Search results for: porous SiC
176 Removal of Lead Ions from Aqueous Medium Using Devised Column Filters Packed with Chitosan from Trash Crab Shells: A Characterization Study
Authors: Charles Klein O. Gorit, Mark Tristan J. Quimque Jr., M. Cecilia V. Almeda, Concepcion M. Salvana
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Chitosan is a promising biopolymer commonly found in crustacean shells that has plausible effects in water purification and wastewater treatment. It is a primary derivative of chitin and considered second of the most abundant biopolymer prior to cellulose. Morphological analysis had been done using Scanning Electron Microscopy with Energy Dispersive Microscopy (SEM/EDS), and due to its porous nature, it showcases a certain degree of porosity, hence, larger adsorption site of heavy metal. The Energy Dispersive Spectroscopy of the chitosan and ‘lead-bound’ chitosan, shows a relative increase of percent abundance of lead cation from 1.44% to 2.08% hence, adsorption occurs. Chitosan, as a nitrogenous polysaccharide, subjected to Fourier transform infrared spectroscopy (FTIR) analysis shows amide bands ranging from 1635.36 cm⁻¹ for amide 1 band and 1558.40 cm-1 for amide 2 band with NH stretching. For ‘lead-bound’ chitosan, the FT-IR analysis shows a change in peaks upon adsorption of Pb(II) cation. The spectrum shows broadening of OH and NH stretching band. Such observation can be attributed to the probability that the attachment of Pb(II) ions is in these functional groups. A column filter was devised with lead-bound chitosan to determine the zero point charge (pHzpc) of the biopolymer. The results show that at pH 8.34, below than the zpc level of literatures cited for lead which ranges from pH 4 to 7, favors the adsorption site of chitosan and its capability to adsorb traces amount of aqueous lead.Keywords: chitosan, biopolymer, FT-IR, SEM, zero-point charge, heavy metal, lead ions
Procedia PDF Downloads 151175 Towards Binder-Free and Self Supporting Flexible Supercapacitor from Carbon Nano-Onions and Their Composite with CuO Nanoparticles
Authors: Debananda Mohapatra, Subramanya Badrayyana, Smrutiranjan Parida
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Recognizing the upcoming era of carbon nanostructures and their revolutionary applications, we investigated the formation and supercapacitor application of highly pure and hydrophilic carbon nano-onions (CNOs) by economical one-step flame-synthesis procedure. The facile and scalable method uses easily available organic carbon source such as clarified butter, restricting the use of any catalyst, sophisticated instrumentation, high vacuum and post processing purification procedure. The active material was conformally coated onto a locally available cotton wipe by “sonicating and drying” process to obtain novel, lightweight, inexpensive, flexible, binder-free electrodes with strong adhesion between nanoparticles and porous wipe. This interesting electrode with CNO as the active material delivers a specific capacitance of 102.16 F/g, the energy density of 14.18 Wh/kg and power density of 2448 W/kg which are the highest values reported so far in symmetrical two electrode cell configuration with 1M Na2SO4 as an electrolyte. Incorporation of CuO nanoparticles to these functionalized CNOs by one-step hydrothermal method add up to a significant specific capacitance of 420 F/g with deliverable energy and power density at 58.33 Wh/kg and 4228 W/kg, respectively. The free standing CNOs, as well as CNO-CuO composite electrode, showed an excellent cyclic performance and stability retaining 95 and 90% initial capacitance even after 5000 charge-discharge cycles at a current density of 5 A/g. This work presents a new platform for high performance supercapacitors for next generation wearable electronic devices.Keywords: binder-free, flame synthesis, flexible, carbon nano-onion
Procedia PDF Downloads 197174 Biochar Affects Compressive Strength of Portland Cement Composites: A Meta-Analysis
Authors: Zhihao Zhao, Ali El-Nagger, Johnson Kau, Chris Olson, Douglas Tomlinson, Scott X. Chang
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One strategy to reduce CO₂ emissions from cement production is to reduce the amount of Portland cement produced by replacing it with supplementary cementitious materials (SCMs). Biochar is a potential SCM that is an eco-friendly and stable porous pyrolytic material. However, the effects of biochar addition on the performances of Portland cement composites are not fully understood. This meta-analysis investigated the impact of biochar addition on the 7- and 28-day compressive strength of Portland cement composites based on 606 paired observations. Biochar feedstock type, pyrolysis conditions, pre-treatments and modifications, biochar dosage, and curing type all influenced the compressive strength of Portland cement composites. Biochars obtained from plant-based feedstocks (except rice and hardwood) improved the 28-day compressive strength of Portland cement composites by 3-13%. Biochars produced at pyrolysis temperatures higher than 450 °C, with a heating rate of around 10 °C/min, increased the 28-day compressive strength more effectively. Furthermore, the addition of biochars with small particle sizes increased the compressive strength of Portland cement composites by 2-7% compared to those without biochar addition. Biochar dosage of < 2.5% of the binder weight enhanced both compressive strengths and common curing methods maintained the effect of biochar addition. However, when mixing the cement, adding fine and coarse aggregates such as sand and gravel affects the concrete and mortar's compressive strength, diminishing the effect of biochar addition and making the biochar effect nonsignificant. We conclude that appropriate biochar addition could maintain or enhance the mechanical performance of Portland cement composites, and future research should explore the mechanisms of biochar effects on the performance of cement composites.Keywords: biochar, Portland cement, constructure, compressive strength, meta-analysis
Procedia PDF Downloads 65173 Modified Silicates as Dissolved Oxygen Sensors in Water: Structural and Optical Properties
Authors: Andile Mkhohlakali, Tien-Chien Jen, James Tshilongo, Happy Mabowa
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Among different parameters, oxygen is one of the most important analytes of interest, dissolved oxygen (DO) concentration is very crucial and significant for various areas of physical, chemical, and environmental monitoring. Herein we report oxygen-sensitive luminophores -based lanthanum(III) trifluoromethanesulfonate), [La]³⁺ was encapsulated into SiO₂-based xerogel matrix. The nanosensor is composed of organically modified silica nanoparticles, doped with the luminescent oxygen–sensitive lanthanum(III) trifluoromethanesulfonate complex. The precursor materials used for sensing film were triethyl ethoxy silane (TEOS) and (3-Mercaptopropyltriethoxysilane) (MPTMS- TEOS) used for SiO2-baed matrices. Brunauer–Emmett–Teller (BET), and BJH indicate that the SiO₂ transformed from microporous to mesoporous upon the addition of La³⁺ luminophore with increased surface area (SBET). The typical amorphous SiO₂ based xerogels were revealed with X-Ray diffraction (XRD) and Selected Area Electron Diffraction (SAED) analysis. Scanning electron microscope- (SEM) and transmission electron microscope (TEM) showed the porous morphology and reduced particle for SiO₂ and La-SiO₂ xerogels respectively. The existence of elements, siloxane networks, and thermal stability of xerogel was confirmed by energy dispersive spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), and Thermographic analysis (TGA). UV-Vis spectroscopy and photoluminescence (PL) have been used to characterize the optical properties of xerogels. La-SiO₂ demonstrates promising characteristic features of an active sensing film for dissolved oxygen in the water. Keywords: Sol-gel, ORMOSILs, encapsulation, Luminophores quenching, O₂-sensingKeywords: sol-gel, ORMOSILs, luminophores quenching, O₂-sensing
Procedia PDF Downloads 122172 Determination of the Water Needs of Some Crops Irrigated with Treated Water from the Sidi Khouiled Wastewater Treatment Plant in Ouargla, Algeria
Authors: Dalila Oulhaci, Mehdi Benlarbi, Mohammed Zahaf
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The irrigation method is fundamental for maintaining a wet bulb around the roots of the crop. This is the case with localized irrigation, where soil moisture can be maintained permanently around the root system between the two water content extremes. Also, one of the oldest methods used since Roman times throughout North Africa and the Near East is based on the frequent dumping of water into porous pottery vases buried in the ground. In this context, these two techniques have been combined by replacing the pottery vase with plastic bottles filled with sand that discharge water through their perforated walls into the surrounding soil. The first objective of this work is the theoretical determination using CLIMWAT and CROPWAT software of the irrigation doses of some crops (palm, wheat, and onion) and experimental by measuring the humidity of the soil before and after watering. The second objective is to determine the purifying power of the sand filter in the bottle. Based on the CROPWAT software results, the date palm needs 18.5 mm in the third decade of December, 57.2 mm in January, and 73.7 mm in February, whereas the doses received by experimentally determined by means of soil moisture before and after irrigation are 19.5 mm respectively, 79.66 mm and 95.66 mm. The onion needs 14.3 mm in the third decade of December of, 59.1 mm in January, and 80 mm in February, whereas the experimental dose received is 15.07 mm, respectively, 64.54 and 86.8 mm. The total requirements for the vegetative period are estimated at 1642.6 mm for date palms, 277.4 mm for wheat, and 193.5 mm for onions. The removal rate of the majority of pollutants from the bottle is 80%. This work covers, on the one hand, the context of water conservation, sustainable development, and protection of the environment, and on the other, the agricultural field.Keywords: irrigation, sand, filter, humidity, bottle
Procedia PDF Downloads 65171 Geophysical and Laboratory Evaluation of Aquifer Position, Aquifer Protective Capacity and Groundwater Quality in Selected Dumpsites in Calabar Municipal Local Government Area, South Eastern Nigeria
Authors: Egor Atan Obeten, Abong Augustine Agwul, Bissong A. Samson
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The position of the aquifer, its protective capability, and the quality of the groundwater beneath the dumpsite were all investigated. The techniques employed were laboratory, tritium tagging, electrical resistivity tomography (ERT), and vertical electrical sounding (VES). With a maximum electrode spacing of 500 meters, fifteen VES stations were used, and IPI2win software was used to analyze the data collected. The resistivity map of the dumpsite was determined by deploying six ERT stations for the 2 D survey. To ascertain the degree of soil infiltration beneath the dumpsite, the tritium tagging method was used. Using a conventional laboratory procedure, groundwater samples were taken from neighboring boreholes and examined. The findings showed that there were three to five geoelectric layers, with the aquifer position being inferred to be between 24.2 and 75.1 meters deep in the third, fourth, and fifth levels. Siemens with values in the range of 0.0235 to 0.1908 for the load protection capacity were deemed to be, at most, weakly and badly protected. The obtained porosity values ranged from 44.45 to 89.75. Strong calculated values for transmissivity and porosity indicate a permeable aquifer system with considerable storativity. The area has an infiltration value between 8 and 22 percent, according to the results of the tritium tagging technique, which was used to evaluate the level of infiltration from the dumpsite. Groundwater samples that have been analyzed reveal levels of NO2, DO, Pb2+, magnesium, and cadmium that are higher than what the NSDWQ has approved. Overall analysis of the results from the above-described methodologies shows that the study area's aquifer system is porous and that contaminants will circulate through it quickly if they are contaminated.Keywords: aquifer, transmissivity, dumpsite, groundwater
Procedia PDF Downloads 47170 Fly Ash Derived Zeolites as Potential Sorbents for Elemental Mercury Removal from Simulated Gas Stream
Authors: Piotr Kunecki, Magdalena Wdowin
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The fly ash produced as waste in the process of conventional coal combustion was utilized in the hybrid synthesis of zeolites X and A from Faujasite (FAU) and Linde Type A (LTA) frameworks, respectively. The applied synthesis method included modification together with the crystallization stage. The sorbent modification was performed by introducing metals into the zeolite structure in order to create an ability to form stable bonds with elemental mercury (Hg0). The use of waste in the form of fly ash as a source of silicon and aluminum, as well as the proposed method of zeolite synthesis, fits the circular economy idea. The effect of zeolite modification on Hg0 removal from a simulated gas stream was studied empirically using prototype installation designed to test the effectiveness of sorption by solid-state sorbents. Both derived zeolites X and A modified with silver nitrate revealed significant mercury uptake during a 150-minute sorption experiment. The amount of elemental mercury removed in the experiment ranged from 5.69 to 6.01 µg Hg0/1g of sorbent for zeolites X and from 4.47 to 4.86 µg Hg0/1g of sorbent for zeolites A. In order to confirm the effectiveness of the sorbents towards mercury bonding, the possible re-emission effect was tested as well. Derived zeolites X and A did not show mercury re-emission after the sorption process, which confirms the stable bonding of Hg0 in the structure of synthesized zeolites. The proposed hybrid synthesis method possesses the potential to be implemented for both fly ash utilization as well as the time and energy-saving production of aluminosilicate, porous materials with high Hg0 removal efficiency. This research was supported by National Science Centre, Poland, grant no 2021/41/N/ST5/03214.Keywords: fly ash, synthetic zeolites, elemental mercury removal, sorption, simulated gas stream
Procedia PDF Downloads 86169 Sorption of Cesium Ions from Aqueous Solutions by Magnetic Multi-Walled Carbon Nanotubes Functionalized with Zinc Hexacyanoferrate
Authors: H. H. Lee, D. Y. Kim, S. W. Lee, J. H. Kim, J. H. Kim, W. Z. Oh, S. J. Choi
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In recent years, carbon nanotubes (CNTs) have been widely employed as a sorbent for the removal of various metal ions from water due to their unique properties such as large surface area, light mass density, high porous and hollow structure, and strong interaction between the pollutant molecules and CNTs. To apply CNTs to the sorption of Cs+ from aqueous solutions, they must first be functionalized to increase their hydrophilicity and therefore, enhance their applicability to the sorption of polar and relatively low-molecular-weight species. The objective of this study is to investigate the preparation of magnetically separable multi-walled carbon nanotubes (MWCNTs-m) as a sorbents for the removal of Cs+ from aqueous solutions. The MWCNTs-m was prepared using pristine MWCNTs and iron precursor Fe(acac)3. For the selective removal of Cs+ from aqueous solutions, the MWCNTs-m was functionalized with zinc hexacyanoferrate (MWCNTs-m-ZnFC). The physicochemical properties of the synthesized sorbents were characterized with various techniques, including transmission electron microscopy (TEM), specific surface area analysis, Fourier transform-infrared (FT-IR) spectroscopy, and vibrating-sample magnetometer. The MWCNTs-m-ZnFC was found to be easily separated from aqueous solutions by using magnetic field. The MWCNTs-m-ZnFC exhibited a high capacity for sorbing Cs+ from aqueous solutions because of their strong affinity for Cs+ and specific surface area. The sorption ability of the MWCNTs-m-ZnFC for Cs+ was maintained even in the presence of co-existing ions (Na+). Considering these results, the CNT-m-ZnFCs have great potential for use as an effective sorbent for the selective removal of radioactive Cs+ ions from aqueous solutions.Keywords: multi-walled carbon nanotubes, magnetic materials, cesium, zinc hexacyanoferrate, sorption
Procedia PDF Downloads 324168 Performance Evaluation of a Fuel Cell Membrane Electrode Assembly Prepared from a Reinforced Proton Exchange Membrane
Authors: Yingjeng James Li, Yun Jyun Ou, Chih Chi Hsu, Chiao-Chih Hu
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A fuel cell is a device that produces electric power by reacting fuel and oxidant electrochemically. There is no pollution produced from a fuel cell if hydrogen is employed as the fuel. Therefore, a fuel cell is considered as a zero emission device and is a source of green power. A membrane electrode assembly (MEA) is the key component of a fuel cell. It is, therefore, beneficial to develop MEAs with high performance. In this study, an MEA for proton exchange membrane fuel cell (PEMFC) was prepared from a 15-micron thick reinforced PEM. The active area of such MEA is 25 cm2. Carbon supported platinum (Pt/C) was employed as the catalyst for both anode and cathode. The platinum loading is 0.6 mg/cm2 based on the sum of anode and cathode. Commercially available carbon papers coated with a micro porous layer (MPL) serve as gas diffusion layers (GDLs). The original thickness of the GDL is 250 μm. It was compressed down to 163 μm when assembled into the single cell test fixture. Polarization curves were taken by using eight different test conditions. At our standard test condition (cell: 70 °C; anode: pure hydrogen, 100%RH, 1.2 stoic, ambient pressure; cathode: air, 100%RH, 3.0 stoic, ambient pressure), the cell current density is 1250 mA/cm2 at 0.6 V, and 2400 mA/cm2 at 0.4 V. At self-humidified condition and cell temperature of 55 °C, the cell current density is 1050 mA/cm2 at 0.6 V, and 2250 mA/cm2 at 0.4 V. Hydrogen crossover rate of the MEA is 0.0108 mL/min*cm2 according to linear sweep voltammetry experiments. According to the MEA’s Pt loading and the cyclic voltammetry experiments, the Pt electrochemical surface area is 60 m2/g. The ohmic part of the impedance spectroscopy results shows that the membrane resistance is about 60 mΩ*cm2 when the MEA is operated at 0.6 V.Keywords: fuel cell, membrane electrode assembly, proton exchange membrane, reinforced
Procedia PDF Downloads 293167 Mordenite as Catalyst Support for Complete Volatile Organic Compounds Oxidation
Authors: Yuri A. Kalvachev, Totka D. Todorova
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Zeolite mordenite has been investigated as a transition metal support for the preparation of efficient catalysts in the oxidation of volatile organic compounds (VOCs). The highly crystalline mordenite samples were treated with hydrofluoric acid and ammonium fluoride to get hierarchical material with secondary porosity. The obtained supports by this method have a high active surface area, good diffusion properties and prevent the extraction of metal components during catalytic reactions. The active metal phases platinum and copper were loaded by impregnation on both mordenite materials (parent and acid treated counterparts). Monometalic Pt and Cu, and bimetallic Pt/Cu catalysts were obtained. The metal phases were fine dispersed as nanoparticles on the functional porous materials. The catalysts synthesized in this way were investigated in the reaction of complete oxidation of propane and benzene. Platinum, copper and platinum/copper were loaded and there catalytic activity was investigated and compared. All samples are characterized by X-ray diffraction analysis, nitrogen adsorption, scanning electron microscopy (SEM), X-ray photoelectron measurements (XPS) and temperature programed reduction (TPR). The catalytic activity of the samples obtained is investigated in the reaction of complete oxidation of propane and benzene by using of Gas Chromatography (GC). The oxidation of three organic molecules was investigated—methane, propane and benzene. The activity of metal loaded mordenite catalysts for methane oxidation is almost the same for parent and treated mordenite as a support. For bigger molecules as propane and benzene, the activity of catalysts based on treated mordenite is higher than those based on parent zeolite.Keywords: metal loaded catalysts, mordenite, VOCs oxidation, zeolites
Procedia PDF Downloads 130166 Adsorption of Dyes and Iodine: Reaching Outstanding Kinetics with CuII-Based Metal–Organic Nanoballs
Authors: Eder Amayuelas, Begoña Bazán, M. Karmele Urtiaga, Gotzone Barandika, María I. Arriortua
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Metal Organic Frameworks (MOFs) have attracted great interest in recent years, taking a lead role in the field of catalysis, drug delivery, sensors and absorption. In the past decade, promising results have been reported specifically in the field of adsorption, based on the topology and chemical features of this type of porous material. Thus, its application in industry and environment for the adsorption of pollutants is presented as a response to an increasingly important need. In this area, organic dyes are nowadays widely used in many industries including medicine, textile, leather, printing and plastics. The consequence of this fact is that dyes are present as emerging pollutants in soils and water where they remain for long periods of time due to their high stability, with a potential risk of toxicity in wildlife and in humans. On the other hand, the presence of iodine in soils, water and gas as a nuclear activity pollutant product or its extended use as a germicide is still a problem in many countries, which indicates the imperative need for its removal. In this context, this work presents the characterization as an adsorbent of the activated compound αMOP@Ei2-1 obtained from the already reported [Cu₂₄(m-BDC)₂₄(DMF)₂₀(H₂O)₄]•24DMF•40H₂O (MOP@Ei2-1), where m-BDC is the 1,3-benzenedicarboxylic ligand and DMF is N,N′-dimethylformamide. The structure of MOP@Ei2-1 consists of Cu24 clusters arranged in such a way that 12 paddle-wheels are connected through m-BDC ligands. The clusters exhibit an internal cavity where crystallization molecules of DMF and water are located. Adsorption of dyes and iodine as pollutant examples has been carried out, focusing attention on the kinetics of the rapid process.Keywords: adsorption, organic dyes, iodine, metal organic frameworks
Procedia PDF Downloads 275165 Hemodynamics of a Cerebral Aneurysm under Rest and Exercise Conditions
Authors: Shivam Patel, Abdullah Y. Usmani
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Physiological flow under rest and exercise conditions in patient-specific cerebral aneurysm models is numerically investigated. A finite-volume based code with BiCGStab as the linear equation solver is used to simulate unsteady three-dimensional flow field through the incompressible Navier-Stokes equations. Flow characteristics are first established in a healthy cerebral artery for both physiological conditions. The effect of saccular aneurysm on cerebral hemodynamics is then explored through a comparative analysis of the velocity distribution, nature of flow patterns, wall pressure and wall shear stress (WSS) against the reference configuration. The efficacy of coil embolization as a potential strategy of surgical intervention is also examined by modelling coil as a homogeneous and isotropic porous medium where the extended Darcy’s law, including Forchheimer and Brinkman terms, is applicable. The Carreau-Yasuda non-Newtonian blood model is incorporated to capture the shear thinning behavior of blood. Rest and exercise conditions correspond to normotensive and hypertensive blood pressures respectively. The results indicate that the fluid impingement on the outer wall of the arterial bend leads to abnormality in the distribution of wall pressure and WSS, which is expected to be the primary cause of the localized aneurysm. Exercise correlates with elevated flow velocity, vortex strength, wall pressure and WSS inside the aneurysm sac. With the insertion of coils in the aneurysm cavity, the flow bypasses the dilatation, leading to a decline in flow velocities and WSS. Particle residence time is observed to be lower under exercise conditions, a factor favorable for arresting plaque deposition and combating atherosclerosis.Keywords: 3D FVM, Cerebral aneurysm, hypertension, coil embolization, non-Newtonian fluid
Procedia PDF Downloads 234164 Physicochemical and Thermal Characterization of Starch from Three Different Plantain Cultivars in Puerto Rico
Authors: Carmen E. Pérez-Donado, Fernando Pérez-Muñoz, Rosa N. Chávez-Jáuregui
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Plantain contains starch as the majority component and represents a relevant source of this carbohydrate. Starches from different cultivars of plantain and bananas have been studied for industrialization purposes due to their morphological and thermal characteristics and their influence on food products. This study aimed to characterize the physical, chemical, and thermal properties of starch from three different plantains cultivated in Puerto Rico: Maricongo, Maiden, and FHIA 20. Amylose and amylopectin content, color, granular size, morphology, and thermal properties were determined. According to the content of amylose in starches, FHIA 20 starch presented minor content of the three cultivars studied. In terms of color, Maiden and FHIA 20 starch exhibited a significantly higher whiteness index comparing their values with Maricongo starch. The starches of the three cultivars had an elongated-ovoid morphology, with a smooth surface and a non-porous appearance. Regardless of similarities in their morphology, FHIA 20 showed a lower aspect ratio, which meant that their granules tended to be more elongated granules. Comparing the thermal properties of starches, it was found that the initial gelatinization temperature of the starch of the cultivars was similar. However, the final gelatinization temperatures of the starches belonging to the cultivars Maricongo (79.69°C) and Maiden (77.40°C) were similar, whereas FHIA 20 starch presented a noticeably higher final gelatinization temperature (87.95°C) and transition enthalpy. Despite source similarities, starches from plantain cultivars showed differences in their composition and thermal behavior. Therefore, this represents an opportunity to diversify their use in food-related applications.Keywords: aspect ratio, morphology, Musa spp., starch, thermal properties
Procedia PDF Downloads 265163 In a Situation of Great Distress: Cross Border Migration and the Quest for Enduring Security in North-East Nigeria
Authors: Nuhu Bitrus Mailabari
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Nigeria is a highly multifarious nation trapped between affluence and affliction. On one hand, the state has vast territorial size, economic strength, relative internal cohesion, and good external linkages. On the other, it is bedeviled with enormous challenges. It is common knowledge that the North-East geo-political zone has suffered colossal destruction for the most part of the last ten years due to the activities of the insurgent group Boko Haram. Several factors (political, economic, religious, socio-cultural) have been credited with the heightened insecurity in the region. Without a doubt, the security crisis in the region has rekindled several discussions critical to Nigeria’s security architecture. However, the debate on finding an enduring solution to the devastation in the North East continually neglects the nexus between cross border migration and national security. Using content analysis, this paper debates two main issues that continue to affect security in the North East. One, the cumulative impact of the Economic Community of West African States (ECOWAS) protocol on the free movement of people and goods. Two, the porous nature of Nigeria’s borders. Theoretically, the paper will rely on the systems theory because of its broad focus on structure, linkage, and process. The work concludes in twofold. First, that cross border migration and poor border management processes further worsened the political and socio-economic conditions of a region that is already in a bad state. Secondly, in addition to the existing strategies, Nigeria must develop a holistic approach including new methods of handling cross border movements in solving the security issues.Keywords: border, cross border, migration, Nigeria, northeast region, security
Procedia PDF Downloads 164162 Analysis of the Detachment of Water Droplets from a Porous Fibrous Surface
Authors: Ibrahim Rassoul, E-K. Si Ahmed
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The growth, deformation, and detachment of fluid droplets adherent to solid substrates is a problem of fundamental interest with numerous practical applications. Specific interest in this proposal is the problem of a droplet on a fibrous, hydrophobic substrate subjected to body or external forces (gravity, convection). The past decade has seen tremendous advances in proton exchange membrane fuel cell (PEMFC) technology. However, there remain many challenges to bring commercially viable stationary PEMFC products to the market. PEMFCs are increasingly emerging as a viable alternative clean power source for automobile and stationary applications. Before PEMFCs can be employed to power automobiles and homes, several key technical challenges must be properly addressed. One technical challenge is elucidating the mechanisms underlying water transport in and removal from PEMFCs. On the one hand, sufficient water is needed in the polymer electrolyte membrane or PEM to maintain sufficiently high proton conductivity. On the other hand, too much liquid water present in the cathode can cause 'flooding' (that is, pore space is filled with excessive liquid water) and hinder the transport of the oxygen reactant from the gas flow channel (GFC) to the three-phase reaction sites. The aim of this work is to investigate the stability of a liquid water droplet emerging form a GDL pore, to gain fundamental insight into the instability process leading to detachment. The approach will combine analytical and numerical modeling with experimental visualization and measurements.Keywords: polymer electrolyte fuel cell, water droplet, gas diffusion layer, contact angle, surface tension
Procedia PDF Downloads 251161 Synthesis and Characterization of CNPs Coated Carbon Nanorods for Cd2+ Ion Adsorption from Industrial Waste Water and Reusable for Latent Fingerprint Detection
Authors: Bienvenu Gael Fouda Mbanga
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This study reports a new approach of preparation of carbon nanoparticles coated cerium oxide nanorods (CNPs/CeONRs) nanocomposite and reusing the spent adsorbent of Cd2+- CNPs/CeONRs nanocomposite for latent fingerprint detection (LFP) after removing Cd2+ ions from aqueous solution. CNPs/CeONRs nanocomposite was prepared by using CNPs and CeONRs with adsorption processes. The prepared nanocomposite was then characterized by using UV-visible spectroscopy (UV-visible), Fourier transforms infrared spectroscopy (FTIR), X-ray diffraction pattern (XRD), scanning electron microscope (SEM), Transmission electron microscopy (TEM), Energy-dispersive X-ray spectroscopy (EDS), Zeta potential, X-ray photoelectron spectroscopy (XPS). The average size of the CNPs was 7.84nm. The synthesized CNPs/CeONRs nanocomposite has proven to be a good adsorbent for Cd2+ removal from water with optimum pH 8, dosage 0. 5 g / L. The results were best described by the Langmuir model, which indicated a linear fit (R2 = 0.8539-0.9969). The adsorption capacity of CNPs/CeONRs nanocomposite showed the best removal of Cd2+ ions with qm = (32.28-59.92 mg/g), when compared to previous reports. This adsorption followed pseudo-second order kinetics and intra particle diffusion processes. ∆G and ∆H values indicated spontaneity at high temperature (40oC) and the endothermic nature of the adsorption process. CNPs/CeONRs nanocomposite therefore showed potential as an effective adsorbent. Furthermore, the metal loaded on the adsorbent Cd2+- CNPs/CeONRs has proven to be sensitive and selective for LFP detection on various porous substrates. Hence Cd2+-CNPs/CeONRs nanocomposite can be reused as a good fingerprint labelling agent in LFP detection so as to avoid secondary environmental pollution by disposal of the spent adsorbent.Keywords: Cd2+-CNPs/CeONRs nanocomposite, cadmium adsorption, isotherm, kinetics, thermodynamics, reusable for latent fingerprint detection
Procedia PDF Downloads 121160 Relevance of Reliability Approaches to Predict Mould Growth in Biobased Building Materials
Authors: Lucile Soudani, Hervé Illy, Rémi Bouchié
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Mould growth in living environments has been widely reported for decades all throughout the world. A higher level of moisture in housings can lead to building degradation, chemical component emissions from construction materials as well as enhancing mould growth within the envelope elements or on the internal surfaces. Moreover, a significant number of studies have highlighted the link between mould presence and the prevalence of respiratory diseases. In recent years, the proportion of biobased materials used in construction has been increasing, as seen as an effective lever to reduce the environmental impact of the building sector. Besides, bio-based materials are also hygroscopic materials: when in contact with the wet air of a surrounding environment, their porous structures enable a better capture of water molecules, thus providing a more suitable background for mould growth. Many studies have been conducted to develop reliable models to be able to predict mould appearance, growth, and decay over many building materials and external exposures. Some of them require information about temperature and/or relative humidity, exposure times, material sensitivities, etc. Nevertheless, several studies have highlighted a large disparity between predictions and actual mould growth in experimental settings as well as in occupied buildings. The difficulty of considering the influence of all parameters appears to be the most challenging issue. As many complex phenomena take place simultaneously, a preliminary study has been carried out to evaluate the feasibility to sadopt a reliability approach rather than a deterministic approach. Both epistemic and random uncertainties were identified specifically for the prediction of mould appearance and growth. Several studies published in the literature were selected and analysed, from the agri-food or automotive sectors, as the deployed methodology appeared promising.Keywords: bio-based materials, mould growth, numerical prediction, reliability approach
Procedia PDF Downloads 46159 Modeling of Drug Distribution in the Human Vitreous
Authors: Judith Stein, Elfriede Friedmann
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The injection of a drug into the vitreous body for the treatment of retinal diseases like wet aged-related macular degeneration (AMD) is the most common medical intervention worldwide. We develop mathematical models for drug transport in the vitreous body of a human eye to analyse the impact of different rheological models of the vitreous on drug distribution. In addition to the convection diffusion equation characterizing the drug spreading, we use porous media modeling for the healthy vitreous with a dense collagen network and include the steady permeating flow of the aqueous humor described by Darcy's law driven by a pressure drop. Additionally, the vitreous body in a healthy human eye behaves like a viscoelastic gel through the collagen fibers suspended in the network of hyaluronic acid and acts as a drug depot for the treatment of retinal diseases. In a completely liquefied vitreous, we couple the drug diffusion with the classical Navier-Stokes flow equations. We prove the global existence and uniqueness of the weak solution of the developed initial-boundary value problem describing the drug distribution in the healthy vitreous considering the permeating aqueous humor flow in the realistic three-dimensional setting. In particular, for the drug diffusion equation, results from the literature are extended from homogeneous Dirichlet boundary conditions to our mixed boundary conditions that describe the eye with the Galerkin's method using Cauchy-Schwarz inequality and trace theorem. Because there is only a small effective drug concentration range and higher concentrations may be toxic, the ability to model the drug transport could improve the therapy by considering patient individual differences and give a better understanding of the physiological and pathological processes in the vitreous.Keywords: coupled PDE systems, drug diffusion, mixed boundary conditions, vitreous body
Procedia PDF Downloads 137158 Simulated Mechanical Analysis on Hydroxyapatite Coated Porous Polylactic Acid Scaffold for Bone Grafting
Authors: Ala Abobakr Abdulhafidh Al-Dubai
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Bone loss has risen due to fractures, surgeries, and traumatic injuries. Scientists and engineers have worked over the years to find solutions to heal and accelerate bone regeneration. The bone grafting technique has been utilized, which projects significant improvement in the bone regeneration area. An extensive study is essential on the relation between the mechanical properties of bone scaffolds and the pore size of the scaffolds, as well as the relation between the mechanical properties of bone scaffolds with the development of bioactive coating on the scaffolds. In reducing the cost and time, a mechanical simulation analysis is beneficial to simulate both relations. Therefore, this study highlights the simulated mechanical analyses on three-dimensional (3D) polylactic acid (PLA) scaffolds at two different pore sizes (P: 400 and 600 μm) and two different internals distances of (D: 600 and 900 μm), with and without the presence of hydroxyapatite (HA) coating. The 3D scaffold models were designed using SOLIDWORKS software. The respective material properties were assigned with the fixation of boundary conditions on the meshed 3D models. Two different loads were applied on the PLA scaffolds, including side loads of 200 N and vertical loads of 2 kN. While only vertical loads of 2 kN were applied on the HA coated PLA scaffolds. The PLA scaffold P600D900, which has the largest pore size and maximum internal distance, generated the minimum stress under the applied vertical load. However, that same scaffold became weaker under the applied side load due to the high construction gap between the pores. The development of HA coating on top of the PLA scaffolds induced greater stress generation compared to the non-coated scaffolds which is tailorable for bone implantation. This study concludes that the pore size and the construction of HA coating on bone scaffolds affect the mechanical strength of the bone scaffolds.Keywords: hydroxyapatite coating, bone scaffold, mechanical simulation, three-dimensional (3D), polylactic acid (PLA).
Procedia PDF Downloads 60157 The Methanotrophic Activity in a Landfill Bio-Cover through a Subzero Winter
Authors: Parvin Berenjkar, Qiuyan Yuan, Richard Sparling, Stan Lozecznik
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Landfills highly contribute to anthropological global warming through CH₄ emissions. Landfills are usually capped by a conventional soil cover to control the migration of gases. Methane is consumed by CH₄-oxidizing microorganisms known as methanotrophs that naturally exist in the landfill soil cover. The growth of methanotrophs can be optimized in a bio-cover that typically consists of a gas distribution layer (GDL) to homogenize landfill gas fluxes and an overlying oxidation layer composed of suitable materials that support methanotrophic populations. Materials such as mature yard waste composts can provide an inexpensive and favourable porous support for the growth and activity of methanotrophs. In areas with seasonal cold climates, it is valuable to know if methanotrophs in a bio-cover can survive in winter until the next spring, and how deep they are active in the bio-cover to mitigate CH₄. In this study, a pilot bio-cover was constructed in a closed landfill cell in Winnipeg that has a very cold climate in Canada. The bio-cover has a surface area of 2.5 m x 3.5 m and 1.5 m of depth, filled with 50 cm of gravel as a GDL and 70 cm of biosolids compost amended with yard and leaf waste compost. The observed in situ potential of methanotrophs for CH₄ oxidation was investigated at a specific period of time from December 2016 to April 2017 as well as November 2017 to April 2018, when the transition to surface frost and thawing happens in the bio-cover. Compost samples taken from different depths of the bio-cover were incubated in the laboratory under standardized conditions; an optimal air: methane atmosphere, at 22ºC, but at in situ moisture content. Results showed that the methanotrophs were alive oxidizing methane without a lag, indicating that there was the potential for methanotrophic activity at some depths of the bio-cover.Keywords: bio-cover, global warming, landfill, methanotrophic activity
Procedia PDF Downloads 121156 Transdermal Medicated- Layered Extended-Release Patches for Co-delivery of Carbamazepine and Pyridoxine
Authors: Sarah K. Amer, Walaa Alaa
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Epilepsy is an important cause of mortality and morbidity, according to WHO statistics. It is characterized by the presence of frequent seizures occurring more than 24 hours apart. Carbamazepine (CBZ) is considered first-line treatment for epilepsy. However, reports have shown that CBZ oral formulations failed to achieve optimum systemic delivery, minimize side effects, and enhance patient compliance. Besides, the literature has signified the lack of therapeutically efficient CBZ transdermal formulation and the urge for its existence owing to its ease and convenient method of application and highlighted capability to attain higher bioavailability and more extended-release profiles compared to conventional oral CBZ tablets. This work aims to prepare CBZ microspheres (MS) that are embedded in a transdermal gel containing Vitamin B to be co-delivered. MS were prepared by emulsion-solvent diffusion method using Eudragit S as core forming polymer and hydroxypropyl methylcellulose (HPMC) polymer. The MS appeared to be spherical and porous in nature, offering a large surface area and high entrapment efficiency of CBZ. The transdermal gel was prepared by solvent-evaporation technique using HPMC that, offered high entrapment efficiency and Eudragit S that provided an extended-release profile. Polyethylene glycol, Span 80 and Pyridoxine were also added. Data indicated that combinations of CBZ with pyridoxine can reduce epileptic seizures without affecting motor coordination. Extended-release profiles were evident for this system. The patches were furthermore tested for thickness, moisture content, folding endurance, spreadability and viscosity measurements. This novel pharmaceutical formulation would be of great influence on seizure control, offering better therapeutic effects.Keywords: epilepsy, carbamazepine, pyridoxine, transdermal
Procedia PDF Downloads 59155 Fused Deposition Modelling as the Manufacturing Method of Fully Bio-Based Water Purification Filters
Authors: Natalia Fijol, Aji P. Mathew
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We present the processing and characterisation of three-dimensional (3D) monolith filters based on polylactic acid (PLA) reinforced with various nature-derived nanospecies such as hydroxyapatite, modified cellulose fibers and chitin fibers. The nanospecies of choice were dispersed in PLA through Thermally Induced Phase Separation (TIPS) method. The biocomposites were developed via solvent-assisted blending and the obtained pellets were further single-screw extruded into 3D-printing filaments and processed into various geometries using Fused Deposition Modelling (FDM) technique. The printed prototypes included cubic, cylindrical and hour-glass shapes with diverse patterns of printing infill as well as varying pore structure including uniform and multiple level gradual pore structure. The pores and channel structure as well as overall shape of the prototypes were designed in attempt to optimize the flux and maximize the adsorption-active time. FDM is a cost and energy-efficient method, which does not require expensive tools and elaborated post-processing maintenance. Therefore, FDM offers the possibility to produce customized, highly functional water purification filters with tuned porous structures suitable for removal of wide range of common water pollutants. Moreover, as 3D printing becomes more and more available worldwide, it allows producing portable filters at the place and time where they are most needed. The study demonstrates preparation route for the PLA-based, fully biobased composite and their processing via FDM technique into water purification filters, addressing water treatment challenges on an industrial scale.Keywords: fused deposition modelling, water treatment, biomaterials, 3D printing, nanocellulose, nanochitin, polylactic acid
Procedia PDF Downloads 115154 Nickel Oxide-Nitrogen-Doped Carbon (Ni/NiOx/NC) Derived from Pyrolysis of 2-Aminoterephthalic Acid for Electrocatalytic Oxidation of Ammonia
Authors: Yu-Jen Shih, Juan-Zhang Lou
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Nitrogenous compounds, such as NH4+/NH3 and NO3-, have become important contaminants in water resources. Excessive concentration of NH3 leads to eutrophication, which poses a threat to aquatic organisms in the environment. Electrochemical oxidation emerged as a promising water treatment technology, offering advantages such as simplicity, small-scale operation, and minimal reliance on additional chemicals. In this study, a nickel-based metal-organic framework (Ni-MOF) was synthesized using 2-amino terephthalic acid (BDC-NH2) and nickel nitrate. The Ni-MOF was further carbonized as derived nickel oxide and nitrogen-carbon composite, Ni/NiOx/NC. The nickel oxide within the 2D porous carbon texture served as active sites for ammonia oxidation. Results of characterization showed that the Ni-MOF was a hexagonal and flaky nanoparticle. With increasing carbonization temperature, the nickel ions in the organic framework re-crystallized as NiO clusters on the surfaces of the 2D carbon. The electrochemical surface area of Ni/NiOx/NC significantly increased as to improve the efficiency of ammonia oxidation. The phase transition of Ni(OH)2⇌NiOOH at around +0.8 V was the primary mediator of electron transfer. Batch electrolysis was conducted under constant current and constant potential modes. The electrolysis parameters included pyrolysis temperatures, pH, current density, initial feed concentration, and electrode potential. The constant current batch experiments indicated that via carbonization at 800 °C, Ni/NiOx/NC(800) was able to decrease the ammonium nitrogen of 50 mg-N/L to below 1 ppm within 4 hours at a current density of 3 mA/cm2 and pH 11 with negligible oxygenated nitrogen formation. The constant potential experiments confirmed that N2 nitrogen selectivity was enhanced up to 90% at +0.8 V.Keywords: electrochemical oxidation, nickel oxyhydroxide, metal-organic framework, ammonium, nitrate
Procedia PDF Downloads 63153 Dual Metal Organic Framework Derived N-Doped Fe3C Nanocages Decorated with Ultrathin ZnIn2S4 Nanosheets for Efficient Photocatalytic Hydrogen Generation
Authors: D. Amaranatha Reddy
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Highly efficient and stable co-catalysts materials is of great important for boosting photo charge carrier’s separation, transportation efficiency, and accelerating the catalytic reactive sites of semiconductor photocatalysts. As a result, it is of decisive importance to fabricate low price noble metal free co-catalysts with high catalytic reactivity, but it remains very challenging. Considering this challenge here, dual metal organic frame work derived N-Doped Fe3C nanocages have been rationally designed and decorated with ultrathin ZnIn2S4 nanosheets for efficient photocatalytic hydrogen generation. The fabrication strategy precisely integrates co-catalyst nanocages with ultrathin two-dimensional (2D) semiconductor nanosheets by providing tightly interconnected nano-junctions and helps to suppress the charge carrier’s recombination rate. Furthermore, constructed highly porous hybrid structures expose ample active sites for catalytic reduction reactions and harvest visible light more effectively by light scattering. As a result, fabricated nanostructures exhibit superior solar driven hydrogen evolution rate (9600 µmol/g/h) with an apparent quantum efficiency of 3.6 %, which is relatively higher than the Pt noble metal co-catalyst systems and earlier reported ZnIn2S4 based nanohybrids. We believe that the present work promotes the application of sulfide based nanostructures in solar driven hydrogen production.Keywords: photocatalysis, water splitting, hydrogen fuel production, solar-driven hydrogen
Procedia PDF Downloads 133152 Theoretical Analysis and Design Consideration of Screened Heat Pipes for Low-Medium Concentration Solar Receivers
Authors: Davoud Jafari, Paolo Di Marco, Alessandro Franco, Sauro Filippeschi
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This paper summarizes the results of an investigation into the heat pipe heat transfer for solar collector applications. The study aims to show the feasibility of a concentrating solar collector, which is coupled with a heat pipe. Particular emphasis is placed on the capillary and boiling limits in capillary porous structures, with different mesh numbers and wick thicknesses. A mathematical model of a cylindrical heat pipe is applied to study its behaviour when it is exposed to higher heat input at the evaporator. The steady state analytical model includes two-dimensional heat conduction in the HP’s wall, the liquid flow in the wick and vapor hydrodynamics. A sensitivity analysis was conducted by considering different design criteria and working conditions. Different wicks (mesh 50, 100, 150, 200, 250, and, 300), different porosities (0.5, 0.6, 0.7, 0.8, and 0.9) with different wick thicknesses (0.25, 0.5, 1, 1.5, and 2 mm) are analyzed with water as a working fluid. Results show that it is possible to improve heat transfer capability (HTC) of a HP by selecting the appropriate wick thickness, the effective pore radius, and lengths for a given HP configuration, and there exist optimal design criteria (optimal thick, evaporator adiabatic and condenser sections). It is shown that the boiling and wicking limits are connected and occurs in dependence on each other. As different parts of the HP external surface collect different fractions of the total incoming insolation, the analysis of non-uniform heat flux distribution indicates that peak heat flux is not affecting parameter. The parametric investigations are aimed to determine working limits and thermal performance of HP for medium temperature SC application.Keywords: screened heat pipes, analytical model, boiling and capillary limits, concentrating collector
Procedia PDF Downloads 560151 Microwave Freeze Drying of Fruit Foams for the Production of Healthy Snacks
Authors: Sabine Ambros, Mine Oezcelik, Evelyn Dachmann, Ulrich Kulozik
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Nutritional quality and taste of dried fruit products is still often unsatisfactory and does not meet anymore the current consumer trends. Dried foams from fruit puree could be an attractive alternative. Due to their open-porous structure, a new sensory perception with a sudden and very intense aroma release could be generated. To make such high quality fruit snacks affordable for the consumer, a gentle but at the same time fast drying process has to be applied. Therefore, microwave-assisted freeze drying of raspberry foams was investigated in this work and compared with the conventional freeze drying technique in terms of nutritional parameters such as antioxidative capacity, anthocyanin content and vitamin C and the physical parameters colour and wettability. The following process settings were applied: 0.01 kPa chamber pressure and a maximum temperature of 30 °C for both freeze and microwave freeze drying. The influence of microwave power levels on the dried foams was investigated between 1 and 5 W/g. Intermediate microwave power settings led to the highest nutritional values, a colour appearance comparable to the undried foam and a proper wettability. A proper process stability could also be guaranteed for these power levels. By the volumetric energy input of the microwaves drying time could be reduced from 24 h in conventional freeze drying to about 6 h. The short drying times further resulted in an equally high maintenance of the above mentioned parameters in both drying techniques. Hence, microwave assisted freeze drying could lead to a process acceleration in comparison to freeze drying and be therefore an interesting alternative drying technique which on industrial scale enables higher efficiency and higher product throughput.Keywords: foam drying, freeze drying, fruit puree, microwave freeze drying, raspberry
Procedia PDF Downloads 340150 The Proton Flow Battery for Storing Renewable Energy: A Theoretical Model of Electrochemical Hydrogen Storage in an Activated Carbon Electrode
Authors: Sh. Heidari, A. J. Andrews, A. Oberoi
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Electrochemical storage of hydrogen in activated carbon electrodes as part of a reversible fuel cell offers a potentially attractive option for storing surplus electrical energy from inherently variable solar and wind energy resources. Such a system – which we have called a proton flow battery – promises to have a roundtrip energy efficiency comparable to lithium ion batteries, while having higher gravimetric and volumetric energy densities. In this paper, a theoretical model is presented of the process of H+ ion (proton) conduction through an acid electrolyte into a highly porous activated carbon electrode where it is neutralised and absorbed on the inner surfaces of pores. A Butler-Volmer type equation relates the rate of adsorption to the potential difference between the activated carbon surface and the electrolyte. This model for the hydrogen storage electrode is then incorporated into a more general computer model based on MATLAB software of the entire electrochemical cell including the oxygen electrode. Hence a theoretical voltage-current curve is generated for given input parameters for a particular activated carbon electrode. It is shown that theoretical VI curves produced by the model can be fitted accurately to experimental data from an actual electrochemical cell with the same characteristics. By obtaining the best-fit values of input parameters, such as the exchange current density and charge transfer coefficient for the hydrogen adsorption reaction, an improved understanding of the adsorption reaction is obtained. This new model will assist in designing improved proton flow batteries for storing solar and wind energy.Keywords: electrochemical hydrogen storage, proton flow battery, butler-volmer equation, activated carbon
Procedia PDF Downloads 500149 Ecofriendly Multi-Layer Polymer Treatment for Hydrophobic and Water Repellent Porous Cotton Fabrics
Authors: Muhammad Zahid, Ilker S. Bayer, Athanassia Athanassiou
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Fluorinated polymers having C8 chemistry (chemicals with 8 fluorinated carbon atoms) are well renowned for their excellent low surface tension and water repelling properties. However, these polymers degrade into highly toxic heavy perfluoro acids in the environment. When the C8 chemistry is reduced to C6 chemistry, this environmental concern is eliminated at the expense of reduced liquid repellent performance. In order to circumvent this, in this study, we demonstrate pre-treatment of woven cotton fabrics with a fluorinated acrylic copolymer with C6 chemistry and subsequently with a silicone polymer to render them hydrophobic. A commercial fluorinated acrylic copolymer was blended with silica nanoparticles to form hydrophobic nano-roughness on cotton fibers and a second coating layer of polydimethylsiloxane (PDMS) was applied on the fabric. A static water contact angle (for 5µl) and rolling angle (for 12.5µl) of 147°±2° and 31° were observed, respectively. Hydrostatic head measurements were also performed to better understand the performance with 26±1 cm and 2.56kPa column height and static pressure respectively. Fabrication methods (with rod coater etc.) were kept simple, reproducible, and scalable and cost efficient. Moreover, the robustness of applied coatings was also evaluated by sonication cleaning and abrasion methods. Water contact angle (WCA), water shedding angle (WSA), hydrostatic head, droplet bouncing-rolling off and prolonged staining tests were used to characterize hydrophobicity of materials. For chemical and morphological analysis, various characterization methods were used such as attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), atomic force microscopy (AFM) and scanning electron microscopy (SEM).Keywords: fluorinated polymer, hydrophobic, polydimethylsiloxane, water contact angle
Procedia PDF Downloads 325148 Understanding the Excited State Dynamics of a Phase Transformable Photo-Active Metal-Organic Framework MIP 177 through Time-Resolved Infrared Spectroscopy
Authors: Aneek Kuila, Yaron Paz
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MIP 177 LT and HT are two-phase transformable metal organic frameworks consisting of a Ti12O15 oxocluster and a tetracarboxylate ligand that exhibits robust chemical stability and improved photoactivity. LT to HT only shows the changes in dimensionality from 0D to 1D without any change in the overall chemical structure. In terms of chemical and photoactivity MIP 177 LT is found to perform better than the MIP 177HT. Step-scan Fourier transform absorption difference time-resolved spectroscopy has been used to collect mid-IR time-resolved infrared spectra of the transient electronic excited states of a nano-porous metal–organic framework MIP 177-LT and HT with 2.5 ns time resolution. Analyzing the time-resolved vibrational data after 355nm LASER excitation reveals the presence of the temporal changes of ν (O-Ti-O) of Ti-O metal cluster and ν (-COO) of the ligand concluding the fact that these moieties are the ultimate acceptors of the excited charges which are localized over those regions on the nanosecond timescale. A direct negative correlation between the differential absorbance (Δ Absorbance) reveals the charge transfer relation among these two moieties. A longer-lived transient signal up to 180ns for MIP 177 LT compared to the 100 ns of MIP 177 HT shows the extended lifetime of the reactive charges over the surface that exerts in their effectivity. An ultrafast change of bidentate to monodentate bridging in the -COO-Ti-O ligand-metal coordination environment was observed after the photoexcitation of MIP 177 LT which remains and lives with for seconds after photoexcitation is halted. This phenomenon is very unique to MIP 177 LT but not observed with HT. This in-situ change in the coordination denticity during the photoexcitation was not observed previously which can rationalize the reason behind the ability of MIP 177 LT to accumulate electrons during continuous photoexcitation leading to a superior photocatalytic activity.Keywords: time resolved FTIR, metal organic framework, denticity, photoacatalysis
Procedia PDF Downloads 58147 DFT Insights into CO₂ Capture Mechanisms and Kinetics in Diamine-Appended Grafted Mg₂ (dobpdc) Metal- Organic Frameworks
Authors: Mao-Sheng Su, Santhanamoorthi Nachimuthu, Jyh-Chiang Jiang
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Climate change is widely recognized as a global crisis, with anthropogenic CO₂ emissions from fossil fuel combustion and industrial processes being major contributors. To address this challenge, carbon capture and sequestration (CCS) technology has emerged as a key strategy for selectively capturing CO₂ from flue gas streams. Among the various solid adsorbents, metal–organic frameworks (MOFs) are notable for their extensive surface area and controllable pore chemistry. The porous MOF structure is comprised of metal ions or clusters coordinated to organic linker compounds. In particular, the pore parameters of MOFs are readily tunable, making them promising materials for CO₂ capture applications. Among these, amine-functionalized MOFs have demonstrated exceptional CO₂ capture abilities because their high uptake capacity and selectivity. In this study, we have investigated the CO₂ capture abilities and adsorption mechanisms of the diamine-appended framework N-Ethylethylenediamine-Mg₂(4,4’-dioxidobiphenyl-3,3’-dicarboxylate) (e-2-Mg₂(dobpdc)) using density functional theory (DFT) calculations. Previous studies have suggested that CO₂ can be captured via both outer- and inner-amine binding sites. Our findings reveal that CO₂ adsorption at the outer amine site is kinetically more favorable compared to the inner amine site, with a lower energy barrier of 1.34 eV for CO₂ physisorption to chemisorption compared to the inner amine, which has an activation barrier of 1.60 eV. Furthermore, we find that CO₂ adsorption is significantly enhanced in an alkaline environment, as deprotonation of the diamine molecule reduces the energy barrier to 0.24 eV. This theoretical study provides detailed insights into CO₂ adsorption in diamine-appended e-2-Mg₂(dobpdc) MOF, offering a deeper understanding of CO₂ capture mechanisms and valuable information for the advancement of effective CO₂ sequestration technologies.Keywords: DFT, MOFs, CO₂ capture, catalyst
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