Abstracts | Chemical and Molecular Engineering
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2621

World Academy of Science, Engineering and Technology

[Chemical and Molecular Engineering]

Online ISSN : 1307-6892

1031 Synthesis, Characterization and Photocatalytic Performance of TiO2 Co-doped with Bismuth and Zinc

Authors: B.Benalioua, I.Benyamina, A.Bentouami, B.Boury

Abstract:

The objective of this study is based on the synthesis of a new photocatalyst based on TiO2 and its application in the photo-degradation of an acid dye under the visible light. The material obtained was characterized by different techniques like diffuse reflectance UV–Vis spectroscopy (DRS), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The photocatalytic efficiency of the Bi, Zn co-doped TiO2 treated at 670°C for 2 h was tested on the Indigo Carmine under the irradiation of visible light and compared with that of the commercial titanium oxide TiO2-P25 (Degussa). The XRD characterization of the material Bi-Zn-TiO2 (670°C) revealed the presence of the anatase phase and the absence of the rutile phase in comparison of the TiO2 P25 diffractogram. Characterization by UV- visible diffuse reflection (DRS) material showed that the Bi-Zn-TiO2 exhibits redshift (move visible) relative to commercial titanium oxide TiO2-P25, this property promises a photocatalytic activity of Bi-Zn-TiO2 under visible light. Indeed, the efficiency of photocatalytic Bi-Zn-TiO2 as a visible light is shown by a complete discoloration of indigo carmine solution of 16 mg/L after 70 minutes, whereas with the P25-TiO2 discoloration is achieved after 120 minutes.

Keywords: POA, heterogeneous photocatalysis, TiO2, co-doping

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1030 Protective Effect of Malva sylvestris L. against Sodium Fluoride-Induced Nephrotoxicity in Rat

Authors: Ali Babaei Zarch, S. Kianbakht, H. Fallah Huseini, P. Changaei, A. Mirjalili, J. Salehi

Abstract:

Background: Malva sylvestris L. is widely used in the traditional medicine of Iran and other countries to treat gastrointestinal, respiratory, skin and urological Disorders. Moreover, it has antioxidant property. Objective: In this study the protective effect of Malva sylvestris against sodium fluoride-induced nephrotoxicity in rats were evaluated. Methods: The Malva sylvestris flower extract was injected intraperitoneally at the doses of 100, 200, 400 mg/kg/day to groups of rats ( 10 in each group) for 1 week and subsequently 600 ppm sodium fluoride was added daily to the rats drinking water for 1 additional week. After these steps, the rats’ serum levels of urea, creatinine, reduced glutathione, catalase and malondialdehyde were determined. The histopathology of the rats’ kidney was also studied. Results: Malva sylvesteries extract with doses of 400 mg/kg/day significantly decreased the urea and creatinine levels (P<0.05). Moreover, the levels of catalase and glutathione were increased by this dose, but only the catalase increase was statistically significant (P<0.05). All three extract doses of Malva decreased the malondialdehyde level, but it was significant only for the dose 400 mg/kg/day (P<0.05). Histopathological findings also showed a protective effect of Malva against renal damage induced by sodium fluoride. Conclusion: The results suggest that Malva sylvestris has a protective effect against sodium fluoride-induced nephrotoxicity through its antioxidant property.

Keywords: Malva sylvestris, mephrotoxicity, sodium fluoride, rat  

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1029 Novel Bioinspired Design to Capture Smoky CO2 by Reactive Absorption with Aqueous Scrubber

Authors: J. E. O. Hernandez

Abstract:

In the next 20 years, energy production by burning fuels will increase and so will the atmospheric concentration of CO2 and its well-known threats to life on Earth. The technologies available for capturing CO2 are still dubious and this keeps fostering an interest in bio-inspired approaches. The leading one is the application of carbonic anhydrase (CA) –a superfast biocatalyst able to convert up to one million molecules of CO2 into carbonates in water. However, natural CA underperforms when applied to real smoky CO2 in chimneys and, so far, the efforts to create superior CAs in the lab rely on screening methods running under pristine conditions at the micro level, which are far from resembling those in chimneys. For the evolution of man-made enzymes, selection rather than screening would be ideal but this is challenging because of the need for a suitable artificial environment that is also sustainable for our society. Herein we present the stepwise design and construction of a bioprocess (from bench-scale to semi-pilot) for evolutionary selection experiments. In this bioprocess, reaction and adsorption took place simultaneously at atmospheric pressure in a spray tower. The scrubbing solution was fed countercurrently by reusing municipal pressure and it was mainly prepared with water, carbonic anhydrase and calcium chloride. This bioprocess allowed for the enzymatic carbonation of smoky CO2; the reuse of process water and the recovery of solid carbonates without cooling of smoke, pretreatments, solvent amines and compression of CO2. The average yield of solid carbonates was 0.54 g min-1 or 12-fold the amount produced in serum bottles at lab bench scale. This bioprocess could be used as a tailor-made environment for driving the selection of superior CAs. The bioprocess and its match CA could be sustainably used to reduce global warming by CO2 emissions from exhausts.

Keywords: biological carbon capture and sequestration, carbonic anhydrase, directed evolution, global warming

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1028 Toxic Dyes Removal in Aqueous Solution Using Calcined and Uncalcined Anionic Clay Zn/Al+Fe

Authors: Bessaha Hassiba, Bouraada Mohamed

Abstract:

Layered double hydroxide with Zn/(Al+Fe) molar ratio of 3:1 was synthesized by co-precipitation method and their calcined product was obtained by heating treatment of ZAF-HT at 500°C. The calcined and uncalcined materials were used to remove weak acid dyes: indigo carmine (IC) and green bezanyl-F2B (F2B) in aqueous solution. The synthesized materials were characterized by XRD, SEM, FTIR and TG/DTA analysis confirming the formation of pure layered structure of ZAF-HT, the destruction of the original structure after calcination and the intercalation of the dyes molecules. Moreover, the interlayer distance increases from 7.645 Å in ZAF-HT to 19.102 Å after the dyes sorption. The dose of the adsorbents was chosen 0.5 g/l while the initial concentrations were 250 and 750 mg/l for indigo carmine and green bezanyl-F2B respectively. The sorption experiments were carried out at ambient temperature and without adjusting the initial solution pH (pHi = 6.10 for IC and pHi = 5.01 for F2B). In addition, the maximum adsorption capacities obtained by ZAF-HT and CZAF for both dyes followed the order: CZAF-F2B (1501.4 mg.g-1) > CZAF-IC (617.3 mg.g-1) > ZAF-HT-IC (41.4 mg.g-1) > ZAF-HT-F2B (28.9 mg.g-1). The removal of indigo carmine and green bezanyl-F2B by ZAF-HT was due to the anion exchange and/or the adsorption on the surface. By using the calcined material (CZAF), the removal of the dyes was based on a particular property, called ‘memory effect’. CZAF recover the pristine structure in the presence anionic molecules such as acid dyes where they occupy the interlayer space. The sorption process was spontaneous in nature and followed pseudo-second-order. The isotherms showed that the removal of IC and F2B by ZAF-HT and CZAF were consistent with Langmiur model.

Keywords: acid dyes, adsorption, calcination, layered double hydroxides

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1027 Preparation of Nanophotonics LiNbO3 Thin Films and Studying Their Morphological and Structural Properties by Sol-Gel Method for Waveguide Applications

Authors: A. Fakhri Makram, Marwa S. Alwazni, Al-Douri Yarub, Evan T. Salim, Hashim Uda, Chin C. Woei

Abstract:

Lithium niobate (LiNbO3) nanostructures are prepared on quartz substrate by the sol-gel method. They have been deposited with different molarity concentration and annealed at 500°C. These samples are characterized and analyzed by X-ray diffraction (XRD), Scanning Electron Microscope (SEM) and Atomic Force Microscopy (AFM). The measured results showed an importance increasing in molarity concentrations that indicate the structure starts to become crystal, regular, homogeneous, well crystal distributed, which made it more suitable for optical waveguide application.

Keywords: lithium niobate, morphological properties, thin film, pechini method, XRD

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1026 Uniform Porous Multilayer-Junction Thin Film for Enhanced Gas-Sensing Performance

Authors: Ping-Ping Zhang, Hui-Zhang, Xu-Hui Sun

Abstract:

Highly-uniform In2O3/CuO bilayer and multilayer porous thin films were successfully fabricated using self-assembled soft template and simple sputtering deposition technique. The sensor based on the In2O3/CuO bilayer porous thin film shows obviously improved sensing performance to ethanol at the lower working temperature, compared to single layer counterpart sensors. The response of In2O3/CuO bilayer sensors exhibits nearly 3 and 5 times higher than those of the single layer In2O3 and CuO porous film sensors over the same ethanol concentration, respectively. The sensing mechanism based on p-n hetero-junction, which contributed to the enhanced sensing performance was also experimentally confirmed by a control experiment which the SiO2 insulation layer was inserted between the In2O3 and CuO layers to break the p-n junction. In addition, the sensing performance can be further enhanced by increasing the number of In2O3/CuO junction layers. The facile process can be easily extended to the fabrication of other semiconductor oxide gas sensors for practical sensing applications.

Keywords: gas sensor, multilayer porous thin films, In2O3/CuO, p-n junction

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1025 Multi-Template Molecularly Imprinted Polymer: Synthesis, Characterization and Removal of Selected Acidic Pharmaceuticals from Wastewater

Authors: Lawrence Mzukisi Madikizela, Luke Chimuka

Abstract:

Removal of organics from wastewater offers a better water quality, therefore, the purpose of this work was to investigate the use of molecularly imprinted polymer (MIP) for the elimination of selected organics from water. A multi-template MIP for the adsorption of naproxen, ibuprofen and diclofenac was synthesized using a bulk polymerization method. A MIP was synthesized at 70°C by employing 2-vinylpyridine, ethylene glycol dimethacrylate, toluene and 1,1’-azobis-(cyclohexanecarbonitrile) as functional monomer, cross-linker, porogen and initiator, respectively. Thermogravimetric characterization indicated that the polymer backbone collapses at 250°C and scanning electron microscopy revealed the porous and roughness nature of the MIP after elution of templates. The performance of the MIP in aqueous solutions was evaluated by optimizing several adsorption parameters. The optimized adsorption conditions were 50 mg of MIP, extraction time of 10 min, a sample pH of 4.6 and the initial concentration of 30 mg/L. The imprinting factors obtained for naproxen, ibuprofen and diclofenac were 1.25, 1.42, and 2.01, respectively. The order of selectivity for the MIP was; diclofenac > ibuprofen > naproxen. MIP showed great swelling in water with an initial swelling rate of 2.62 g/(g min). The synthesized MIP proved to be able to adsorb naproxen, ibuprofen and diclofenac from contaminated deionized water, wastewater influent and effluent.

Keywords: adsorption, molecularly imprinted polymer, multi template, pharmaceuticals

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1024 Identification of Key Parameters for Benchmarking of Combined Cycle Power Plants Retrofit

Authors: S. Sabzchi Asl, N. Tahouni, M. H. Panjeshahi

Abstract:

Benchmarking of a process with respect to energy consumption, without accomplishing a full retrofit study, can save both engineering time and money. In order to achieve this goal, the first step is to develop a conceptual-mathematical model that can easily be applied to a group of similar processes. In this research, we have aimed to identify a set of key parameters for the model which is supposed to be used for benchmarking of combined cycle power plants. For this purpose, three similar combined cycle power plants were studied. The results showed that ambient temperature, pressure and relative humidity, number of HRSG evaporator pressure levels and relative power in part load operation are the main key parameters. Also, the relationships between these parameters and produced power (by gas/ steam turbine), gas turbine and plant efficiency, temperature and mass flow rate of the stack flue gas were investigated.

Keywords: combined cycle power plant, energy benchmarking, modelling, retrofit

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1023 Optimized Simultaneous Determination of Theobromine and Caffeine in Fermented and Unfermented Cacao Beans and in Cocoa Products Using Step Gradient Solvent System in Reverse Phase HPLC

Authors: Ian Marc G. Cabugsa, Kim Ryan A. Won

Abstract:

Fast, reliable and simultaneous HPLC analysis of theobromine and caffeine in cacao and cocoa products was optimized in this study. The samples tested were raw, fermented, and roasted cacao beans as well as commercially available cocoa products. The HPLC analysis was carried out using step gradient solvent system with acetonitrile and water buffered with H3PO4 as the mobile phase. The HPLC system was optimized using 273 nm wavelength at 35 °C for the column temperature with a flow rate of 1.0 mL/min. Using this method, the theobromine percent recovery mean, Limit of Detection (LOD) and Limit of Quantification (LOQ) is 118.68(±3.38)%, 0.727 and 1.05 respectively. The percent recovery mean, LOD and LOQ for caffeine is 105.53(±3.25)%, 2.42 and 3.50 respectively. The inter-day and intra-day precision for theobromine is 4.31% and 4.48% respectively, while 7.02% and 7.03% was for caffeine respectively. Compared to the standard method in AOAC using methanol in isocratic solvent system, the results of the study produced lesser chromatogram noise with emphasis on theobromine and caffeine. The method is readily usable for cacao and cocoa substances analyses using HPLC with step gradient capability.

Keywords: cacao, caffeine, HPLC, step gradient solvent system, theobromine

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1022 Ultradrawing and Ultimate Pensile Properties of Ultra-High Molecular Weight Polyethylene Nanocomposite Fibers Filled with Cellulose Nanofibers

Authors: Zhong-Dan Tu, Wang-Xi Fan, Yi-Chen Huang, Jen-Taut Yeh

Abstract:

Novel ultrahigh molecular weight polyethylene (UHMWPE)/cellulose nanofiber (CNF) (F100CNFy) and UHMWPE/modified cellulose nanofiber (MCNF) (F100MCNFxy) as-prepared nanocomposite fibers were prepared by spinning F100CNFy and F100MCNFxy gel solutions, respectively. Cellulose nanofibers were successfully prepared by proper acid treatment of cotton fibers using sulfuric acid solutions. The best prepared CNF is with specific surface areas around 120 m2/g and a nanofiber diameter of 20 nm. Modified cellulose nanofiber was prepared by grafting maleic anhydride grafted polyethylene (PE-g-MAH) onto cellulose nanofibers. The achievable draw ratio (Dra) values of each F100MCNFxy as-prepared fiber series specimens approached a maximal value as their MCNF contents reached the optimal value at 0.05 phr. In which, the maximum Dra value obtained for F100MCNFx0.05 as-prepared fiber specimen prepared at the optimal MCNF content reached another maximum value as the weight ratio of PE-g-MAH to CNF approach an optimal value at 6. Similar to those found for the achievable drawing properties of the as-prepared fibers, the orientation factor, tensile strength (σ f) and initial modulus (E) values of drawn F100MCNF6y fiber series specimens with a fixed draw ratio reach a maximal value as their MCNF contents approach the optimal value, wherein the σ f and E values of the drawn F100MCNFxy fiber specimens are significantly higher than those of the drawn F100 fiber specimens and corresponding drawn F100CNFy fiber specimens prepared at the same draw ratios and CNF contents but without modification. To understand the interesting ultradrawing, thermal, orientation and tensile properties of F100CNFy and F100MCNFxy fiber specimens, Fourier transform infra-red, specific surface areas, and transmission electron microcopic analyses of the original and modified CNF nanofillers were performed in this study.

Keywords: ultradrawing, cellulose nanofibers, ultrahigh molecular weight polyethylene, nanocomposite fibers

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1021 Entropy Analysis in a Bubble Column Based on Ultrafast X-Ray Tomography Data

Authors: Stoyan Nedeltchev, Markus Schubert

Abstract:

By means of the ultrafast X-ray tomography facility, data were obtained at different superficial gas velocities UG in a bubble column (0.1 m in ID) operated with an air-deionized water system at ambient conditions. Raw reconstructed images were treated by both the information entropy (IE) and the reconstruction entropy (RE) algorithms in order to identify the main transition velocities in a bubble column. The IE values exhibited two well-pronounced minima at UG=0.025 m/s and UG=0.085 m/s identifying the boundaries of the homogeneous, transition and heterogeneous regimes. The RE extracted from the central region of the column’s cross-section exhibited only one characteristic peak at UG=0.03 m/s, which was attributed to the transition from the homogeneous to the heterogeneous flow regime. This result implies that the transition regime is non-existent in the core of the column.

Keywords: bubble column, ultrafast X-ray tomography, information entropy, reconstruction entropy

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1020 Development of Rh/Ce-Zr-La/Al2O3 TWCs’ Wash Coat: Effect of Reactor on Catalytic and Thermal Stability

Authors: Su-Ning Wang, Yao-Qiang Chen

Abstract:

The CeO2-ZrO2-La2O3-Al2O3 composite oxides are synthesized using co-precipitation method by two different reactors (i.e. continuous stirred-tank reactor and batch reactor), and the corresponding Rh-only three-way catalysts are obtained by wet-impregnation approach. The textural, structural, morphology and redox properties of the support materials, as well as the catalytic performance of the Rh-only catalyst are investigated systematically. The results reveal that the materials (CZLA-C) synthesized by continuous stirred-tank reactor have a better physic-chemical properties than the counterpart material (CZLA-B) prepared by batch reactor. After aging treatment at 1000 ℃ for 5 h, the BET surface area and pore volume of S1 reach up to 76 m2 g-1 and 0.36 mL/g, respectively, which is higher than that of S2. The XRD and Raman results demonstrate that a high structural stability is obtained by S1 because of the negligible lattice variation and the slight grain growth after aging treatment. The SEM and TEM images display that the morphology of S1 is assembled by many homogeneous primary nanoparticles (about 6.12 nm) that are connected to form mesoporous structure The TPR measurement shows that S1 possesses a higher reduction ability than S2. Compared with the catalyst supported on the CZLA-B, the as-prepared CZLA-C demonstrates an improved three-way catalytic activity both before and after aging treatment.

Keywords: composite oxides, reactor, catalysis, catalytic performance

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1019 Microstructure and Electrochemical Properties of LiNi1/3Co1/3Mn1/3-xAlxO2 Cathode Material for Lithium Ion Batteries

Authors: Wei-Bo Hua, Zhuo Zheng, Xiao-Dong Guo, Ben-He Zhong

Abstract:

The layered structure LiNi1/3Co1/3Mn1/3-xAlxO2 (x = 0 ~ 0.04) series cathode materials were synthesized by a carbonate co-precipitation method, followed by a high temperature calcination process. The influence of Al substitution on the microstructure and electrochemical performances of the prepared materials was investigated by X-Ray diffraction (XRD), scanning electron microscopy (SEM), and galvanostatic charge/discharge test. The results show that the LiNi1/3Co1/3Mn1/3-xAlxO2 has a well-ordered hexagonal "α" -NaFeO2 structure. Although the discharge capacity of Al-doped samples decreases as x increases, LiNi1/3Co1/3Mn1/3-0.02Al0.02O2 exhibits superior capacity retention at high voltage (4.6 V). Therefore, LiNi1/3Co1/3Mn1/3-0.02Al0.02O2 is a promising material for “green” vehicles.

Keywords: lithium ion battery, carbonate co-precipitation, doping, microstructure, electrochemical properties

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1018 The Mechanism Study on the Difference between High and Low Voltage Performance of Li3V2(PO4)3

Authors: Enhui Wang, Qingzhu Ou, Yan Tang, Xiaodong Guo

Abstract:

As one of most popular polyanionic compounds in lithium-ion cathode materials, Li3V2(PO4)3 has always suffered from the low rate capability especially during 3~4.8V, which is considered to be related with the ion diffusion resistance and structural transformation during the Li+ de/intercalation. Here, as the change of cut-off voltages, cycling numbers and current densities, the process of SEI interfacial film’s formation-growing- destruction-repair on the surface of the cathode, the structural transformation during the charge and discharge, the de/intercalation kinetics reflected by the electrochemical impedance and the diffusion coefficient, have been investigated in detail. Current density, cycle numbers and cut-off voltage impacting on interfacial film and structure was studied specifically. Firstly, the matching between electrolyte and material was investigated, it turned out that the batteries with high voltage electrolyte showed the best electrochemical performance and high voltage electrolyte would be the best electrolyte. Secondly, AC impedance technology was used to study the changes of interface impedance and lithium ion diffusion coefficient, the results showed that current density, cycle numbers and cut-off voltage influenced the interfacial film together and the one who changed the interfacial properties most was the key factor. Scanning electron microscopy (SEM) analysis confirmed that the attenuation of discharge specific capacity was associated with the destruction and repair process of the SEI film. Thirdly, the X-ray diffraction was used to study the changes of structure, which was also impacted by current density, cycle numbers and cut-off voltage. The results indicated that the cell volume of Li3V2 (PO4 )3 increased as the current density increased; cycle numbers merely influenced the structure of material; the cell volume decreased first and moved back gradually after two Li-ion had been deintercalated as the charging cut-off voltage increased, and increased as the intercalation number of Li-ion increased during the discharging process. Then, the results which studied the changes of interface impedance and lithium ion diffusion coefficient turned out that the interface impedance and lithium ion diffusion coefficient increased when the cut-off voltage passed the voltage platforms and decreased when the cut-off voltage was between voltage platforms. Finally, three-electrode system was first adopted to test the activation energy of the system, the results indicated that the activation energy of the three-electrode system (22.385 KJ /mol) was much smaller than that of two-electrode system (40.064 KJ /mol).

Keywords: cut-off voltage, de/intercalation kinetics, solid electrolyte interphase film, structural transformation

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1017 Preparation and Characterization of Photocatalyst for the Conversion of Carbon Dioxide to Methanol

Authors: D. M. Reddy Prasad, Nur Sabrina Binti Rahmat, Huei Ruey Ong, Chin Kui Cheng, Maksudur Rahman Khan, D. Sathiyamoorthy

Abstract:

Carbon dioxide (CO2) emission to the environment is inevitable which is responsible for global warming. Photocatalytic reduction of CO2 to fuel, such as methanol, methane etc. is a promising way to reduce greenhouse gas CO2 emission. In the present work, Bi2S3/CdS was synthesized as an effective visible light responsive photocatalyst for CO2 reduction into methanol. The Bi2S3/CdS photocatalyst was prepared by hydrothermal reaction. The catalyst was characterized by X-ray diffraction (XRD) instrument. The photocatalytic activity of the catalyst has been investigated for methanol production as a function of time. Gas chromatograph flame ionization detector (GC-FID) was employed to analyze the product. The yield of methanol was found to increase with higher CdS concentration in Bi2S3/CdS and the maximum yield was obtained for 45 wt% of Bi2S3/CdS under visible light irradiation was 20 μmole/g. The result establishes that Bi2S3/CdS is favorable catalyst to reduce CO2 to methanol.

Keywords: photocatalyst, CO2 reduction, methanol, visible light, XRD, GC-FID

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1016 Effect of Sintering Temperature on Transport Properties of Garnet-Type Solid-State Electrolytes for Energy Storage Systems

Authors: U. Farooq, A. Samson, V. Thangadurai, R. Edwards

Abstract:

In recent years, an impressive research has been conducted to introduce the solid-state electrolytes for the future energy storage devices like Li-ion batteries more specifically. In this work we tried to prepare a ceramic electrolyte (Li6.5 La2.5 Ba0.5 Nb Zr O12(LLBNZO)) and sintered the pallets of as-prepared material at elevated temperature like 1050, 1100, 1150 and 1200 °C. The objective to carry out this research was to observe the effect of temperature on porosity, density and transport properties of materials. Preliminary results suggest that the material sintered at higher temperature could show enhanced performance in terms of fast ionic transport. This enhancement in performance can be attributed to low porosity of materials which is result of high temperature sintering.

Keywords: solid state battery, electrolyte, garnet structures, Li-ion battery

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1015 Identification of the Main Transition Velocities in a Bubble Column Based on a Modified Shannon Entropy

Authors: Stoyan Nedeltchev, Markus Schubert

Abstract:

The gas holdup fluctuations in a bubble column (0.15 m in ID) have been recorded by means of a conductivity wire-mesh sensor in order to extract information about the main transition velocities. These parameters are very important for bubble column design, operation and scale-up. For this purpose, the classical definition of the Shannon entropy was modified and used to identify both the onset (at UG=0.034 m/s) of the transition flow regime and the beginning (at UG=0.089 m/s) of the churn-turbulent flow regime. The results were compared with the Kolmogorov entropy (KE) results. A slight discrepancy was found, namely the transition velocities identified by means of the KE were shifted to somewhat higher (0.045 and 0.101 m/s) superficial gas velocities UG.

Keywords: bubble column, gas holdup fluctuations, modified Shannon entropy, Kolmogorov entropy

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1014 Hydrothermal Synthesis of Carbon Sphere/Nickel Cobalt Sulfide Core/Shell Microstructure and Its Electrochemical Performance

Authors: Charmaine Lamiel, Van Hoa Nguyen, Marjorie Baynosa, Jae-Jin Shim

Abstract:

Electrochemical supercapacitors have attracted considerable attention because of their high potential as an efficient energy storage system. The combination of carbon-based material and transition metal oxides/sulfides are studied because they have long and improved cycle life as well as high energy and power densities. In this study, a hierarchical mesoporous carbon sphere/nickel cobalt sulfide (CS/Ni-Co-S) core/shell structure was synthesized using a facile hydrothermal method without any further sulfurization or post-heat treatment. The CS/Ni-Co-S core/shell microstructures exhibited a high capacitance of 724 F g−1 at 2 A g−1 in a 6 M KOH electrolyte. After 2000 charge-discharge cycles, it retained 86.1% of its original capacitance, with high Coulombic efficiency of 97.9%. The electrode exhibited a high energy density of 58.0 Wh kg−1 at an energy density of 1440 W kg−1, and high power density of 7200 W kg−1 at an energy density of 34.2 Wh kg−1. The successful synthesis was considered to be simple and cost-effective which supports the viability of this composite as an alternative activated material for high performance supercapacitors.

Keywords: carbon sphere, electrochemical, hydrothermal, nickel cobalt sulfide, supercapacitor

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1013 Prediction of Vapor Liquid Equilibrium for Dilute Solutions of Components in Ionic Liquid by Neural Networks

Authors: S. Mousavian, A. Abedianpour, A. Khanmohammadi, S. Hematian, Gh. Eidi Veisi

Abstract:

Ionic liquids are finding a wide range of applications from reaction media to separations and materials processing. In these applications, Vapor–Liquid equilibrium (VLE) is the most important one. VLE for six systems at 353 K and activity coefficients at infinite dilution 〖(γ〗_i^∞) for various solutes (alkanes, alkenes, cycloalkanes, cycloalkenes, aromatics, alcohols, ketones, esters, ethers, and water) in the ionic liquids (1-ethyl-3-methylimidazolium bis (trifluoromethylsulfonyl)imide [EMIM][BTI], 1-hexyl-3-methyl imidazolium bis (trifluoromethylsulfonyl) imide [HMIM][BTI], 1-octyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide [OMIM][BTI], and 1-butyl-1-methylpyrrolidinium bis (trifluoromethylsulfonyl) imide [BMPYR][BTI]) have been used to train neural networks in the temperature range from (303 to 333) K. Densities of the ionic liquids, Hildebrant constant of substances, and temperature were selected as input of neural networks. The networks with different hidden layers were examined. Networks with seven neurons in one hidden layer have minimum error and good agreement with experimental data.

Keywords: ionic liquid, neural networks, VLE, dilute solution

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1012 Dehydration of Glycerol to Acrolein with Solid Acid Catalysts

Authors: Lin Huang, Bo Wang, Armando Borgna

Abstract:

Dehydration of glycerol to acrolein was conducted with solid acid catalysts in liquid phase in a batch reactor and in gas phase in a fix-bed reactor, respectively. In the liquid-phase reaction, ZSM-5, H3PO4-modified ZSM-5 and heteropolyacids including H3PW12O40•xH2O (HPW) and Cs2.5H0.5PW12O40 (CsPW) were studied as catalysts. High temperatures and high boiling point solvents such as sulfolane improved the selectivity to acrolein through suppressing the formation of polyglycerols and coke. Catalytic results and temperature-programmed desorption of ammonia showed that the yield of acrolein increased with increasing catalyst acidity within the range of weak acid strength. Weak acid sites favored the selectivity to acrolein whereas strong acid sites promoted the formation of coke. ZSM-5 possessing only acid sites led to a high acrolein yield, while heteropolyacid catalysts with strong acid sites produced a low acrolein yield. In the gas-phase reaction, HPW and CsPW supported on metal oxides such as SiO2, γ-Al2O3, SiO2-Al2O3, ZrO2 and silicate TUD-1 were studied as catalysts. HPW/TUD-1 was most active for the production of acrolein, followed by HPW/SiO2. An acrolein yield of 61 % was obtained over HPW/TUD-1. X-ray diffraction study suggested that HPW and CsPW were stable and more dispersed on SiO2, silicate TUD-1 and SiO2-Al2O3. It was found that the structures of HPW and CsPW were destroyed by interaction with γ-Al2O3 and ZrO2. Compared to CsPW/TUD-1, the higher acrolein yield with HPW/TUD-1 may be attributed to more Brønsted acid sites on HPW/TUD-1, based on preliminary pyridine adsorption IR study.

Keywords: dehydration, glycerol, acrolein, solid acid catalysts, gas-phase, liquid-phase

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1011 Effect of Various Capping Agents on Photocatalytic, Antibacterial and Antibiofilm of ZnO Nanoparticles

Authors: K. Akhil, J. Jayakumar, S. Sudheer Khan

Abstract:

Zinc oxide nanoparticles (ZnO NPs) are extensively used in a wide variety of commercial products including sunscreen, textile and paints. The present study evaluated the effect of surface capping agents including polyethylene glycol (EG), gelatin, polyvinyl alcohol(PVA) and poly vinyl pyrrolidone(PVP) on photocatalytic activity of ZnO NPs. The particles were also tested for its antibacterial and antibiofilm activity against Staphylococcus aureus (MTCC 3160) and Pseudomonas aeruginosa (MTCC 1688). Preliminary characterization was done by UV-Visible spectroscopy. Electron microscopic analysis showed that the particles were hexagonal in shape. The hydrodynamic size distribution was analyzed by using dynamic light scattering method and crystalline nature was determined by X-Ray diffraction method.

Keywords: antibacterial, antibiofilm, capping agents, photodegradation, surface coating, zinc oxide nanoparticles

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1010 Channel Length Modulation Effect on Monolayer Graphene Nanoribbon Field Effect Transistor

Authors: Mehdi Saeidmanesh, Razali Ismail

Abstract:

Recently, Graphene Nanoribbon Field Effect Transistors (GNR FETs) attract a great deal of attention due to their better performance in comparison with conventional devices. In this paper, channel length Modulation (CLM) effect on the electrical characteristics of GNR FETs is analytically studied and modeled. To this end, the special distribution of the electric potential along the channel and current-voltage characteristic of the device is modeled. The obtained results of analytical model are compared to the experimental data of published works. As a result, it is observable that considering the effect of CLM, the current-voltage response of GNR FET is more realistic.

Keywords: graphene nanoribbon, field effect transistors, short channel effects, channel length modulation

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1009 Characterization of Sunflower Oil for Illustration of Its Components

Authors: Mehwish Shahzadi

Abstract:

Sunflower is cultivated all over the world not only as an ornament plant but also for the purpose of getting oil. It is the third most cultivated plant in the history because its oil considered best for health. The present study deals with the preparation of sunflower oil from commercial seed sample which was obtained from local market. The physicochemical properties of the oil were determined which included saponification value, acid value and ester value. Results showed that saponification value of the oil was 191.675, acid value was 0.64 and ester value to be 191.035 for the sample under observation. GC-MS analysis of sunflower oil was carried out to check its composition. Oleic acid was determined with linoleic acid and isopropyl palmitate. It represents the presence of three major components of sunflower oil. Other compounds detected were, p-toluylic acid, butylated hydroxytoluene, 1,2-benzenedicarboxylic acid, benzoic acid, 2,4,6-trimethyl-, 2,4,6-trimethylphenyl ester and 2,4-decadienal, (E,E).

Keywords: GC-MS, oleic acid, saponification value, sunflower oil

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1008 Synthesis and Characterization of Lactic Acid Grafted TiO2 Nanocomposites

Authors: Qasar Saleem

Abstract:

The aim of this project was to synthesize and analyze Polylactic acid-grafted TiO2 nanocomposite. When dispersed at the nanoscale TiO2 can behave as see through transparent UV filters and thermomechanical materials. The synthesis plan involved three stages. First, dispersion of TiO2 white powder in water/ethanol solvent system. Second grafting TiO2 surface by oligomers of lactic acid aimed at changing its surface features. Third polymerization of lactic acid monomer with grafted TiO2 in the presence of anhydrous stannous chloride as a catalyst. Polylactic acid grafted-TiO2 nanocomposite was synthesized by melt polycondensation in situ of lactic acid onto titanium oxide (TiO2) nanoparticles surface. The product was characterized by TGA, DSC, FTIR, and UV analysis and degradation observation. An idea regarding bonds between the grafting polymer and surface modified titanium oxide nanoparticles. Characteristics peaks of Ti–carbonyl bond, the related intensities of the Fourier transmission absorption peaks of graft composite, the melt and decomposition behavior stages of Polylactic acid-grafted TiO2 nanocomposite convinced that oligomers of polylactic acid were chemically bonded on the surface of TiO2 nanoparticles. Through grafting polylactic acid, the Polylactic acid grafted -TiO2 sample shown good absorption in UV region and degradation behavior under normal atmospheric conditions. Regaining transparency of degraded white opaque Polylactic acid-grafted TiO2 nanocomposite on heating was another character. Polylactic acid-grafted TiO2 nanocomposite will be a potential candidate in future for biomedical, UV shielding and environment friendly material.

Keywords: condensation, nanocomposites, oligomers, polylactic

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1007 Coating Solutions: Study of Rheology Behavior

Authors: D. Abid, A. Guettar, A. Toubane, A. Bouda, K. Daoud

Abstract:

The aim of this work is to study coating formulations rheology. Fourteen solutions were prepared with Hydroxypropyl methylcellulose (HPMC) percentage which varies from 2 to 20 %, Ethyl cellulose (EC) percentage varying from 1 to 3 % and Titanium dioxide (TiO2) percentage which vary from 1 to 3%, Opadry solution (25%) was used as a reference for this study. Two behaviors appeared obviously ‘pseudo plastic’ and ‘dilatant’ related to the percentage of HPMC, this allowed us to define that HPMC is the polymer which influence the behavior of coating solutions.

Keywords: rheology, opadry, HPMC, B1-B6 tablets

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1006 Mesoporous RGO@(Co,Mn)3O4 Nanocomposite Prepared by Microwave Method and Its Electrochemical Performance

Authors: Charmaine Lamiel, Van Hoa Nguyen, Jae-Jin Shim

Abstract:

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

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1005 An Electrochemical Enzymatic Biosensor Based on Multi-Walled Carbon Nanotubes and Poly (3,4 Ethylenedioxythiophene) Nanocomposites for Organophosphate Detection

Authors: Navpreet Kaur, Himkusha Thakur, Nirmal Prabhakar

Abstract:

The most controversial issue in crop production is the use of Organophosphate insecticides. This is evident in many reports that Organophosphate (OP) insecticides, among the broad range of pesticides are mainly involved in acute and chronic poisoning cases. OPs detection is of crucial importance for health protection, food and environmental safety. In our study, a nanocomposite of poly (3,4 ethylenedioxythiophene) (PEDOT) and multi-walled carbon nanotubes (MWCNTs) has been deposited electrochemically onto the surface of fluorine doped tin oxide sheets (FTO) for the analysis of malathion OP. The -COOH functionalization of MWCNTs has been done for the covalent binding with amino groups of AChE enzyme. The use of PEDOT-MWCNT films exhibited an excellent conductivity, enables fast transfer kinetics and provided a favourable biocompatible microenvironment for AChE, for the significant malathion OP detection. The prepared biosensors were characterized by Fourier transform infrared spectrometry (FTIR), Field emission-scanning electron microscopy (FE-SEM) and electrochemical studies. Various optimization studies were done for different parameters including pH (7.5), AChE concentration (50 mU), substrate concentration (0.3 mM) and inhibition time (10 min). Substrate kinetics has been performed and studied for the determination of Michaelis Menten constant. The detection limit for malathion OP was calculated to be 1 fM within the linear range 1 fM to 1 µM. The activity of inhibited AChE enzyme was restored to 98% of its original value by 2-pyridine aldoxime methiodide (2-PAM) (5 mM) treatment for 11 min. The oxime 2-PAM is able to remove malathion from the active site of AChE by means of trans-esterification reaction. The storage stability and reusability of the prepared biosensor is observed to be 30 days and seven times, respectively. The application of the developed biosensor has also been evaluated for spiked lettuce sample. Recoveries of malathion from the spiked lettuce sample ranged between 96-98%. The low detection limit obtained by the developed biosensor made them reliable, sensitive and a low cost process.

Keywords: PEDOT-MWCNT, malathion, organophosphates, acetylcholinesterase, biosensor, oxime (2-PAM)

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1004 Alumina Generated by Electrocoagulation as Adsorbent for the Elimination of the Iron from Drilling Water

Authors: Aimad Oulebsir, Toufik Chaabane, Venkataraman Sivasankar, André Darchen, Titus A. M. Msagati

Abstract:

Currently, the presence of pharmaceutical substances in the environment is an emerging pollution leading to the disruption of ecosystems. Indeed, water loaded with pharmaceutical residues is an issue that has raised the attention of researchers. The aim of this study was to monitor the effectiveness of the alumina electro-generated by the adsorption process the iron of well water for the production of drugs. The Fe2+ was removed from wastewater by adsorption in a batch cell. Performance results of iron removal by alumina electro-generated revealed that the efficiency of the carrier in the method of electro-generated adsorption. The overall Fe2+ of the synthetically solutions and simulated effluent removal efficiencies reached 75% and 65%, respectively. The application of models and isothermal adsorption kinetics complement the results obtained experimentally. Desorption of iron was investigated using a solution of 0.1M NaOH. Regeneration of the tests shows that the adsorbent maintains its capacity after five adsorption/desorption cycles.

Keywords: electrocoagulation, aluminum electrode, electrogenerated alumina, iron, adsorption/desorption

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1003 Preparation, Characterisation, and Measurement of the in vitro Cytotoxicity of Mesoporous Silica Nanoparticles Loaded with Cytotoxic Pt(II) Oxadiazoline Complexes

Authors: G. Wagner, R. Herrmann

Abstract:

Cytotoxic platinum compounds play a major role in the chemotherapy of a large number of human cancers. However, due to the severe side effects for the patient and other problems associated with their use, there is a need for the development of more efficient drugs and new methods for their selective delivery to the tumours. One way to achieve the latter could be in the use of nanoparticular substrates that can adsorb or chemically bind the drug. In the cell, the drug is supposed to be slowly released, either by physical desorption or by dissolution of the particle framework. Ideally, the cytotoxic properties of the platinum drug unfold only then, in the cancer cell and over a longer period of time due to the gradual release. In this paper, we report on our first steps in this direction. The binding properties of a series of cytotoxic Pt(II) oxadiazoline compounds to mesoporous silica particles has been studied by NMR and UV/vis spectroscopy. High loadings were achieved when the Pt(II) compound was relatively polar, and has been dissolved in a relatively nonpolar solvent before the silica was added. Typically, 6-10 hours were required for complete equilibration, suggesting the adsorption did not only occur to the outer surface but also to the interior of the pores. The untreated and Pt(II) loaded particles were characterised by C, H, N combustion analysis, BET/BJH nitrogen sorption, electron microscopy (REM and TEM) and EDX. With the latter methods we were able to demonstrate the homogenous distribution of the Pt(II) compound on and in the silica particles, and no Pt(II) bulk precipitate had formed. The in vitro cytotoxicity in a human cancer cell line (HeLa) has been determined for one of the new platinum compounds adsorbed to mesoporous silica particles of different size, and compared with the corresponding compound in solution. The IC50 data are similar in all cases, suggesting that the release of the Pt(II) compound was relatively fast and possibly occurred before the particles reached the cells. Overall, the platinum drug is chemically stable on silica and retained its activity upon prolonged storage.

Keywords: cytotoxicity, mesoporous silica, nanoparticles, platinum compounds

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1002 Modelling and Simulation of the Freezing Systems and Heat Pumps Using Unisim® Design

Authors: C. Patrascioiu

Abstract:

The paper describes the modeling and simulation of the heat pumps domain processes. The main objective of the study is the use of the heat pump in propene–propane distillation processes. The modeling and simulation instrument is the Unisim® Design simulator. The paper is structured in three parts: An overview of the compressing gases, the modeling and simulation of the freezing systems, and the modeling and simulation of the heat pumps. For each of these systems, there are presented the Unisim® Design simulation diagrams, the input–output system structure and the numerical results. Future studies will consider modeling and simulation of the propene–propane distillation process with heat pump.

Keywords: distillation, heat pump, simulation, unisim design

Procedia PDF Downloads 366