Search results for: ionic%20liquid
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 397

Search results for: ionic%20liquid

187 Formulation and Evaluation of Niosomes Containing an Antihypertensive Drug

Authors: Sunil Kamboj, Suman Bala, Vipin Saini

Abstract:

Niosomes were formulated with an aim of enhancing the oral bioavailability of losartan potassium and formulated in different molar ratios of surfactant, cholesterol and dicetyl phosphate. The formulated niosomes were found in range of 54.98 µm to 107.85 µm in size. Formulations with 1:1 ratio of surfactant and cholesterol have shown maximum entrapment efficiencies. Niosomes with sorbitan monostearate showed maximum drug release and zero order release kinetics, at the end of 24 hours. The in vivo study has shown the significant enhancement in oral bioavailability of losartan potassium in rats, after a dose of 10 mg/kg. The average relative bioavailability in relation with pure drug solution was found 2.56, indicates more than two fold increase in oral bioavailability. A significant increment in MRT reflects the release retarding ability of the vesicles. In conclusion, niosomes could be a promising delivery of losartan potassium with improved oral bioavailability and prolonged release profiles.

Keywords: non-ionic surfactant vesicles, losartan potassium, oral bioavailability, controlled release

Procedia PDF Downloads 320
186 A Radiofrequency Spectrophotometer Device to Detect Liquids in Gastroesophageal Ways

Authors: R. Gadea, J. M. Monzó, F. J. Puertas, M. Castro, A. Tebar, P. J. Fito, R. J. Colom

Abstract:

There exists a wide array of ailments impacting the structural soundness of the esophageal walls, predominantly linked to digestive issues. Presently, the techniques employed for identifying esophageal tract complications are excessively invasive and discomforting, subjecting patients to prolonged discomfort in order to achieve an accurate diagnosis. This study proposes the creation of a sensor with profound measuring capabilities designed to detect fluids coursing through the esophageal tract. The multi-sensor detection system relies on radiofrequency photospectrometry. During experimentation, individuals representing diverse demographics in terms of gender and age were utilized, positioning the sensors amidst the trachea and diaphragm and assessing measurements in vacuum conditions, water, orange juice, and saline solutions. The findings garnered enabled the identification of various liquid mediums within the esophagus, segregating them based on their ionic composition.

Keywords: radiofrequency spectrophotometry, medical device, gastroesophageal disease, photonics

Procedia PDF Downloads 46
185 Removal of an Acid Dye from Water Using Cloud Point Extraction and Investigation of Surfactant Regeneration by pH Control

Authors: Ghouas Halima, Haddou Boumedienne, Jean Peal Cancelier, Cristophe Gourdon, Ssaka Collines

Abstract:

This work concerns the coacervate extraction of industrial dye, namely BezanylGreen - F2B, from an aqueous solution by nonionic surfactant “Lutensol AO7 and TX-114” (readily biodegradable). Binary water/surfactant and pseudo-binary (in the presence of solute) phase diagrams were plotted. The extraction results as a function of wt.% of the surfactant and temperature are expressed by the following four quantities: percentage of solute extracted, E%, residual concentrations of solute and surfactant in the dilute phase (Xs,w, and Xt,w, respectively) and volume fraction of coacervate at equilibrium (Фc). For each parameter, whose values are determined by a design of experiments, these results are subjected to empirical smoothing in three dimensions. The aim of this study is to find out the best compromise between E% and Фc. E% increases with surfactant concentration and temperature in optimal conditions, and the extraction extent of TA reaches 98 and 96 % using TX-114 and Lutensol AO7, respectively. The effect of sodium sulfate or cetyltrimethylammonium bromide (CTAB) addition is also studied. Finally, the possibility of recycling the surfactant is proved.

Keywords: extraction, cloud point, non ionic surfactant, bezanyl green

Procedia PDF Downloads 94
184 Metal (Loids) Speciation Using HPLC-ICP-MS Technique in Klodnica River, Upper Silesia, Poland

Authors: Magdalena Jabłońska-Czapla

Abstract:

The work allowed gaining knowledge about redox and speciation changes of As, Cr, and Sb ionic forms in Klodnica River water. This kind of studies never has been conducted in this region of Poland. In study optimized and validated previously HPLC-ICP-MS methods for determination of As, Sb and Cr was used. Separation step was done using high-performance liquid chromatograph equipped with ion-exchange column followed by ICP-MS spectrometer detector. Preliminary studies included determination of the total concentration of As, Sb and Cr, pH, Eh, temperature and conductivity of the water samples. The study was conducted monthly from March to August 2014, at six points on the Klodnica River. The results indicate that exceeded at acceptable concentration of total Cr and Sb was observed in Klodnica River and we should qualify Klodnica River waters below the second purity class. In Klodnica River waters dominates oxidized antimony and arsenic forms, as well as the two forms of chromium Cr(VI) and Cr(III). Studies have also shown the methyl derivative of arsenic's presence.

Keywords: antimony, arsenic, chromium, HPLC-ICP-MS, river water, speciation

Procedia PDF Downloads 391
183 Hydrogen Permeability of BSCY Proton-Conducting Perovskite Membrane

Authors: M. Heidari, A. Safekordi, A. Zamaniyan, E. Ganji Babakhani, M. Amanipour

Abstract:

Perovskite-type membrane Ba0.5Sr0.5Ce0.9Y0.1O3-δ (BSCY) was successfully synthesized by liquid citrate method. The hydrogen permeation and stability of BSCY perovskite-type membranes were studied at high temperatures. The phase structure of the powder was characterized by X-ray diffraction (XRD). Scanning electron microscopy (SEM) was used to characterize microstructures of the membrane sintered under various conditions. SEM results showed that increasing in sintering temperature, formed dense membrane with clear grains. XRD results for BSCY membrane that sintered in 1150 °C indicated single phase perovskite structure with orthorhombic configuration, and SEM results showed dense structure with clear grain size which is suitable for permeation tests. Partial substitution of Sr with Ba in SCY structure improved the hydrogen permeation flux through the membrane due to the larger ionic radius of Ba2+. BSCY membrane shows high hydrogen permeation flux of 1.6 ml/min.cm2 at 900 °C and partial pressure of 0.6.

Keywords: hydrogen separation, perovskite, proton conducting membrane.

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182 Study of Intermolecular Interactions in Binary Mixtures of 1-Butyl-3-Methyl Imidazolium Bis (Trifluoro Methyl Sulfonyl) Imide and 1-Ethyl-3-Methyl Imidazolium Ethyl Sulphate at Different Temperature from 293.18 to 342.15 K

Authors: V. Lokesh, M. Manjunathan, S. Sairam, K. Saithsh Kumar, R. Anantharaj

Abstract:

The densities of pure and its binary mixtures of 1-Butyl-3-methyl imidazolium bis (trifluoro methyl sulfonyl) imide and 1–Ethyl-3-methyl imidazolium ethyl sulphate at different temperature, over the entire composition range were measured at 293.15, 298.15, 303.15, 308.15, 313.15, 318.15, 323.15, 328.15, 33.15, 338.15, 343.15 K. In this study, the liquid-liquid extraction procedure was used. From this experimental data, the excess molar volumes, apparent molar volume, partial molar volumes and the excess partial molar volumes have been calculated for over the whole composition range. Hence, the effect of temperature and composition on all derived thermodynamic properties of this binary mixture will be discussed in terms of intermolecular interactions.

Keywords: ionic liquid, interaction energy, effect of temperature, effect of composition

Procedia PDF Downloads 147
181 Photoluminescence Properties of Lu1.98Er0.02Ti2O7 Pyrochlore (A2B2O7) Phosphor

Authors: Esra Öztürk, Erkul Karacaoglu

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Pyrochlores, having compounds of the general formula, A2B2O7 (A and B are metals/rare earths) are important class of materials thanks to having technological applications like in luminescence, ionic conductivity, nuclear waste immobilization etc. The rare earths included pyrochlore compounds have also potential photoluminescence characteristics. In this context, Er3+-activated Lu2Ti2O7 pyrochlore was chosen and synthesized through a high-temperature solid-state reaction route that was sintered under the open atmosphere in this study. The optimal reaction conditions to obtain expected single phase system, the thermal analysis (DTA/TG) were carried out. The X-ray powder diffraction (XRD) was used to determine phase properties of the sample. The photoluminescence (PL) results were done to obtain excitation, emission and decay time properties by a PL spectrometer under room temperature. According to the PL, there are excitation bands at 352 nm, 388 nm, 423 nm and 453 nm that are due to 4I15/2 → 2G7/2, 4I15/2 → 4G11/2 and 4I15/2 → 4F5/2 transitions of Er3+ ions, respectively. The emission bands are placed at 582 nm, 677 nm and 762 nm that are associated with 2H11/2, 4S3/2 → 4I15/2, 4F9/2 → 4I15/2, 4I9/2 → 4I15/2 transitions of Er3+ ions, respectively.

Keywords: Er3+, Lu2Ti2O7, photoluminescence, pyrochlore, rare-earths

Procedia PDF Downloads 245
180 Origin of Hydrogen Bonding: Natural Bond Orbital Electron Donor-Acceptor Interactions

Authors: Mohamed Ayoub

Abstract:

We perform computational investigation using density functional theory, B3LYP with aug-cc-pVTZ basis set followed by natural bond orbital analysis (NBO), which provides best single “natural Lewis structure” (NLS) representation of chosen wavefunction (Ψ) with natural resonance theory (NRT) to provide an analysis of molecular electron density in terms of resonance structures (RS) and weights (w). We selected for the study a wide range of gas phase dimers (B…HA), with hydrogen bond dissociation energies (ΔEB…H) that span more than two orders of magnitude. We demonstrate that charge transfer from a donor Lewis-type NBO (nB:) to an acceptor non-Lewis-type NBO (σHA*) is the primary cause for H-bonding not classical electrostatic (dipole-dipole or ionic). We provide a variety of structure, and spectroscopic descriptors to support the conclusion, such as IR frequency shift (ΔνHA), H-bond penetration distance (ΔRB..H), bond order (bB..H), charge-transfer (CTB→HA) and the corresponding donor-acceptor stabilization energy (ΔE(2)).

Keywords: natural bond orbital, hydrogen bonding, electron donor, electron acceptor

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179 Structural and Ion Exchange Studies of Terpolymer Resin Derived from 4, 4'-Biphenol-4,4'-Oxydianiline-Formaldehyde

Authors: Pawan P. Kalbende, Anil B. Zade

Abstract:

A novel terpolymer resin has been synthesized by condensation polymerization reaction of 4,4’-biphenol and 4,4’-oxydianiline with formaldehyde in presence of 2M hydrochloric acid as catalyst. Composition of resin was determined on the basis of their elemental analysis and further characterized by UV-Visible, infra-red and nuclear magnetic resonance spectroscopy to confine the most probable structure of synthesized terpolymer. Newly synthesized terpolymer was proved to be a selective chelating ion-exchanger for certain metal ions and were studied for Fe3+, Cu2+, Ni2+, Co2+, Zn2+, Cd2+, Hg2+ and Pb2+ ions using their metal nitrate solutions. A batch equilibrium method was employed to study the selectivity of metal ions uptake involving the measurements of the distribution of a given metal ion between the terpolymer sample and a solution containing the metal ion. The study was carried out over a wide pH range, shaking time and in media of different electrolytes at different ionic strengths. Distribution ratios of metal ions were found to be increased by rising pH of the solutions. Hence, it can be used to recover certain metal ions from waste water for the purpose of purification of water and removal of iron from boiler water.

Keywords: terpolymers, ion-exchangers, distribution ratio, metal ion uptake

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178 Study of Ground Level Electric Field under 800 kV HVDC Unipolar Laboratory level Transmission line

Authors: K. Urukundu, K. A. Aravind, Pradeep M. Nirgude, K. Sandhya

Abstract:

Transmission of bulk power over a long distance through HVDC transmission lines is gaining importance. This is because the transfer of bulk power through HVDC, from generating stations to load centers over long distances is more economical. However, these HVDC transmission lines create environmental and interference effects under the right of way of the line due to the ionization of the surrounding atmosphere in the vicinity of HVDC lines. The measurement of ground-level electric field and ionic current density is essential for the evaluation of human effects due to electromagnetic interference of the HVDC transmission line. In this paper, experimental laboratory results of the ground-level electric field under the miniature model of 800 kV monopole HVDC line of length 8 meters are presented in lateral configuration with different heights of the conductor from the ground plane. The results are compared with the simulated test results obtained through Finite Element based software.

Keywords: bundle, conductor, hexagonal, transmission line, ground-level electric field

Procedia PDF Downloads 167
177 Anharmonic Behavior in BaTiO3: Investigation by Raman Spectroscopy

Authors: M. D. Fontana, I. Bejaoui Ouni, D. Chapron, H. Aroui

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BaTiO3 (BT) is a well known ferroelectric material which has been thoroughly studied during several decades since it undergoes successive cubic-tetragonal-orthorhombic-rhombohedral phase transitions on cooling. It has several ferroelectric properties that allow it to be a good material for electronic applications such as the design of ferroelectric memories and pyroelectric elements. In the present work, we report the analysis of temperature dependence of Raman frequency and damping of the A1 modes polarized along the FE c axis as well as the optical phonons E corresponding to the ionic motions in the plane normal to c. Measurements were carried out at different temperatures ranging from 298 to 408 K (tetragonal phase) within different scattering configurations. Spectroscopic parameters of BT have determined using a high resolution Raman spectrometer and a fitting program. All the first order frequency modes exhibit a quasi linear decrease as function of the temperature, except for the A1[TO1], E[TO2] and E[TO4] lines which reveal a parabolic dependence illustrating an anharmonic process. The phonon frequency downshifts and damping evolutions are interpreted in terms of normal volume expansion and third- and fourth-order anharmonic potentials.

Keywords: BaTiO3, Raman spectroscopy, frequency, damping, anharmonic potential

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176 Aging Time Effect of 58s Microstructure

Authors: Nattawipa Pakasri

Abstract:

58S (60SiO2-36CaO-4P2O5), three-dimensionally ordered macroporous bioactive glasses (3DOM-BGs) were synthesized by the sol-gel method using dual templating methods. non-ionic surfactant Brij56 used as templates component produced mesoporous and the spherical PMMA colloidal crystals as one template component yielded either three-dimensionally ordered microporous products or shaped bioactive glass nanoparticles. The bioactive glass with aging step for 12 h at room temperature, no structure transformation occurred and the 3DOM structure was produced (Figure a) due to no shrinkage process between the aging step. After 48 h time of o 3DOM structure remained and, nanocube with ∼120 nm edge lengths and nanosphere particle with ∼50 nm was obtained (Figure c, d). PMMA packing templates have octahedral and tetrahedral holes to make 2 final shapes of 3DOM-BGs which is rounded and cubic, respectively. The ageing time change from 12h, 24h and 48h affected to the thickness of interconnecting macropores network. The wall thickness was gradually decrease after increase aging time.

Keywords: three-dimensionally ordered macroporous bioactive glasses, sol-gel method, PMMA, bioactive glass

Procedia PDF Downloads 85
175 Collision Induced Dissociation of Transition Metal Fluoride Complexes and the Multiply Charged Anions

Authors: Ruqia Nazir, Robin Perutz

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Collision-induced dissociation (CID) can be used to study the intrinsic properties of ions in the gas phase.1 Decay pathways of transition metal difluoride complexes of titanium, zirconium, hafnium, and ruthenium were studied by CID in an ESI-Ion trap mass spectrometer. Furthermore, the decay pathways of multiply charged anions (MCAs) of titanium and zirconium were also studied. The CID results are illustrated by the behaviour of (Cp*)₂TiF₂, which initially forms the ions [M-F-]⁺, [M+Na]⁺, and [M+K]⁺. The [(Cp*₂)TiF⁺ ion decays on resonant excitation to lose HF forming [Cp*(C₅Me₄CH₂)Ti]⁺ (Figure). The other major ion, [(Cp*)₂TiF₂+Na]⁺, decays on resonant excitation with production of [(Cp*)₂TiF₂]⁺ and [C₅Me₄CH₂]⁺. We also report the behaviour of Cp₂MF₂ (M = Zr, Hf) and Ru(PMe₃)₄F₂. The decay pathway of the multiply charged anions (MCAs), notably TiF₆²⁻ and ZrF₆²⁻ was concluded to be ionic fragmentation with loss of F⁻ rather than electron detachment.

Keywords: collision induced dissociation, transition metal difluoride comolexes, multiply charged anions, mass spectrometry

Procedia PDF Downloads 75
174 Influence of [Emim][OAc] and Water on Gelatinization Process and Interactions with Starch

Authors: Shajaratuldur Ismail, Nurlidia Mansor, Zakaria Man

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Thermoplastic starch (TPS) plasticized by 1-ethyl-3-methylimidazolium acetate [Emim][OAc] were obtained through gelatinization process. The gelatinization process occurred in the presence of water and [Emim][OAc] as plasticizer at high temperature (90˚C). The influence of [Emim][OAc] and water on the gelatinization and interactions with starch have been studied over a range of compositions. The homogenous mass was obtained for the samples containing 35, 40 and 43.5 % of water contents which showed that water plays important role in gelatinization process. Detailed IR spectroscopy analysis showed decrease in hydrogen bonding intensity and strong interaction between acetate anion in [Emim][OAc] and starch hydroxyl groups in the presence of [Emim][OAc]. Starch-[Emim][OAc]-water mixture at 10-3-8.7 presented homogenous mass, less hydrogen bonding intensity and strong interaction between acetate anion in [Emim][OAc] and starch hydroxyl groups.

Keywords: starch, ionic liquid, 1-ethyl-3-methylimidazolium acetate, plasticizer, gelatinization, IR spectroscopy

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173 Investigate the Effects of Anionic Surfactant on THF Hydrate

Authors: Salah A. Al-Garyani, Yousef Swesi

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Gas hydrates can be hazardous to upstream operations. On the other hand, the high gas storage capacity of hydrate may be utilized for natural gas storage and transport. Research on the promotion of hydrate formation, as related to natural gas storage and transport, has received relatively little attention. The primary objective of this study is to gain a better understanding of the effects of ionic surfactants, particularly their molecular structures and concentration, on the formation of tetrahydrofuran (THF) hydrate, which is often used as a model hydrate former for screening hydrate promoters or inhibitors. The surfactants studied were sodium n-dodecyl sulfate (SDS), sodium n-hexadecyl sulfate (SHS). Our results show that, at concentrations below the solubility limit, the induction time decreases with increasing surfactant concentration. At concentrations near or above the solubility, however, the surfactant concentration no longer has any effect on the induction time. These observations suggest that the effect of surfactant on THF hydrate formation is associated with surfactant monomers, not the formation of micelle as previously reported. The lowest induction time (141.25 ± 21 s, n = 4) was observed in a solution containing 7.5 mM SDS. The induction time decreases by a factor of three at concentrations near or above the solubility, compared to that without surfactant.

Keywords: tetrahydrofuran, hydrate, surfactant, induction time, monomers, micelle

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172 Optimization of Adsorption Performance of Lignocellulosic Waste Pretreatment and Chemical Modification

Authors: Bendjelloul Meriem, Elandaloussi El Hadj

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In this work, we studied the effectiveness of a lignocellulosic waste (wood sawdust) for the removal of cadmium Cd (II) in aqueous solution. The adsorbent material SBO-CH2-CO2Na has been prepared by alkaline pretreatment of wood sawdust followed by a chemical modification with sodium salt of chloroacetic acid. The characterization of the as-prepared material by FTIR has proven that the grafting of acetate spacer took actually place in the lignocellulosic backbone by the appearance of characteristic band of carboxylic groups in the IR spectrum. The removal study of Cd2+ by SBO-CH2-CO2Na material at the solid-liquid interface was carried out by kinetics, sorption isotherms, effect of temperature and thermodynamic parameters were evaluated. The last part of this work was dedicated to assess the regenerability of the adsorbent material after three reuse cycles. The results indicate that SBO-CH2-CO2Na matrix possesses a high effectiveness in removing Cd (II) with an adsorption capacity of 222.22 mg/g, yet a better value that those of many low-cost adsorbents so far reported in the literature. The results found in the course of this study suggest that ionic exchange is the most appropriate mechanism involved in the removal of cadmium ions.

Keywords: adsorption, cadmium, isotherms, lignocellulosic, regenerability

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171 Structural Fluxionality of Luminescent Coordination Compounds with Lanthanide Ions

Authors: Juliana A. B. Silva, Caio H. T. L. Albuquerque, Leonardo L. dos Santos, Cristiane K. Oliveira, Ivani Malvestiti, Fernando Hallwass, Ricardo L. Longo

Abstract:

Complexes with lanthanide ions have been extensively studied due to their applications as luminescent, magnetic and catalytic materials as molecular or extended crystals, thin films, glasses, polymeric matrices, ionic liquids, and in solution. NMR chemical shift data in solution have been reported and suggest fluxional structures in a wide range of coordination compounds with rare earth ions. However, the fluxional mechanisms for these compounds are still not established. This structural fluxionality may affect the photophysical, catalytic and magnetic properties in solution. Thus, understanding the structural interconversion mechanisms may aid the design of coordination compounds with, for instance, improved (electro)luminescence, catalytic and magnetic behaviors. The [Eu(btfa)₃bipy] complex, where btfa= 4,4,4-trifluoro-1-phenyl-1,3-butanedionate and bipy= 2,2’-bipiridyl, has a well-defined X-ray crystallographic structure and preliminary 1H NMR data suggested a structural fluxionality. Thus, we have investigated a series of coordination compounds with lanthanide ions [Ln(btfa)₃L], where Ln = La, Eu, Gd or Yb and L= bipy or phen (phen=1,10-phenanthroline) using a combined theoretical-experimental approach. These complexes were synthesized and fully characterized, and detailed NMR measurements were obtained. They were also studied by quantum chemical computational methods (DFT-PBE0). The aim was to determine the relevant factors in the structure of these compounds that favor or not the fluxional behavior. Measurements of the 1H NMR signals at variable temperature in CD₂Cl₂ of the [Eu(btfa)₃L] complexes suggest that these compounds have a fluxional structure, because the crystal structure has non-equivalent btfa ligands that should lead to non-equivalent hydrogen atoms and thus to more signals in the NMR spectra than those obtained at room temperature, where all hydrogen atoms of the btfa ligands are equivalent, and phen ligand has an effective vertical symmetry plane. For the [Eu(btfa)₃bipy] complex, the broadening of the signals at –70°C provides a lower bound for the coalescence temperature, which indicates the energy barriers involved in the structural interconversion mechanisms are quite small. These barriers and, consequently, the coalescence temperature are dependent upon the radii of the lanthanide ion as well as to their paramagnetic effects. The PBE0 calculated structures are in very good agreement with the crystallographic data and, for the [Eu(btfa)₃bipy] complex, this method provided several distinct structures with almost the same energy. However, the energy barrier for structural interconversion via dissociative pathways were found to be quite high and could not explain the experimental observations. Whereas the pseudo-rotation pathways, involving the btfa and bipy ligands, have very small activation barriers, in excellent agreement with the NMR data. The results also showed an increase in the activation barrier along the lanthanide series due to the decrease of the ionic radii and consequent increase of the steric effects. TD-DFT calculations showed a dependence of the ligand donor state energy with different structures of the complex [Eu(btfa)₃phen], which can affect the energy transfer rates and the luminescence. The energy required to promote the structural fluxionality may also enhance the luminescence quenching in solution. These results can aid in the design of more luminescent compounds and more efficient devices.

Keywords: computational chemistry, lanthanide-based compounds, NMR, structural fluxionality

Procedia PDF Downloads 173
170 3D Structuring of Thin Film Solid State Batteries for High Power Demanding Applications

Authors: Alfonso Sepulveda, Brecht Put, Nouha Labyedh, Philippe M. Vereecken

Abstract:

High energy and power density are the main requirements of today’s high demanding applications in consumer electronics. Lithium ion batteries (LIB) have the highest energy density of all known systems and are thus the best choice for rechargeable micro-batteries. Liquid electrolyte LIBs present limitations in safety, size and design, thus thin film all-solid state batteries are predominantly considered to overcome these restrictions in small devices. Although planar all-solid state thin film LIBs are at present commercially available they have low capacity (<1mAh/cm2) which limits their application scenario. By using micro-or nanostructured surfaces (i.e. 3D batteries) and appropriate conformal coating technology (i.e. electrochemical deposition, ALD) the capacity can be increased while still keeping a high rate performance. The main challenges in the introduction of solid-state LIBs are low ionic conductance and limited cycle life time due to mechanical stress and shearing interfaces. Novel materials and innovative nanostructures have to be explored in order to overcome these limitations. Thin film 3D compatible materials need to provide with the necessary requirements for functional and viable thin-film stacks. Thin film electrodes offer shorter Li-diffusion paths and high gravimetric and volumetric energy densities which allow them to be used at ultra-fast charging rates while keeping their complete capacities. Thin film electrolytes with intrinsically high ion conductivity (~10-3 S.cm) do exist, but are not electrochemically stable. On the other hand, electronically insulating electrolytes with a large electrochemical window and good chemical stability are known, but typically have intrinsically low ionic conductivities (<10-6 S cm). In addition, there is the need for conformal deposition techniques which can offer pinhole-free coverage over large surface areas with large aspect ratio features for electrode, electrolyte and buffer layers. To tackle the scaling of electrodes and the conformal deposition requirements on future 3D batteries we study LiMn2O4 (LMO) and Li4Ti5O12 (LTO). These materials are among the most interesting electrode candidates for thin film batteries offering low cost, low toxicity, high voltage and high capacity. LMO and LTO are considered 3D compatible materials since they can be prepared through conformal deposition techniques. Here, we show the scaling effects on rate performance and cycle stability of thin film cathode layers of LMO created by RF-sputtering. Planar LMO thin films below 100 nm have been electrochemically characterized. The thinnest films show the highest volumetric capacity and the best cycling stability. The increased stability of the films below 50 nm allows cycling in both the 4 and 3V potential region, resulting in a high volumetric capacity of 1.2Ah/cm3. Also, the creation of LTO anode layers through a post-lithiation process of TiO2 is demonstrated here. Planar LTO thin films below 100 nm have been electrochemically characterized. A 70 nm film retains 85% of its original capacity after 100 (dis)charging cycles at 10C. These layers can be implemented into a high aspect ratio structures. IMEC develops high aspect Si pillars arrays which is the base for the advance of 3D thin film all-solid state batteries of future technologies.

Keywords: Li-ion rechargeable batteries, thin film, nanostructures, rate performance, 3D batteries, all-solid state

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169 Rapid Detection of Melamine in Milk Products Based on Modified Gold Electrode

Authors: Rovina Kobun, Shafiquzzaman Siddiquee

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A novel and simple electrochemical sensor for the determination of melamine was developed based on modified gold electrode (AuE) with chitosan (CHIT) nanocomposite membrane, zinc oxide nanoparticles (ZnONPs) and ionic liquids ([EMIM][Otf]) to enhance the potential current response of melamine. Cyclic voltammetry and differential pulse voltammetry were used to investigate the electrochemical behaviour between melamine and modified AuE in the presence of methylene blue as a redox indicator. The experimental results indicated that the interaction of melamine with CHIT/ZnONPs/([EMIM][Otf])/AuE were based on the strong interaction of hydrogen bonds. The morphological characterization of modified AuE was observed under scanning electron microscope. Under optimal conditions, the current signal was directly proportional to the melamine concentration ranging from 9.6 x 10-5 to 9.6 x 10-11 M, with a correlation coefficient of 0.9656. The detection limit was 9.6 x 10-12 M. Finally, the proposed method was successfully applied and displayed an excellent sensitivity in the determination of melamine in milk samples.

Keywords: melamine, gold electrode, zinc oxide nanoparticles, cyclic voltammetries, differential pulse voltammetries

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168 Preconcentration and Determination of Cyproheptadine in Biological Samples by Hollow Fiber Liquid Phase Microextraction Coupled with High Performance Liquid Chromatography

Authors: Sh. Najari Moghadam, M. Qomi, F. Raofie, J. Khadiv

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In this study, a liquid phase microextraction by hollow fiber (HF-LPME) combined with high performance liquid chromatography-UV detector was applied to preconcentrate and determine trace levels of Cyproheptadine in human urine and plasma samples. Cyproheptadine was extracted from 10 mL alkaline aqueous solution (pH: 9.81) into an organic solvent (n-octnol) which was immobilized in the wall pores of a hollow fiber. Then, it was back-extracted into an acidified aqueous solution (pH: 2.59) located inside the lumen of the hollow fiber. This method is simple, efficient and cost-effective. It is based on pH gradient and differences between two aqueous phases. In order to optimize the HF-LPME, some affecting parameters including the pH of donor and acceptor phases, the type of organic solvent, ionic strength, stirring rate, extraction time and temperature were studied and optimized. Under optimal conditions enrichment factor, limit of detection (LOD) and relative standard deviation (RSD(%), n=3) were up to 112, 15 μg.L−1 and 2.7, respectively.

Keywords: biological samples, cyproheptadine, hollow fiber, liquid phase microextraction

Procedia PDF Downloads 256
167 Numerical Analysis of Laminar Flow around Square Cylinders with EHD Phenomenon

Authors: M. Salmanpour, O. Nourani Zonouz

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In this research, a numerical simulation of an Electrohydrodynamic (EHD) actuator’s effects on the flow around a square cylinder by using a finite volume method has been investigated. This is one of the newest ways for controlling the fluid flows. Two plate electrodes are flush-mounted on the surface of the cylinder and one wire electrode is placed on the line with zero angle of attack relative to the stagnation point and excited with DC power supply. The discharge produces an electric force and changes the local momentum behaviors in the fluid layers. For this purpose, after selecting proper domain and boundary conditions, the electric field relating to the problem has been analyzed and then the results in the form of electrical body force have been entered in the governing equations of fluid field (Navier-Stokes equations). The effect of ionic wind resulted from the Electrohydrodynamic actuator, on the velocity, pressure and the wake behind cylinder has been considered. According to the results, it is observed that the fluid flow accelerates in the nearest wall of the frontal half of the cylinder and the pressure difference between frontal and hinder cylinder is increased.

Keywords: CFD, corona discharge, electro hydrodynamics, flow around square cylinders, simulation

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166 Study of the Transport of Multivalent Metal Cations Through Cation-Exchange Membranes by Electrochemical Impedance Spectroscopy

Authors: V. Pérez-Herranz, M. Pinel, E. M. Ortega, M. García-Gabaldón

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In the present work, Electrochemical Impedance Spectrocopy (EIS) is applied to study the transport of different metal cations through a cation-exchange membrane. This technique enables the identification of the ionic-transport characteristics and to distinguish between different transport mechanisms occurring at different current density ranges. The impedance spectra are dependent on the applied dc current density, on the type of cation and on the concentration. When the applied dc current density increases, the diameter of the impedance spectra loops increases because all the components of membrane system resistance increase. The diameter of the impedance plots decreases in the order of Na(I), Ni(II) and Cr(III) due to the increased interactions between the negatively charged sulfonic groups of the membrane and the cations with greater charge. Nyquist plots are shifted towards lower values of the real impedance, and its diameter decreases with the increase of concentration due to the decrease of the solution resistance.

Keywords: ion-exchange membranes, Electrochemical Impedance Spectrocopy, multivalent metal cations, membrane system

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165 Alcoxysilanes Production from Silica and Dimethylcarbonate Promoted by Alkali Bases: A DFT Investigation of the Reaction Mechanism

Authors: Valeria Butera, Norihisa Fukaya, Jun-Chu Choi, Kazuhiko Sato, Yoong-Kee Choe

Abstract:

Several silicon dioxide sources can react with dimethyl carbonate (DMC) in presence of alkali bases catalysts to ultimately produce tetramethoxysilane (TMOS). Experimental findings suggested that the reaction proceeds through several steps in which the first molecule of DMC is converted to dimethylsilyloxide (DMOS) and CO₂. Following the same mechanistic steps, a second molecule of DMC reacts with the DMOS to afford the final product TMOS. Using a cluster model approach, a quantum-mechanical investigation of the first part of the reaction leading to DMOS formation is reported with a twofold purpose: (1) verify the viability of the reaction mechanism proposed on the basis of experimental evidences .(2) compare the behaviors of three different alkali hydroxides MOH, where M=Li, K and Cs, to determine whether diverse ionic radius and charge density can be considered responsible for the observed differences in reactivity. Our findings confirm the observed experimental trend and furnish important information about the effective role of the alkali hydroxides giving an explanation of the different catalytic activity of the three metal cations.

Keywords: Alcoxysilanes production, cluster model approach, DFT, DMC conversion

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164 Dimensionally Stable Anode as a Bipolar Plate for Vanadium Redox Flow Battery

Authors: Jaejin Han, Jinsub Choi

Abstract:

Vanadium redox flow battery (VRFB) is a type of redox flow battery which uses vanadium ionic solution as electrolyte. Inside the VRFB, 2.5mm thickness of graphite is generally used as bipolar plate for anti-corrosion of current collector. In this research, thick graphite bipolar plate was substituted by 0.126mm thickness of dimensionally stable anode which was coated with IrO2 on an anodic nanotubular TiO2 substrate. It can provide dimensional advantage over the conventional graphite when the VRFB is used as multi-stack. Ir was coated by using spray coating method in order to enhance electric conductivity. In this study, various electrochemical characterizations were carried out. Cyclic voltammetry data showed activation of Ir in the positive electrode of VRFB. In addition, polarization measurements showed Ir-coated DSA had low overpotential in the positive electrode of VRFB. In cell test results, the DSA-used VRFB showed better efficiency than graphite-used VRFB in voltage and overall efficiency.

Keywords: bipolar plate, DSA (dimensionally stable anode), iridium oxide coating, TiO2 nanotubes, VRFB (vanadium redox flow battery)

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163 Impact of Marangoni Stress and Mobile Surface Charge on Electrokinetics of Ionic Liquids Over Hydrophobic Surfaces

Authors: Somnath Bhattacharyya

Abstract:

The mobile adsorbed surface charge on hydrophobic surfaces can modify the velocity slip condition as well as create a Marangoni stress at the interface. The functionalized hydrophobic walls of micro/nanopores, e.g., graphene nanochannels, may possess physio-sorbed ions. The lateral mobility of the physisorbed absorbed ions creates a friction force as well as an electric force, leading to a modification in the velocity slip condition at the hydrophobic surface. In addition, the non-uniform distribution of these surface ions creates a surface tension gradient, leading to a Marangoni stress. The impact of the mobile surface charge on streaming potential and electrochemical energy conversion efficiency in a pressure-driven flow of ionized liquid through the nanopore is addressed. Also, enhanced electro-osmotic flow through the hydrophobic nanochannel is also analyzed. The mean-filed electrokinetic model is modified to take into account the short-range non-electrostatic steric interactions and the long-range Coulomb correlations. The steric interaction is modeled by considering the ions as charged hard spheres of finite radius suspended in the electrolyte medium. The electrochemical potential is modified by including the volume exclusion effect, which is modeled based on the BMCSL equation of state. The electrostatic correlation is accounted for in the ionic self-energy. The extremal of the self-energy leads to a fourth-order Poisson equation for the electric field. The ion transport is governed by the modified Nernst-Planck equation, which includes the ion steric interactions; born force arises due to the spatial variation of the dielectric permittivity and the dielectrophoretic force on the hydrated ions. This ion transport equation is coupled with the Navier-Stokes equation describing the flow of the ionized fluid and the 3fourth-order Poisson equation for the electric field. We numerically solve the coupled set of nonlinear governing equations along with the prescribed boundary conditions by adopting a control volume approach over a staggered grid arrangement. In the staggered grid arrangements, velocity components are stored on the midpoint of the cell faces to which they are normal, whereas the remaining scalar variables are stored at the center of each cell. The convection and electromigration terms are discretized at each interface of the control volumes using the total variation diminishing (TVD) approach to capture the strong convection resulting from the highly enhanced fluid flow due to the modified model. In order to link pressure to the continuity equation, we adopt a pressure correction-based iterative SIMPLE (Semi-Implicit Method for Pressure-Linked Equations) algorithm, in which the discretized continuity equation is converted to a Poisson equation involving pressure correction terms. Our results show that the physisorbed ions on a hydrophobic surface create an enhanced slip velocity when streaming potential, which enhances the convection current. However, the electroosmotic flow attenuates due to the mobile surface ions.

Keywords: microfluidics, electroosmosis, streaming potential, electrostatic correlation, finite sized ions

Procedia PDF Downloads 41
162 Determination and Qsar Modelling of Partitioning Coefficients for Some Xenobiotics in Soils and Sediments

Authors: Alaa El-Din Rezk

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For organic xenobiotics, sorption to Aldrich humic acid is a key process controlling their mobility, bioavailability, toxicity and fate in the soil. Hydrophobic organic compounds possessing either acid or basic groups can be partially ionized (deprotonated or protonated) within the range of natural soil pH. For neutral and ionogenicxenobiotics including (neutral, acids and bases) sorption coefficients normalized to organic carbon content, Koc, have measured at different pH values. To this end, the batch equilibrium technique has been used, employing SPME combined with GC-MSD as an analytical tool. For most ionogenic compounds, sorption has been affected by both pH and pKa and can be explained through Henderson-Hasselbalch equation. The results demonstrate that when assessing the environmental fate of ionogenic compounds, their pKa and speciation under natural conditions should be taken into account. A new model has developed to predict the relationship between log Koc and pH with full statistical evaluation against other existing predictive models. Neutral solutes have displayed a good fit with the classical model using log Kow as log Koc predictor, whereas acidic and basic compounds have displayed a good fit with the LSER approach and the new proposed model. Measurement limitations of the Batch technique and SPME-GC-MSD have been found with ionic compounds.

Keywords: humic acid, log Koc, pH, pKa, SPME-GCMSD

Procedia PDF Downloads 240
161 Oxidation of Amitriptyline by Bromamine-T in Acidic Buffer Medium: A Kinetic and Mechanistic Approach

Authors: Chandrashekar, R. T. Radhika, B. M. Venkatesha, S. Ananda, Shivalingegowda, T. S. Shashikumar, H. Ramachandra

Abstract:

The kinetics of the oxidation of amitriptyline (AT) by sodium N-bromotoluene sulphonamide (C6H5SO2NBrNa) has been studied in an acidic buffer medium of pH 1.2 at 303 K. The oxidation reaction of AT was followed spectrophotometrically at maximum wavelength, 410 nm. The reaction rate shows a first order dependence each on concentration of AT and concentration of sodium N-bromotoluene sulphonamide. The reaction also shows an inverse fractional order dependence at low or high concentration of HCl. The dielectric constant of the solvent shows negative effect on the rate of reaction. The addition of halide ions and the reduction product of BAT have no significant effect on the rate. The rate is unchanged with the variation in the ionic strength (NaClO4) of the medium. Addition of reaction mixtures to be aqueous acrylamide solution did not initiate polymerization, indicating the absence of free radical species. The stoichiometry of the reaction was found to be 1:1 and oxidation product of AT is identified. The Michaelis-Menton type of kinetics has been proposed. The CH3C6H5SO2NHBr has been assumed to be the reactive oxidizing species. Thermodynamical parameters were computed by studying the reactions at different temperatures. A mechanism consistent with observed kinetics is presented.

Keywords: amitriptyline, bromamine-T, kinetics, oxidation

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160 Investigate and Control Thermal Spectra in Nanostructures and 2D Van der Waals Materials

Authors: Joon Sang Kang, Ming Ke, Yongjie Hu

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Controlling heat transfer and thermal properties of materials is important to many fields such as energy efficiency and thermal management of integrated circuits. Significant progress over the past decade has been made to improve material performance through structuring at the nanoscale, however a clear relationship between structure dimensions, interfaces, and thermal properties remains to be established. The main challenge comes from the unknown intrinsic spectral contribution from different phonons. Here, we describe our current progress on quantifying and controlling thermal spectra based on our recently developed technical approach using ultrafast optical spectroscopy. Our work brings further the promise of rational material design to achieve high performance through a synergistic experimental-modeling approach. This approach can be broadly applicable to a wide range of materials and energy systems. In particular, we demonstrate in-situ characterization and tunable thermal properties of 2D van der waals materials through ionic intercalations. The significant impacts of this research in improving the efficiency of thermal energy conversion and management will also be illustrated.

Keywords: energy, mean free path, nanoscale heat transfer, nanostructure, phonons, TDTR, thermoelectrics, 2D materials

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159 SnSₓ, Cu₂ZnSnS₄ Nanostructured Thin Layers for Thin-Film Solar Cells

Authors: Elena A. Outkina, Marina V. Meledina, Aliaksandr A. Khodin

Abstract:

Nanostructured thin films of SnSₓ, Cu₂ZnSnS₄ (CZTS) semiconductors were fabricated by chemical processing to produce thin-film photoactive layers for photocells as a prospective lowest-cost and environment-friendly alternative to Si, Cu(In, Ga)Se₂, and other traditional solar cells materials. To produce SnSₓ layers, the modified successive ionic layer adsorption and reaction (SILAR) technique were investigated, including successive cyclic dipping into Na₂S solution and SnCl₂, NaCl, triethanolamine solution. To fabricate CZTS layers, the cyclic dipping into CuSO₄ with ZnSO₄, SnCl₂, and Na₂S solutions was used with intermediate rinsing in distilled water. The nano-template aluminum/alumina substrate was used to control deposition processes. Micromorphology and optical characteristics of the fabricated layers have been investigated. Analysis of 2D-like layers deposition features using nano-template substrate is presented, including the effect of nanotips in a template on surface charge redistribution and transport.

Keywords: kesterite, nanotemplate, SILAR, solar cell, tin sulphide

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158 Modeling and Analysis the Effects of Temperature and Pressure on the Gas-Crossover in Polymer Electrolyte Membrane Electrolyzer

Authors: Abdul Hadi Bin Abdol Rahim, Alhassan Salami Tijani

Abstract:

Hydrogen produced by means of polymer electrolyte membrane electrolyzer (PEME) is one of the most promising methods due to clean and renewable energy source. In the process, some energy loss due to mass transfer through a PEM is caused by diffusion, electro-osmotic drag, and the pressure difference between the cathode channel and anode channel. In PEME water molecules and ionic particles transferred between the electrodes from anode to cathode, Extensive mixing of the hydrogen and oxygen at anode channel due to gases cross-over must be avoided. In recent times the consciousness of safety issue in high pressure PEME where the oxygen mix with hydrogen at anode channel could create, explosive conditions have generated a lot of concern. In this paper, the steady state and simulation analysis of gases crossover in PEME on the temperature and pressure effect are presented. The simulations have been analysis in MATLAB based on the well-known Fick’s Law of molecular diffusion. The simulation results indicated that as temperature increases, there is a significant decrease in operating voltage.

Keywords: diffusion, gases crosover, steady state, Fick’s law

Procedia PDF Downloads 311