve as a catalyst for youth empowerment. Youth-driven social enterprises can be an influential tool in sustaining development across the globe as they intend to provide opportunities for optimal economic productivity that recognizes social inclusion. Ultimately, this study should be able to contribute to both research and development-in-practice communities for the greater good of the society. By establishing the nexus between these two components, the research may contribute to fostering greater exploration of the benefits that both may yield to human progress as well as the gaps that have to be filled in by various policy stakeholders relevant to these units.Keywords: social entpreneurship, youth, empowerment, social inclusion
Procedia PDF Downloads 295484 Volatile Organic Compounds (VOCS) Destruction by Catalytic Oxidation for Environmental Applications
Authors: Mohammed Nasir Kajama, Ngozi Claribelle Nwogu, Edward Gobina
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Pt/γ-Al2O3 membrane catalysts were prepared via an evaporative-crystallization deposition method. The obtained Pt/γ-Al2O3 catalyst activity was tested after characterization (SEM-EDAX observation, BET measurement, permeability assessment) in the catalytic oxidation of selected volatile organic compound (VOC) i.e. propane, fed in mixture of oxygen. The VOC conversion (nearly 90%) obtained by varying the operating temperature showed that flow-through membrane reactor might do better in the abatement of VOCs.Keywords: VOC combustion, flow-through membrane reactor, platinum supported alumina catalysts
Procedia PDF Downloads 533