Search results for: TiO2
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 86

Search results for: TiO2

26 Aqueous Ranitidine Elimination in Photolytic Processes

Authors: Javier Rivas, Olga Gimeno, Maria Carbajo, Teresa Borralho

Abstract:

The elimination of ranitidine (a pharmaceutical compound) has been carried out in the presence of UV-C radiation. After some preliminary experiments, it has been experienced the no influence of the gas nature (air or oxygen) bubbled in photolytic experiments. From simple photolysis experiments the quantum yield of this compound has been determined. Two photolytic approximation has been used, the linear source emission in parallel planes and the point source emission in spherical planes. The quantum yield obtained was in the proximity of 0.05 mol Einstein-1 regardless of the method used. Addition of free radical promoters (hydrogen peroxide) increases the ranitidine removal rate while the use of photocatalysts (TiO2) negatively affects the process.

Keywords: Quantum yield, photolysis, ranitidine, watertreatment.

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25 Investigation of Enhancement of Heat Transfer in Natural Convection Utilizing of Nanofluids

Authors: S. Etaig, R. Hasan, N. Perera

Abstract:

This paper analyses the heat transfer performance and fluid flow using different nanofluids in a square enclosure. The energy equation and Navier-Stokes equation are solved numerically using finite volume scheme. The effect of volume fraction concentration on the enhancement of heat transfer has been studied icorporating the Brownian motion; the influence of effective thermal conductivity on the enhancement was also investigated for a range of volume fraction concentration. The velocity profile for different Rayleigh number. Water-Cu, water AL2O3 and water-TiO2 were tested.

Keywords: Computational fluid Dynamics, Natural convection, Nanofluid and Thermal conductivity.

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24 Production of Spherical Ag/ZnO Nanocomposite Particles for Photocatalytic Applications

Authors: K. B. Dermenci, B. Ebin, S.Gürmen

Abstract:

Noble metal participation in nanostructured semiconductor catalysts has drawn much interest because of their improved properties. Recently, it has been discussed by many researchers that Ag participation in TiO2, CuO, ZnO semiconductors showed improved photocatalytic and optical properties. In this research, Ag/ZnO nanocomposite particles were prepared by Ultrasonic Spray Pyrolysis(USP) Method. 0.1M silver and zinc nitrate aqueous solutions were used as precursor solutions. The Ag:Zn atomic ratio of the solution was selected 1:1. Experiments were taken place under constant air flow of 400 mL/min at 800°C furnace temperature. Particles were characterized by X-Ray Diffraction (XRD), Scanning Electron Microscope (SEM) and Energy Dispersive Spectroscopy (EDS). The crystallite sizes of Ag and ZnO in composite particles are 24.6 nm, 19.7 nm respectively. Although, spherical nanocomposite particles are in a range of 300- 800 nm, these particles are formed by the aggregation of primary particles which are in a range of 20-60 nm.

Keywords: Ag/ZnO nanocatalysts, Nanotechnology, USP

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23 An Improved Model for Prediction of the Effective Thermal Conductivity of Nanofluids

Authors: K. Abbaspoursani, M. Allahyari, M. Rahmani

Abstract:

Thermal conductivity is an important characteristic of a nanofluid in laminar flow heat transfer. This paper presents an improved model for the prediction of the effective thermal conductivity of nanofluids based on dimensionless groups. The model expresses the thermal conductivity of a nanofluid as a function of the thermal conductivity of the solid and liquid, their volume fractions and particle size. The proposed model includes a parameter which accounts for the interfacial shell, brownian motion, and aggregation of particle. The validation of the model is verified by applying the results obtained by the experiments of Tio2-water and Al2o3-water nanofluids.

Keywords: Critical particle size, nanofluid, model, and thermal conductivity.

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22 Preparation of Fe, Cr Codoped TiO2 Nanostructure for Phenol Removal from Wastewaters

Authors: N. Nowzari-Dalini, S. Sabbaghi

Abstract:

Phenol is a hazardous material found in many industrial wastewaters. Photocatalytic degradation and furthermore catalyst doping are promising techniques in purpose of effective phenol removal, which have been studied comprehensively in this decade. In this study, Fe, Cr codoped TiO2 were prepared by sol-gel method, and its photocatalytic activity was investigated through degradation of phenol under visible light. The catalyst was characterized by XRD, SEM, FT-IR, BET, and EDX. The results showed that nanoparticles possess anatase phase, and the average size of nanoparticles was about 21 nm. Also, photocatalyst has significant surface area. Effect of experimental parameters such as pH, irradiation time, pollutant concentration, and catalyst concentration were investigated by using Design-Expert® software. 98% of phenol degradation was achieved after 6h of irradiation.

Keywords: Wastewater, doping, metals, sol-gel, titanium dioxide.

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21 Study on Hydrophilicity of Anodic Aluminum Oxide Templates with TiO2-NTs

Authors: Yu-Wei Chang, Hsuan-Yu Ku, Jo-Shan Chiu, Shao-Fu Chang, Chien-Chon Chen

Abstract:

This paper aims to discuss the hydrophilicity about the anodic aluminum oxide (AAO) template with titania nanotubes (NTs). The AAO templates with pore size diameters of 20-250 nm were generated by anodizing 6061 aluminum alloy substrates in acid solution of sulfuric acid (H2SO4), oxalic acid (COOH)2, and phosphoric acid (H3PO4), respectively. TiO2-NTs were grown on AAO templates by the sol-gel deposition process successfully. The water contact angle on AAO/TiO2-NTs surface was lower compared to the water contact angle on AAO surface. So, the characteristic of hydrophilicity was significantly associated with the AAO pore size and what kinds of materials were immersed variables.

Keywords: Anodic aluminum oxide, nanotube, anodization, Sol-Gel, hydrophilicity.

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20 Environmental Analysis of the Zinc Oxide Nanophotocatalyst Synthesis

Authors: Natália B. Pompermayer, Mariana B. Porto, Elizabeth F. Souza

Abstract:

Nanophotocatalysts such as titanium (TiO2), zinc (ZnO), and iron (Fe2O3) oxides can be used in organic pollutants oxidation, and in many other applications. But among the challenges for technological application (scale-up) of the nanotechnology scientific developments two aspects are still little explored: research on environmental risk of the nanomaterials preparation methods, and the study of nanomaterials properties and/or performance variability. The environmental analysis was performed for six different methods of ZnO nanoparticles synthesis, and showed that it is possible to identify the more environmentally compatible process even at laboratory scale research. The obtained ZnO nanoparticles were tested as photocatalysts, and increased the degradation rate of the Rhodamine B dye up to 30 times.

Keywords: Environmental impact analysis, inorganic nanoparticles, photocatalysts.

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19 Numerical Simulation of the Effects of Nanofluid on a Heat Pipe Thermal Performance

Authors: Barzin Gavtash, Khalid Hussain, Mohammad Layeghi, Saeed Sadeghi Lafmejani

Abstract:

This research aims at modeling and simulating the effects of nanofluids on cylindrical heat pipes thermal performance using the ANSYS-FLUENT CFD commercial software. The heat pipe outer wall temperature distribution, thermal resistance, liquid pressure and axial velocity in presence of suspended nano-scaled solid particle (i.e. Cu, Al2O3 and TiO2) within the fluid (water) were investigated. The effect of particle concentration and size were explored and it is concluded that the thermal performance of the heat pipe is improved when using nanofluid as the system working fluid. Additionally, it was observed that the thermal resistance of the heat pipe drops as the particle concentration level increases and particle radius decreases.

Keywords: CFD, Heat Pipe, Nanofluid, Thermal resistance

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18 Mixed Convection Boundary Layer Flow from a Vertical Cone in a Porous Medium Filled with a Nanofluid

Authors: Ezzah Liana Ahmad Fauzi, Syakila Ahmad, Ioan Pop

Abstract:

The steady mixed convection boundary layer flow from a vertical cone in a porous medium filled with a nanofluid is numerically investigated using different types of nanoparticles as Cu (copper), Al2O3 (alumina) and TiO2 (titania). The boundary value problem is solved by using the shooting technique by reducing it into an ordinary differential equation. Results of interest for the local Nusselt number with various values of the constant mixed convection parameter and nanoparticle volume fraction parameter are evaluated. It is found that dual solutions exist for a certain range of mixed convection parameter.

Keywords: boundary layer, mixed convection, nanofluid, porous medium, vertical cone.

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17 Effect of Impurities in the Chlorination Process of TiO2

Authors: Seok Hong Min, Tae Kwon Ha

Abstract:

With the increasing interest on Ti alloys, the extraction process of Ti from its typical ore, TiO2, has long been and will be important issue. As an intermediate product for the production of pigment or titanium metal sponge, tetrachloride (TiCl4) is produced by fluidized bed using high TiO2 feedstock. The purity of TiCl4 after chlorination is subjected to the quality of the titanium feedstock. Since the impurities in the TiCl4 product are reported to final products, the purification process of the crude TiCl4 is required. The purification process includes fractional distillation and chemical treatment, which depends on the nature of the impurities present and the required quality of the final product. In this study, thermodynamic analysis on the impurity effect in the chlorination process, which is the first step of extraction of Ti from TiO2, has been conducted. All thermodynamic calculations were performed using the FactSage thermodynamical software.

Keywords: Rutile, titanium, chlorination process, impurities, thermodynamic calculation, FactSage.

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16 Effect of Nanofluids on the Saturated Pool Film Boiling

Authors: Dogan Ciloglu, Abdurrahim Bolukbasi, Kemal Comakli

Abstract:

In this study, the effect of nanofluids on the pool film boiling was experimentally investigated at saturated condition under atmospheric pressure. For this purpose, four different water-based nanofluids (Al2O3, SiO2, TiO2 and CuO) with 0.1% particle volume fraction were prepared. To investigate the boiling heat transfer, a cylindrical rod with high temperature was used. The rod heated up to high temperatures was immersed into nanofluids. The center temperature of rod during the cooling process was recorded by using a K-type thermocouple. The quenching curves showed that the pool boiling heat transfer was strongly dependent on the nanoparticle materials. During the repetitive quenching tests, the cooling time decreased and thus, the film boiling vanished. Consequently, the primary reason of this was the change of the surface characteristics due to the nanoparticles deposition on the rod-s surface.

Keywords: Heat transfer, nanofluid, nanoparticles, pool film boiling

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15 Enhanced Photocatalytic Hydrogen Production on TiO2 by Using Carbon Materials

Authors: Bashir Ahmmad, Kensaku Kanomata, Fumihiko Hirose

Abstract:

The effect of carbon materials on TiO2 for the photocatalytic hydrogen gas production from water / alcohol mixtures was investigated. Single walled carbon nanotubes (SWNTs), multi walled carbon nanotubes (MWNTs), carbon nanofiber (CNF), fullerene (FLN), graphite (GP), and graphite silica (GS) were used as co-catalysts by directly mixing with TiO2. Drastic synergy effects were found with increase in the amount of hydrogen gas by a factor of ca. 150 and 100 for SWNTs and GS with TiO2, respectively. Moreover, the increment factor of hydrogen production reached to 180, when the mixture of SWNTs and TiO2 were smashed in an agate mortar before photocatalytic reactions. The order of H2 gas production for these carbon materials was SWNTs > GS >> MWNTs > FLN > CNF > GP. To maximize the hydrogen production from SWNTs/TiO2, various parameters of experimental condition were changed. Also, a comparison between Pt/TiO2, SWNTs/TiO2 and GS/TiO2 was made for the amount of H2 gas production. Finally, the recyclability of SWNTs/TiO2or GS/TiO2 was tested.

Keywords: Photocatalysis, carbon materials, alcohol reforming, hydrogen production, titanium oxide.

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14 Dielectric and Impedance Spectroscopy of Samarium and Lanthanum Doped Barium Titanate at Room Temperature

Authors: Sukhleen Bindra Narang, Dalveer Kaur, Kunal Pubby

Abstract:

Dielectric ceramic samples in the BaO-Re2O3-TiO2 ternary system were synthesized with structural formula Ba2- xRe4+2x/3Ti8O24 where Re= rare earth metal and Re= Sm and La where x varies from 0.0 to 0.6 with step size 0.1. Polycrystalline samples were prepared by the conventional solid state reaction technique. The dielectric, electrical and impedance analysis of all the samples in the frequency range 1KHz- 1MHz at room temperature (25°C) have been done to get the understanding of electrical conduction and dielectric relaxation and their correlation. Dielectric response of the samples at lower frequencies shows dielectric dispersion while at higher frequencies it shows dielectric relaxation. The ac conductivity is well fitted by the Jonscher law. The spectroscopic data in the impedance plane confirms the existence of grain contribution to the relaxation. All the properties are found out to be function of frequency as well as the amount of substitution.

Keywords: Dielectric ceramics, Dielectric constant, Loss tangent, AC conductivity, Impedance spectroscopy.

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13 Study on Leakage Current Waveforms of Porcelain Insulator due to Various Artificial Pollutants

Authors: Waluyo, Parouli M. Pakpahan, Suwarno, Maman A. Djauhari

Abstract:

This paper presents the experimental results of leakage current waveforms which appears on porcelain insulator surface due to existence of artificial pollutants. The tests have been done using the chemical compounds of NaCl, Na2SiO3, H2SO4, CaO, Na2SO4, KCl, Al2SO4, MgSO4, FeCl3, and TiO2. The insulator surface was coated with those compounds and dried. Then, it was tested in the chamber where the high voltage was applied. Using correspondence analysis, the result indicated that the fundamental harmonic of leakage current was very close to the applied voltage and third harmonic leakage current was close to the yielded leakage current amplitude. The first harmonic power was correlated to first harmonic amplitude of leakage current, and third harmonic power was close to third harmonic one. The chemical compounds of H2SO4 and Na2SiO3 affected to the power factor of around 70%. Both are the most conductive, due to the power factor drastically increase among the chemical compounds.

Keywords: Chemical compound, harmonic, porcelain insulator, leakage current.

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12 Comparison of Transparent Nickel Doped Cobalt Sulfide and Platinum Counter Electrodes Used in Quasi-Solid State Dye Sensitized Solar Cells

Authors: Dimitra Sygkridou, Dimitrios Karageorgopoulos, Elias Stathatos, Evangelos Vitoratos

Abstract:

Transparent nickel doped cobalt sulfide was fabricated on a SnO2:F electrode and tested as an efficient electrocatalyst and as an alternative to the expensive platinum counter electrode. In order to investigate how this electrode could affect the electrical characteristics of a dye-sensitized solar cell, we manufactured cells with the same TiO2 photoanode sensitized with dye (N719) and employing the same quasi-solid electrolyte, altering only the counter electrode used. The cells were electrically and electrochemically characterized and it was observed that the ones with the Ni doped CoS2 outperformed the efficiency of the cells with the Pt counter electrode (3.76% and 3.44% respectively). Particularly, the higher efficiency of the cells with the Ni doped CoS2 counter electrode (CE) is mainly because of the enhanced photocurrent density which is attributed to the enhanced electrocatalytic ability of the CE and the low charge transfer resistance at the CE/electrolyte interface.

Keywords: Counter electrodes, dye-sensitized solar cells, quasisolid state electrolyte, transparency.

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11 Biosynthesis of Titanium Dioxide Nanoparticles and Their Antibacterial Property

Authors: Prachi Singh

Abstract:

This paper presents a low-cost, eco-friendly and reproducible microbe mediated biosynthesis of TiO2 nanoparticles. TiO2 nanoparticles synthesized using the bacterium, Bacillus subtilis, from titanium as a precursor, were confirmed by TEM analysis. The morphological characteristics state spherical shape, with the size of individual or aggregate nanoparticles, around 30-40 nm. Microbial resistance represents a challenge for the scientific community to develop new bioactive compounds. Here, the antibacterial effect of TiO2 nanoparticles on Escherichia coli was investigated, which was confirmed by CFU (Colony-forming unit). Further, growth curve study of E. coli Hb101 in the presence and absence of TiO2 nanoparticles was done. Optical density decrease was observed with the increase in the concentration of TiO2. It could be attributed to the inactivation of cellular enzymes and DNA by binding to electron-donating groups such as carboxylates, amides, indoles, hydroxyls, thiols, etc. which cause little pores in bacterial cell walls, leading to increased permeability and cell death. This justifies that TiO2 nanoparticles have efficient antibacterial effect and have potential to be used as an antibacterial agent for different purposes.

Keywords: Antibacterial effect, CFU, Escherichia coli Hb101, growth curve, TEM, TiO2 nanoparticle, toxicity, UV-Vis.

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10 GGE-Biplot Analysis of Nano-Titanium Dioxide and Nano-Silica Effects on Sunflower

Authors: Naser Sabaghnia, Mohsen Janmohammadi, Mehdi Mohebodini

Abstract:

Present investigation is performed to evaluate the effects of foliar application of salicylic acid, glycine betaine, ascorbic acid, nano-silica, and nano-titanium dioxide on sunflower. Results showed that the first two principal components were sufficient to create a two-dimensional treatment by trait biplot, and such biplot accounted percentages of 49% and 19%, respectively of the interaction between traits and treatments. The vertex treatments of polygon were ascorbic acid, glycine betaine, nano-TiO2, and control indicated that high performance in some important traits consists of number of days to seed maturity, number of seeds per head, number heads per single plant, hundred seed weight, seed length, seed yield performance, and oil content. Treatments suitable for obtaining the high seed yield were identified in the vector-view function of biplot and displayed nano-silica and nano titanium dioxide as the best treatments suitable for obtaining of high seed yield.

Keywords: Drought stress, nano-silicon dioxide, oil content, TiO2 nanoparticles.

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9 Statistical Analysis and Predictive Learning of Mechanical Parameters for TiO2 Filled GFRP Composite

Authors: S. Srinivasa Moorthy, K. Manonmani

Abstract:

The new, polymer composites consisting of e-glass fiber reinforcement with titanium oxide filler in the double bonded unsaturated polyester resin matrix were made. The glass fiber and titanium oxide reinforcement composites were made in three different fiber lengths (3cm, 5cm, and 7cm), filler content (2 wt%, 4 wt%, and 6 wt%) and fiber content (20 wt%, 40 wt%, and 60 wt%). 27 different compositions were fabricated and a sequence of experiments were carried out to determine tensile strength and impact strength. The vital influencing factors fiber length, fiber content and filler content were chosen as 3 factors in 3 levels of Taguchi’s L9 orthogonal array. The influences of parameters were determined for tensile strength and impact strength by Analysis of variance (ANOVA) and S/N ratio. Using Artificial Neural Network (ANN) an expert system was devised to predict the properties of hybrid reinforcement GFRP composites. The predict models were experimentally proved with the maximum coincidence.

Keywords: Analysis of variance (ANOVA), Artificial neural network (ANN), Polymer composites, Taguchi’s orthogonal array.

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8 TiO2/Clay Minerals (Palygorskite/Halloysite) Nanocomposite Coatings for Water Disinfection

Authors: Dionisios Panagiotaras, Dimitrios Papoulis, Elias Stathatos

Abstract:

Microfibrous palygorskite and tubular halloysite clay mineral combined with nanocrystalline TiO2 are incorporating in the preparation of nanocomposite films on glass substrates via sol-gel route at 450oC. The synthesis is employing nonionic surfactant molecule as pore directing agent along with acetic acid-based sol-gel route without addition of water molecules. Drying and thermal treatment of composite films ensure elimination of organic material lead to the formation of TiO2 nanoparticles homogeneously distributed on the palygorskite or halloysite surfaces. Nanocomposite films without cracks of active anatase crystal phase on palygorskite and halloysite surfaces are characterized by microscopy techniques, UV-Vis spectroscopy, and porosimetry methods in order to examine their structural properties.

The composite palygorskite-TiO2 and halloysite-TiO2 films with variable quantities of palygorskite and halloysite were tested as photocatalysts in the photo-oxidation of Basic Blue 41 azo dye in water. These nanocomposite films proved to be most promising photocatalysts and highly effective to dye’s decoloration in spite of small amount of palygorskite-TiO2 or halloysite-TiO2 catalyst immobilized onto glass substrates mainly due to the high surface area and uniform distribution of TiO2 on clay minerals avoiding aggregation.

Keywords: Halloysite, Palygorskite, Photocatalysis, Titanium Dioxide.

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7 Up Scaling of Highly Transparent Quasi-Solid State, Dye-Sensitized Solar Devices Composed of Nanocomposite Materials

Authors: Dimitra Sygkridou, Andreas Rapsomanikis, Elias Stathatos, Polycarpos Falaras, Evangelos Vitoratos

Abstract:

At the present work, highly transparent strip type quasi-solid state dye-sensitized solar cells (DSSCs) were fabricated through inkjet printing using nanocomposite TiO2 inks as raw materials and tested under outdoor illumination conditions. The cells, which can be considered as the structural units of large area modules, were fully characterized electrically and electrochemically and after the evaluation of the received results a large area DSSC module was manufactured. The module design was a sandwich Z-interconnection where the working electrode is deposited on one conductive glass and the counter electrode on a second glass. Silver current collective fingers were printed on the conductive glasses to make the internal electrical connections and the adjacent cells were connected in series and finally insulated using a UV curing resin to protect them from the corrosive (I-/I3-) redox couple of the electrolyte. Finally, outdoor tests were carried out to the fabricated dye-sensitized solar module and its performance data were collected and assessed.

Keywords: Dye-sensitized solar devices, inkjet printing, quasi-solid state electrolyte, transparency, up scaling.

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6 Feasibility Investigation of Near Infrared Spectrometry for Particle Size Estimation of Nano Structures

Authors: A. Bagheri Garmarudi, M. Khanmohammadi, N. Khoddami, K. Shabani

Abstract:

Determination of nano particle size is substantial since the nano particle size exerts a significant effect on various properties of nano materials. Accordingly, proposing non-destructive, accurate and rapid techniques for this aim is of high interest. There are some conventional techniques to investigate the morphology and grain size of nano particles such as scanning electron microscopy (SEM), atomic force microscopy (AFM) and X-ray diffractometry (XRD). Vibrational spectroscopy is utilized to characterize different compounds and applied for evaluation of the average particle size based on relationship between particle size and near infrared spectra [1,4] , but it has never been applied in quantitative morphological analysis of nano materials. So far, the potential application of nearinfrared (NIR) spectroscopy with its ability in rapid analysis of powdered materials with minimal sample preparation, has been suggested for particle size determination of powdered pharmaceuticals. The relationship between particle size and diffuse reflectance (DR) spectra in near infrared region has been applied to introduce a method for estimation of particle size. Back propagation artificial neural network (BP-ANN) as a nonlinear model was applied to estimate average particle size based on near infrared diffuse reflectance spectra. Thirty five different nano TiO2 samples with different particle size were analyzed by DR-FTNIR spectrometry and the obtained data were processed by BP- ANN.

Keywords: near infrared, particle size, chemometrics, neuralnetwork, nano structure.

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5 Solar Photocatalysis of Methyl Orange Using Multi-Ion Doped TiO2 Catalysts

Authors: Victor R. Thulari, John Akach, Haleden Chiririwa, Aoyi Ochieng

Abstract:

Solar-light activated titanium dioxide photocatalysts were prepared by hydrolysis of titanium (IV) isopropoxide with thiourea, followed by calcinations at 450 °C. The experiments demonstrated that methyl orange in aqueous solutions were successfully degraded under solar light using doped TiO2. The photocatalytic oxidation of a mono azo methyl-orange dye has been investigated in multi ion doped TiO2 and solar light. Solutions were irradiated by solar-light until high removal was achieved. It was found that there was no degradation of methyl orange in the dark and in the absence of TiO2. Varieties of laboratory prepared TiO2 catalysts both un-doped and doped using titanium (IV) isopropoxide and thiourea as a dopant were tested in order to compare their photoreactivity. As a result, it was found that the efficiency of the process strongly depends on the working conditions. The highest degradation rate of methyl orange was obtained at optimum dosage using commercially produced TiO2. Our work focused on laboratory synthesized catalyst and the maximum methyl orange removal was achieved at 81% with catalyst loading of 0.04 g/L, initial pH of 3 and methyl orange concentration of 0.005 g/L using multi-ion doped catalyst. The kinetics of photocatalytic methyl orange dye stuff degradation was found to follow a pseudo-first-order rate law. The presence of the multi-ion dopant (thiourea) enhanced the photoefficiency of the titanium dioxide catalyst.

Keywords: Degradation, kinetics, methyl orange, photocatalysis.

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4 Theoretical Investigation of Carbazole-Based D-D-π-A Organic Dyes for Efficient Dye-Sensitized Solar Cell

Authors: S. Jungsuttiwong, R. Tarsang, S. Pansay, T. Yakhantip, V. Promarak, T. Sudyoadsuk, T. Kaewin, S. Saengsuwan, S. Namuangrak

Abstract:

In this paper, four carbazole-based D-D-π-A organic dyes code as CCT2A, CCT3A, CCT1PA and CCT2PA were reported. A series of these organic dyes containing identical donor and acceptor group but different π-system. The effect of replacing of thiophene by phenyl thiophene as π-system on the physical properties has been focused. The structural, energetic properties and absorption spectra were theoretically investigated by means of Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT). The results show that nonplanar conformation due to steric hindrance in donor part (cabazolecarbazole unit) of dye molecule can prevent unfavorable dye aggregation. By means of the TD-DFT method, the absorption spectra were calculated by B3LYP and BHandHLYP to study the affect of hybrid functional on the excitation energy (Eg). The results revealed the increasing of thiophene units not only resulted in decreasing of Eg, but also found the shifting of absorption spectra to higher wavelength. TD-DFT/BHandHLYP calculated results are more strongly agreed with the experimental data than B3LYP functions. Furthermore, the adsorptions of CCT2A and CCT3A on the TiO2 anatase (101) surface were carried out by mean of the chemical periodic calculation. The result exhibit the strong adsorption energy. The calculated results provide our new organic dyes can be effectively used as dye for Dye Sensitized Solar Cell (DSC).

Keywords: Dye-Sensitized Solar cell, Carbarzole, TD-DFT, D-D-π-A organic dye

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3 Removal of Elemental Mercury from Dry Methane Gas with Manganese Oxides

Authors: Junya Takenami, Md. Azhar Uddin, Eiji Sasaoka, Yasushi Shioya, Tsuneyoshi Takase

Abstract:

In this study, we sought to investigate the mercury removal efficiency of manganese oxides from natural gas. The fundamental studies on mercury removal with manganese oxides sorbents were carried out in a laboratory scale fixed bed reactor at 30 °C with a mixture of methane (20%) and nitrogen gas laden with 4.8 ppb of elemental mercury. Manganese oxides with varying surface area and crystalline phase were prepared by conventional precipitation method in this study. The effects of surface area, crystallinity and other metal oxides on mercury removal efficiency were investigated. Effect of Ag impregnation on mercury removal efficiency was also investigated. Ag supported on metal oxide such titania and zirconia as reference materials were also used in this study for comparison. The characteristics of mercury removal reaction with manganese oxide was investigated using a temperature programmed desorption (TPD) technique. Manganese oxides showed very high Hg removal activity (about 73-93% Hg removal) for first time use. Surface area of the manganese oxide samples decreased after heat-treatment and resulted in complete loss of Hg removal ability for repeated use after Hg desorption in the case of amorphous MnO2, and 75% loss of the initial Hg removal activity for the crystalline MnO2. Mercury desorption efficiency of crystalline MnO2 was very low (37%) for first time use and high (98%) after second time use. Residual potassium content in MnO2 may have some effect on the thermal stability of the adsorbed Hg species. Desorption of Hg from manganese oxides occurs at much higher temperatures (with a peak at 400 °C) than Ag/TiO2 or Ag/ZrO2. Mercury may be captured on manganese oxides in the form of mercury manganese oxide.

Keywords: Mercury removal, Metal and metal oxide sorbents, Methane, Natural gas.

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2 Effect of Exit Annular Area on the Flow Field Characteristics of an Unconfined Premixed Annular Swirl Burner

Authors: Vishnu Raj, Chockalingam Prathap

Abstract:

The objective of this study was to explore the impact of variation in the exit annular area on the local flow field features and the flame stability of an annular premixed swirl burner (unconfined) operated with a premixed n-butane air mixture at an equivalence ratio (Φ) = 1, 1 bar, and 300K. A swirl burner with an axial swirl generator having a swirl number of 1.5 was used. Three different burner heads were chosen to have the exit area increased from 100%, 160%, and 220% resulting in inner and outer diameters and cross-sectional areas as (1) 10 mm & 15 mm, 98 mm2 (2) 17.5 mm & 22.5 mm, 157 mm2 and (3) 25 mm & 30 mm, 216 mm2. The bulk velocity and Reynolds number based on the hydraulic diameter and unburned gas properties were kept constant at 12 m/s and 4000. (i) Planar Particle Image Velocimetry (PIV) with TiO2 seeding particles and (ii) CH* chemiluminescence was used to measure the velocity fields and reaction zones of the swirl flames at 5 Hz, respectively. Velocity fields and the jet spreading rates measured at the isothermal and reactive conditions revealed that the presence of a flame significantly altered the flow field in the radial direction due to the gas expansion. Important observations from the flame measurements were: the height and maximum width of the recirculation bubbles normalized by the hydraulic diameter, and the jet spreading angles for the flames for the three exit area cases were: (a) 4.52, 1.95, 34◦, (b) 6.78, 2.37, 26◦, and (c) 8.73, 2.32, 22◦. The lean blowout (LBO) was also measured, and the respective equivalence ratios were: 0.80, 0.92, and 0.82. LBO was relatively narrow for the 157 mm2 case. For this case, PIV measurements showed that Turbulent Kinetic Energy and turbulent intensity were relatively high compared to the other two cases, resulting in higher stretch rates and narrower LBO.

Keywords: Chemiluminescence, jet spreading rate, lean blow out, swirl flow.

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1 A Simple Chemical Precipitation Method of Titanium Dioxide Nanoparticles Using Polyvinyl Pyrrolidone as a Capping Agent and Their Characterization

Authors: V. P. Muhamed Shajudheen, K. Viswanathan, K. Anitha Rani, A. Uma Maheswari, S. Saravana Kumar

Abstract:

In this paper, a simple chemical precipitation route for the preparation of titanium dioxide nanoparticles, synthesized by using titanium tetra isopropoxide as a precursor and polyvinyl pyrrolidone (PVP) as a capping agent, is reported. The Differential Scanning Calorimetry (DSC) and Thermo Gravimetric Analysis (TGA) of the samples were recorded and the phase transformation temperature of titanium hydroxide, Ti(OH)4 to titanium oxide, TiO2 was investigated. The as-prepared Ti(OH)4 precipitate was annealed at 800°C to obtain TiO2 nanoparticles. The thermal, structural, morphological and textural characterizations of the TiO2 nanoparticle samples were carried out by different techniques such as DSC-TGA, X-Ray Diffraction (XRD), Fourier Transform Infra-Red spectroscopy (FTIR), Micro Raman spectroscopy, UV-Visible absorption spectroscopy (UV-Vis), Photoluminescence spectroscopy (PL) and Field Effect Scanning Electron Microscopy (FESEM) techniques. The as-prepared precipitate was characterized using DSC-TGA and confirmed the mass loss of around 30%. XRD results exhibited no diffraction peaks attributable to anatase phase, for the reaction products, after the solvent removal. The results indicate that the product is purely rutile. The vibrational frequencies of two main absorption bands of prepared samples are discussed from the results of the FTIR analysis. The formation of nanosphere of diameter of the order of 10 nm, has been confirmed by FESEM. The optical band gap was found by using UV-Visible spectrum. From photoluminescence spectra, a strong emission was observed. The obtained results suggest that this method provides a simple, efficient and versatile technique for preparing TiO2 nanoparticles and it has the potential to be applied to other systems for photocatalytic activity.

Keywords: TiO2 nanoparticles, chemical precipitation route, phase transition, Fourier Transform Infra-Red spectroscopy, micro Raman spectroscopy, UV-Visible absorption spectroscopy, Photoluminescence spectroscopy, Field Effect Scanning Electron Microscopy.

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