Search results for: electro-chemical kinetics

Authors: Zeljko Crljen, Predrag Lazic

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Graphene has attracted a tremendous interest in the field of nanoelectronics and spintronics due to its exceptional electronic properties. However, pristine graphene has no band gap, a feature needed in building some of the electronic elements. Recently, a growing attention has been given to a class of carbon allotropes of graphene with honeycomb structures, in particular to graphyne and graphdiyne. They are characterized with a single and double acetylene bonding chains respectively, connecting the nearest-neighbor hexagonal rings. With an electron density comparable to that of graphene and a prominent gap in electronic band structures they appear as promising materials for nanoelectronic components. We studied the electronic structure and transport of infinite sheets of graphyne and graphdiyne and compared them with graphene. The method based on the non-equilibrium Green functions and density functional theory has been used in order to obtain a full ab initio self-consistent description of the transport current with different electrochemical bias potentials. The current/voltage (I/V) characteristics show a semi-conducting behavior with prominent nonlinearities at higher voltages. The calculated band gaps are 0.52V and 0.59V, respectively, and the effective masses are considerably smaller compared to typical semiconductors. We analyzed the results in terms of transmission eigenchannels and showed that the difference in conductance is directly related to the difference of the internal structure of the allotropes.

Keywords: electronic transport, graphene-like structures, nanoelectronics, two-dimensional materials

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Authors: N. Boshkova, K. Kamburova, N. Tabakova, N. Boshkov, Ts. Radeva

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Coatings based on polyaniline (PANI) can improve the resistance of steel against corrosion. In this work, the preparation of stable suspensions of colloidal PANI-SiO₂ particles, suitable for obtaining of composite anticorrosive coating on steel, is described. Electrokinetic data as a function of pH are presented, showing that the zeta potentials of the PANI-SiO₂ particles are governed primarily by the charged groups at the silica oxide surface. Electrosteric stabilization of the PANI-SiO₂ particles’ suspension against aggregation is realized at pH>5.5 (EB form of PANI) by adsorption of positively charged polyelectrolyte molecules onto negatively charged PANI-SiO₂ particles. The PANI-SiO₂ particles are incorporated by electrodeposition into the metal matrix of zinc in order to obtain composite (hybrid) coatings. The latter are aimed to ensure sacrificial protection of steel mainly in aggressive media leading to local corrosion damages. The surface morphology of the composite zinc coatings is investigated with SEM. The influence of PANI-SiO₂ particles on the cathodic and anodic processes occurring in the starting electrolyte for obtaining of the coatings is followed with cyclic voltammetry. The electrochemical and corrosion behavior is evaluated with potentiodynamic polarization curves and polarization resistance measurements. The beneficial effect of the stabilized PANI-SiO₂ particles for the increased protective ability of the composites is commented and discussed.

Keywords: corrosion, polyaniline-silica particles, zinc, protective ability

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Authors: Yu-Chen Luo, Wan-Tzu Yen, I-Ping Liu, Po-Hsuan Yeh, Yuh-Lang Lee

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The use of a Pt electrode leads to high catalytic efficiency in the ethanol electro-oxidation. However, the carbon monoxide (CO) released in the reaction will poison the Pt surfaces, lowering the electrocatalytic activity. In this study, composite electrodes are prepared to overcome the poisoning issue, and the related electro-oxidation behaviors are studied by surface-enhanced infrared absorption spectroscopy (SEIRAS) and cyclic voltammetry (CV). An electroless plating method is utilized to deposit Pt catalytic layers on the Pd film-coated FTO substrates. According to the SEIRAS spectra, the carbon dioxide signal of the Pt/Pd composite electrode is larger than that of the Pt one, whereas the CO signal of the composite electrode is relatively smaller. This result suggests that the studied Pt/Pd electrode has a better ability against CO poisoning. The CV analyses are conducted in alkaline environments, and current densities related to the ethanol oxidation in the forward scan (If) and to the CO poisoning in the backward scan (Ib) are measured. A higher ratio of If to Ib (If/Ib) usually represents a better ability against the poisoning effect. The If/Ib values are 2.53 and 2.07 for the Pt and Pt/Pd electrodes, respectively, which is possibly attributed to the increasing ability of CO adsorption of Pt electrode. Despite the lower If/Ib, the Pt/Pd composite electrode shows a higher ethanol oxidation performance in the alkaline system than the Pt does. Furthermore, its stability is also superior.

Keywords: cyclic voltammogram, electroless deposition, ethanol electro-oxidation, surface-enhanced infrared absorption spectroscopy

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Authors: Opeyemi Atiba-Oyewo, Taile Y. Leswfi, Maurice S. Onyango, Christian Wolkersdorfer

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This paper describes the preparation of surface modified montmorillonite using hexadecyltrimethylammonium bromide (HDTMA-Br) for the removal of vanadium from mine water. The adsorbent before and after adsorption was characterised by Fourier transform infra-red (FT-IR), X-ray diffraction (XRD) and scanning electron microscopy (SEM), while the amount of vanadium adsorbed was determined by ICP-OES. The batch adsorption method was employed using vanadium concentrations in solution ranging from 50 to 320 mg/L and vanadium tailings seepage water from a South African mine. Also, solution pH, temperature and sorbent mass were varied. Results show that the adsorption capacity was affected by solution pH, temperature, sorbent mass and the initial concentration. Electrical conductivity of the mine water before and after adsorption was measured to estimate the total dissolved solids in the mine water. Equilibrium isotherm results revealed that vanadium sorption follows the Freundlich isotherm, indicating that the surface of the sorbent was heterogeneous. The pseudo-second order kinetic model gave the best fit to the kinetic experimental data compared to the first order and Elovich models. The results of this study may be used to predict the uptake efficiency of South Africa montmorillonite in view of its application for the removal of vanadium from mine water. However, the choice of this adsorbent for the uptake of vanadium or other contaminants will depend on the composition of the effluent to be treated.

Keywords: adsorption, vanadium, modified montmorillonite, equilibrium, kinetics, mine water

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Authors: Fatimah Al-Hayazi, Ehteram. A. Noor, Aisha H. Moubaraki

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The inhibitive effect of Securigera securidaca seed extract (SSE) on mild steel corrosion in 1 M HCl solution has been studied by weight loss and electrochemical techniques at four different temperatures. All techniques studied provided data that the studied extract does well at all temperatures, and its inhibitory action increases with increasing its concentration. SEM images indicate thin-film formation on mild steel when corroded in solutions containing 1 g L-1 of inhibitor either at low or high temperatures. The polarization studies showed that SSE acts as an anodic inhibitor. Both polarization and impedance techniques show an acceleration behaviour for SSE at concentrations ≤ 0.1 g L-1 at all temperatures. At concentrations ≥ 0.1 g L-1, the efficiency of SSE is dramatically increased with increasing concentration, and its value does not change appreciably with increasing temperature. It was found that all adsorption data obeyed Temkin adsorption isotherm. Kinetic activation and thermodynamic adsorption parameters are evaluated and discussed. The results revealed an endothermic corrosion process with an associative activation mechanism, while a comprehensive adsorption mechanism for SSE on mild steel surfaces is suggested, in which both physical and chemical adsorption are involved in the adsorption process. A good correlation between inhibitor constituents and their inhibitory action was obtained.

Keywords: corrosion, inhibition of steel, hydrochloric acid, thermodynamic study

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Authors: Xin Zhao. Xuerong Zheng. Andrey L. Rogach

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Using single metal atoms has been considered an efficient way to develop new HER and OER catalysts. MXenes, a class of two-dimensional materials, have attracted tremendous interest as promising substrates for single-atom metal catalysts. However, there is still a lack of systematic investigations on the interaction mechanisms between various MXenes substrates and single atoms. Besides, due to the poor interaction between metal atoms and substrates resulting in low loading and stability, dual-atom MXenes-based catalysts have not been successfully synthesized. We summarized the electrocatalytic enhancement mechanism of three MXenes-based single-atom catalysts through experimental and theoretical results demonstrating the stronger hybridization between Co 3d and surface-terminated O 2p orbitals, optimizing the electronic structure of Co single atoms in the composite. This, in turn, lowers the OER and HER energy barriers and accelerates the catalytic kinetics in the case of the Co@V2CTx composite. The poor interaction between single atoms and substrates can be improved by a surface modification to synthesize dual-atom catalysts. The synergistic electronic structure enhances the stability and electrocatalytic activity of the catalyst. Our study provides guidelines for designing single-atom and dual-atom MXene-based electrocatalysts and sheds light on the origins of the catalytic activity of single-atoms on MXene substrates.

Keywords: dual-atom catalyst, single-atom catalyst, MXene substrates, water splitting

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Authors: Chaoqun Tan, Naiyun Gao, Xiaoyan Xin

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Perxymonosulfate (PMS)-based oxidation processes, as an alternative of hydrogen peroxide-based oxidation processes, are more and more popular because of reactive radical species (SO4-•, OH•) produced in systems. Magnetic nano-scaled particles Fe3O4 and ferrous anion (Fe2+) were studied for the activation of PMS for degradation of acetaminophen (APAP) in water. The Fe3O4 MNPs were found to effectively catalyze PMS for APAP and the reactions well followed a pseudo-first-order kinetics pattern (R2 > 0.95), while the degradation of APAP in PMS-Fe2+ system proceeds through two stages: a fast stage and a much slower stage. Within 5 min, approximately 7% and 18% of 10 ppm APAP was accomplished by 0.2 mM PMS in Fe3O4 (0.8g/L) and Fe2+ (0.1mM) activation process. However, as reaction proceed to 120 min, approximately 75% and 35% of APAP was removed in Fe3O4 activation process and Fe2+ activation process, respectively. Within 120 min, the mineralization of APAP was about 7.5% and 5.0% (initial APAP of 10 ppm and [PMS]0 of 0.2 mM) in Fe3O4-PMS and Fe2+-PMS system, while the mineralization could be greatly increased to about 31% and 40% as [PMS]0 increased to 2.0 mM in in Fe3O4-PMS and Fe2+-PMS system, respectively. At last, the production of reactive radical species were validated directly from Electron Paramagnetic Resonance (ESR) tests with 0.1 M 5,5-dimethyl-1-pyrrolidine N-oxide (DMPO). Plausible mechanisms on the radical generation from Fe3O4 and Fe2+ activation of PMS are proposed on the results of radial identification tests. The results demonstrated that Fe3O4 MNPs activated PMS and Fe2+ anion activated PMS systems are promising technologies for water pollution caused by contaminants such as pharmaceutical. Fe3O4-PMS system is more suitable for slowly remediation, while Fe2+-PMS system is more suitable for fast remediation.

Keywords: acetaminophen, peroxymonosulfate, radicals, Fe3O4

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Authors: Gargi Ghoshal, Ashay Jain

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Microencapsulation of β-carotene was optimized by complex coacervation technique using casein/gum tragacanth (CAS/GT) coating as a function of pH, initial protein to polysaccharide mixing ratio (Pr:Ps), total biopolymer concentration, core material load, zeta potential, and ionic strength. This study was aimed to understand the influence of experimental parameters on the coacervation kinetics, the coacervate yield, and entrapment efficiency. At a Pr:Ps = 2:1, an optimum pH of complex coacervation was found 4.35, at which the intensity of electrostatic interaction was maximum. At these ratios of coating, the phase separation occurred the fastest and the final coacervate yield and entrapment efficiency was the highest. Varying the Pr: Ps shifted the value of optimum pH. This incident was due to the level of charge compensation of the CAS/GT complexes. Finally, electrostatic interaction and formation of coacervates between CAS and GT were confirmed by Fourier transform infra-red (FTIR) spectra. The size and surface properties of coacervates were studied using scanning electron microscopy (SEM). The resultant formulation (β-carotene loaded microcapsules) was evaluated for in vitro release study and antioxidant activity. Stability of encapsulated β-carotene was also evaluated under three levels of temperature (5, 25 and 40 °C) for 3 months. Encapsulation strongly increased the stability of micronutrients. Our results advocate potential of microcapsules as a novel carrier for the safeguard and sustained release of micronutrient.

Keywords: β-carotene, casein, complex coacervation, controlled release, gum tragacanth, microcapsules

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Authors: K. Kamburova, N. Boshkova, N. Boshkov, T. Radeva

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Coatings based on polyaniline (PANI) can improve the resistance of steel against corrosion. Two forms of PANI are generally accepted to have effective protection of steel: the conducting emeraldine salt (ES) and the non-conducting emeraldine base (EB). The ability to intercept electrons at the metal surface and to transport them is typically attributed to ES, while the success of EB as an anticorrosive additive in the coating is attributed to its ability to oxidize and reduce in a reversible way. This electrochemical mechanism is probably combined with barrier effect against corrosion species. In this work, we describe the preparation of stable suspensions of colloidal PANI-SiO₂ particles, suitable for obtaining of composite anticorrosive coating on steel. Electrokinetic data as a function of pH are presented, showing that the zeta potentials of the PANI-SiO₂ particles are governed primarily by the charged groups at the silica oxide surface. Electrosteric stabilization of the PANI-SiO₂ particles’ suspension against aggregation is realized at pH > 5.5 (EB form of PANI) by adsorption of positively charged polyelectrolyte molecules onto negatively charged PANI-SiO₂ particles. We anticipate that incorporation of the small particles will provide a more homogeneous distribution in the coating matrix and will decrease the negative effect on barrier properties of the composite coating.

Keywords: particles, stable dispersion, composite coatings, corrosion protection

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Authors: Teklay Gebrecherkos, Mahmud Abdulkader, Tobias Rinke De Wit, Britta C. Urban, Feyissa Chala, Yazezew Kebede, Dawit Welday

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Background: C-reactive protein (CRP) levels are a reliable surrogate for interleukin-6 bioactivity that plays a pivotal role in the pathogenesis of cytokine storm associated with severe COVID-19. There is a lack of data on the role of CRP as a determinant of COVID-19 severity status in the African context. Methods: We determined the longitudinal kinetics of CRP levels on 78 RT-PCR-confirmed COVID-19 patients (49 non-severe and 29 severe cases) and 50 PCR-negative controls. Results: COVID-19 patients had overall significantly elevated CRP at baseline when compared to PCR-negative controls [median 11.1 (IQR: 2.0-127.8) mg/L vs. 0.9 (IQR: 0.5-1.9) mg/L; p=0.0004)]. Moreover, severe COVID-19 patients had significantly higher median CRP levels than non-severe cases [166.1 (IQR: 48.6-332.5) mg/L vs. 2.4 (IQR: 1.2-7.6) mg/L; p<0.00001)]. In addition, persistently elevated levels of CRP were exhibited among those with comorbidities and higher age groups. Area under receiver operating characteristic curve (AUC) analysis of CRP levels distinguished PCR-confirmed COVID-19 patients from the ones with PCR-negative non-COVID-19 individuals, with an AUC value of 0.77 (95% CI: 0.68-0.84; p=0.001). Moreover, it clearly distinguished severe from non-severe COVID-19 patients, with an AUC value of 0.83 (95% CI: 0.73-0.91). After adjusting for age and the presence of comorbidities, CRP levels above 30 mg/L were significantly associated with an increased risk of developing severe COVID-19 (adjusted relative risk 3.99 (95%CI: 1.35-11.82; p=0.013). Conclusions: Determining CRP levels in COVID-19 patients in African settings may provide a simple, prompt, and inexpensive assessment of the severity status at baseline and monitoring of treatment outcomes.

Keywords: CRP, COVID-19, SARS-CoV-2, biomarker

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Authors: Angelina Chiglintseva, Vladislav Shagapov

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We know from the geological data that quite sufficient gas reserves are concentrated in hydrates that occur on the Earth and on the ocean floor. Therefore, the development of these sources of energy and the storage of large reserves of gas hydrates is an acute global problem. An advanced technology for utilizing gas is to store it in a gas-hydrate state. Under natural conditions, storage facilities can be established, e.g., in underground reservoirs, where quite large volumes of gas can be conserved compared with reservoirs of pure gas. An analysis of the available experimental data of the kinetics and the mechanism of the gas-hydrate formation process shows the self-conservation effect that allows gas to be stored at negative temperatures and low values of pressures of up to several atmospheres. A theoretical model has been constructed for the gas-hydrate reservoir that represents a unique natural chemical reactor, and the principal possibility of the full extraction of gas from a hydrate due to the thermal reserves of the reservoirs themselves and the surrounding rocks has been analyzed. The influence exerted on the evolution of a gas hydrate reservoir by the reservoir thicknesses and the parameters that determine its initial state (a temperature, pressure, hydrate saturation) has been studied. It has been established that the shortest time of exploitation required by the reservoirs with a thickness of a few meters for the total hydrate decomposition is recorded in the cyclic regime when gas extraction alternated with the subsequent conservation of the gas hydrate deposit. The study was performed by a grant from the Russian Science Foundation (project No.15-11-20022).

Keywords: conservation, equilibrium state, gas hydrate reservoir, rocks

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Authors: Milad Alizadeh Galdiani, Navid Sabet, Mohamad Ali Mohit, Fatemeh Palizdar

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Railway as one of the most important transportation modes, passes through ‎various areas with different conditions ‎inevitably, and in many countries such as ‎China, United States, Australia, and Iran, it passes through sandy ‎desert areas. One ‎of the main problems in these areas is the movement of sand, causing various ‎damages ‎to ballasted railway track such as corrosion in the railway fastening system. ‎The soil composition of some desert areas like Fahraj in Iran consists of sand ‎and ‎salt. Due to the movement of sand and corrosive ions of salt, the fastening system ‎of the railway is ‎corroded, which, in turn, reduces the thickness of the components ‎and their life span.‎ In this research, the Nano-coating for fastening system of ‎the railway is ‎introduced, and its performance has been investigated in both ‎laboratory and field tests. The Nano-coating of ‎the fastening system consists of zinc-rich, epoxy, polyurethane, and additive, which is produced through ‎Nano ‎technology. This layer covers the surface of the fastening system and ‎prohibits the chemical reactions, which result in ‎corrosion. The results of ‎Electrochemical Impedance Spectroscopy (EIS) ‎indicate that corrosion resistance ‎increases 315 times by using nano-coating, salt spray test results demonstrate that ‎nano-coated components remained intact after 1000 hours.‎

Keywords: ballasted railway, Nano-coating, railway fastening system, sandy desert

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Authors: Mohammadjavad Palimi, D. Y. Li, E. Kuru

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Emulsion-based drilling fluids containing mineral oil are commonly used for drilling operations, which generate a lubricating film to prevent direct contact between moving metal parts, thus reducing friction, wear, and corrosion. For long-lasting lubrication, the thin lubricating film formed on the metal surface should possess good anti-wear and anti-corrosion capabilities. This study aims to investigate the effects of two additives, TERGITOL NP-9 and PEG-10 oleyl phosphate, acting as surfactant and corrosion inhibitor, respectively, on the tribo-corrosion behavior of 1018 carbon steel immersed in 5% KCl solution at room temperature. A pin-on-disc tribometer attached to an electrochemical system was used to investigate the corrosive wear of the steel immersed in emulsion-based fluids containing the surfactant and corrosion inhibitor. The wear track, surface chemistry and composition of the protective film formed on the steel surface were analyzed with an optical profilometer, SEM, and SEM-EDX. Results of the study demonstrate that the performance of the emulsion-based drilling fluids was significantly improved by the corrosion inhibitor by a remarkable reduction in corrosion, coefficient of friction (COF) and wear.

Keywords: corrosion inhibitor, emulsion-based drilling fluid, tribo-corrosion, friction, wear

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Authors: Jerman Madonsela, Wallace Matizamhuka, Akiko Yamamoto, Ronald Machaka, Brendon Shongwe

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In this study, biocompatibility evaluation of nanostructured near beta Ti-24Nb-4Zr-8Sn (Ti2448) alloy with non-toxic elements produced utilizing Spark plasma sintering (SPS) of very fine microsized powders attained through mechanical alloying was performed. The results were compared with pure titanium and Ti-6Al-4V (Ti64) alloy. Cell proliferation test was performed using murine osteoblastic cells, MC3T3-E1 at two cell densities; 400 and 4000 cells/mL for 7 days incubation. Pure titanium took a lead under both conditions suggesting that the presence of other oxide layers influence cell proliferation. No significant difference in cell proliferation was observed between Ti64 and Ti2448. Potentiodynamic measurement in Hanks, 0.9% NaCl and cell culture medium showed no distinct difference on the anodic polarization curves of the three alloys, indicating that the same anodic reaction occurred on their surface but with different rates. However, Ti2448 showed better corrosion resistance in cell culture medium with a slightly lower corrosion rate of 2.96 nA/cm2 compared to 4.86 nA/cm2 and 5.62 nA/cm2 of Ti and Ti64 respectively. Ti2448 adsorbed less protein as compared to Ti and Ti64 though no notable difference in surface wettability was observed.

Keywords: biocompatibility, osteoblast, corrosion, surface wettability, protein adsorption

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Authors: Dada Kolawole Segun

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Transdermal drug delivery has gained popularity as a non-invasive method for controlled drug release compared to traditional delivery routes. Dissolvable transdermal patches have emerged as a promising platform for delivering a variety of drugs due to their ease of use. The objective of this research was to create and characterize dissolvable transdermal patches using various compositions and ratios of hyaluronic acid and zinc oxide nanoparticles. A micromolding technique was utilized to fabricate the patches, which were subsequently characterized using scanning electron microscopy, atomic force microscopy, and tensile strength testing. In vitro drug release studies were conducted to evaluate the drug release kinetics of the patches. The study found that the mechanical strength and dissolution properties of the patches were influenced by the hyaluronic acid and zinc oxide nanoparticle ratios used in the fabrication process. Moreover, the patches demonstrated controlled delivery of model drugs through the skin, highlighting their potential for transdermal drug delivery applications. The results suggest that dissolvable transdermal patches can be tailored to meet specific requirements for drug delivery applications using different compositions and ratios of hyaluronic acid and zinc oxide nanoparticles. This development has the potential to improve treatment outcomes and patient compliance in various therapeutic areas.

Keywords: transdermal drug delivery, characterization, skin permeation, biodegradable materials

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Authors: Jeet Vijay Sah, Alphonsa Joseph, Pravin Kumari Dwivedi, Ghanshyam Jhala, Subroto Mukherjee

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AISI 304 is known for its corrosion resistance which comes from Cr that forms passive Cr₂O₃ on the surface. But its poor hardness makes it unsuitable for applications where the steel also requires high wear resistance. This can be improved by surface hardening using nitrocarburizing processes, which form ε-Fe2-3N, γ’-Fe4N, nitrides, and carbides of Cr and Fe on the surface and subsurface. These formed phases give the surface greater hardness, but the corrosion resistance drops because of the lack of Cr2O3 passivation as a result. To overcome this problem, plasma nitrocarburizing processes are being developed where the process temperatures are kept below 723 K to avoid Cr-N precipitation. In the presented work, low-temperature pulsed-DC plasma nitrocarburizing utilizing a discharge of N₂-H₂-C₂H₂ at 500 Pa with varying N₂:H₂ ratios was conducted on AISI 304 samples at 673 K. The process durations were also varied, and the samples were characterized by microindentation using Vicker’s hardness tester, corrosion resistances were established from electrochemical impedance studies, and corrosion potentials and corrosion currents were obtained by potentiodynamic polarization testing. XRD revealed S-phase, which is a supersaturated solid solution of N and C in the γ phase. The S-phase was observed to be composed of the expanded phases of γ; γN, γC, and γ’N and ε’N phases. Significant improvement in surface hardness was achieved after every process, which is attributed to the S-phase. Corrosion resistance was also found to improve after the processes. The samples were also characterized by XPS, SEM, and GDOES.

Keywords: AISI 304, surface engineering, nitrocarburizing, S-phase

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Authors: Peikun Zhang, Chunhua Cui

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Photoelectrochemical (PEC) water splitting provides a promising pathway to convert solar energy into renewable fuels. However, the main and seemingly insurmountable obstacle is that the sluggish kinetics of oxygen evolution reaction (OER) severely jeopardizes the overall efficiency, thus exploring highly active, stable, and appreciable catalysts is urgently requested. Herein a competitive coordination strategy was demonstrated to form a reversible hybrid homo-heterogeneous catalyst for efficient OER in alkaline media. The dynamic process involves an in-situ anchoring of soluble nickel–bipyridine pre-catalyst to a conductive substrate under OER and a re-dissolution course under open circuit potential, induced by the competitive coordination between nickel–bipyridine and nickel-hydroxyls. This catalyst allows to elaborately self-modulate a charge-transfer layer thickness upon the catalytic on-off operation, which affords substantially increased active sites, yet remains light transparency, and sustains the stability of over 200 hours of continuous operation. The integration of this catalyst with exemplified state-of-the-art Ni-sputtered Si photoanode can facilitate a ~250 mV cathodic shift at a current density of 20 mA cm-2. This finding helps the understanding of catalyst from a “dynamic” perspective, which represents a viable alternative to address remaining hurdles toward solar-driven water oxidation.

Keywords: molecular catalyst, oxygen evolution reaction, solar energy, transition metal complex, water splitting

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Authors: Bharat Kumar, Deepak Kumar, Vijay Chaudhry

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Zirconium alloys are used as core components of nuclear reactors due to their high wear resistance, good corrosion properties, and good mechanical stability at high temperatures. Water flows inside the pressure tube through fuel claddings, which produces vibration of these core components and results in the wear of some components. Some components are subjected to the environment of coolant water containing LiOH which results in the corrosion of these components. The present work simulates some of these conditions to determine the failure mechanisms under these conditions and the effect of various parameters on them. Friction and wear experiments were performed varying the surrounding environment (room temperature, high temperature, and water submerged), duration, frequency, and displacement amplitude. Electrochemical corrosion experiments were performed by varying the concentration of LiOH in water. The worn and corroded surfaces were analyzed using scanning electron microscopy (SEM) to analyze the wear and corrosion mechanism and energy dispersive x-ray spectroscopy (EDS) and Raman spectroscopy to analyze the tribo-oxide layer formed during the wear and oxide layer formed during the corrosion. Wear increases with frequency and amplitude, and corrosion increases with LiOH concentration in water.

Keywords: zirconium alloys, wear, oxide layer, corrosion, EIS, linear polarization

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Authors: Zohreh Derikvand, Hadis Cheraghi, Azadeh Azadbakht, Vaclav Eigner, Michal Dusek

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Two new one and two dimensional metal organic coordination polymers of Cu(II), [Cu(3-nph)2(H2O)2pz]n (1) and Ag(I), {[Ag(3-nph)pz].H2O}n (2) with pyrazine (pz) and 3- nitrophthalic acid (3-nph) have been synthesized and characterized by elemental analysis, spectral (IR, UV-Vis), thermal (TG/DTG) analysis and single crystal X-ray diffraction. We used these compounds to preparation modified electrode with Au/Pt nanosparticles in order to investigation electrochemistry and electrocatalysis activities. The surface structure and composition of the sensor were characterized by scanning electron microscopy (SEM). The Ag(I) coordination polymer shows a 2D layer structure constructed from dinuclear silver (I) building blocks in which two crystallographically Ag+ ions are connected to each other by a covalent bond. The pyrazine ligands adopt μ2 bridging modes, linking the metal centers into a one and two -dimensional coordination framework in 1 and 2. The two AgI cations are surrounded by pyrazine and 3-nitrophthalate mono anions and indicate distorted tetrahedral geometry. In the crystal structures of Ag(I) complex there are non-classical hydrogen bonding arrangements, C–O•••π and π–π stacking interactions. In Cu(II) coordination polymer, the coordination geometry around Cu(II) atom is a distorted octahedron. Interestingly, the structural analysis illustrates that the strong and weak hydrogen bond accompanied with C–H•••π and C–O•••π stacking interactions assemble the crystal structure of 1 and 2 into fascinating 3D supramolecular architecture.

Keywords: 3-nithrophethalic acid, crystal structure, coordination polymer, electrocatalysis

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Authors: Muna K. Abbass, Laith A. Mohammed, Muntaha K. Abbas

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The oxidation of Al-Li base alloy containing small amounts of rare earth (RE) oxides such as 0.2 wt% Y2O3 and 0.2wt% Nd2O3 particles have been studied at temperatures: 400ºC, 500ºC and 550°C for 60hr in a dry air. Alloys used in this study were prepared by melting and casting in a permanent steel mould under controlled atmosphere. Identification of oxidation kinetics was carried out by using weight gain/surface area (∆W/A) measurements while scanning electron microscopy (SEM) and x-ray diffraction analysis were used for micro structural morphologies and phase identification of the oxide scales. It was observed that the oxidation kinetic for all studied alloys follows the parabolic law in most experimental tests under the different oxidation temperatures. It was also found that the alloy containing 0.2 wt %Y 2O3 particles possess the lowest oxidation rate and shows great improvements in oxidation resistance compared to the alloy containing 0.2 wt % Nd2O3 particles and Al-Li base alloy. In this work, Taguchi method is performed to estimate the optimum weight gain /area (∆W/A) parameter in oxidation process of Al-Li base alloys to obtain a minimum thickness of oxidation layer. Taguchi method is used to formulate the experimental layout, to analyses the effect of each parameter (time, temperature and alloy type) on the oxidation generation and to predict the optimal choice for each parameter and analyzed the effect of these parameters on the weight gain /area (∆W/A) parameter. The analysis shows that, the temperature significantly affects on the (∆W/A) parameter.

Keywords: Al-Li base alloy, oxidation, Taguchi method, temperature

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Authors: J. B. Minari, O. B. Oloyede

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Polymorphonuclear neutrophils (PMNs) play a crucial role in a variety of infections caused by bacteria, fungi, and parasites. Indeed, the involvement of PMNs in host defence against Plasmodium falciparum is well documented both in vitro and in vivo. Many of the antimalarial drugs such as chloroquine used in the treatment of human malaria significantly reduce the immune response of the host in vitro and in vivo. Myeloperoxidase is the most abundant enzyme found in the polymorphonuclear neutrophil which plays a crucial role in its function. This study was carried out to investigate the effect of chloroquine on the enzyme. In investigating the effects of the drug on myeloperoxidase, the influence of concentration, pH, partition ratio estimation and kinetics of inhibition were studied. This study showed that chloroquine is concentration-dependent inhibitor of myeloperoxidase with an IC50 of 0.03 mM. Partition ratio estimation showed that 40 enzymatic turnover cycles are required for complete inhibition of myeloperoxidase in the presence of chloroquine. The influence of pH on the effect of chloroquine on the enzyme showed significant inhibition of myeloperoxidase at physiological pH. The kinetic inhibition studies showed that chloroquine caused a non-competitive inhibition with an inhibition constant Ki of 0.27mM. The results obtained from this study shows that chloroquine is a potent inhibitor of myeloperoxidase and it is capable of inactivating the enzyme. It is therefore considered that the inhibition of myeloperoxidase in the presence of chloroquine as revealed in this study may partly explain the impairment of polymorphonuclear neutrophil and consequent immunosuppression of the host defence system against secondary infections.

Keywords: myeloperoxidase, chloroquine, inhibition, neutrophil, immune

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Authors: M. I. Benamrani, H. Benamrani

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In the research to replace silicon and other thin-film semiconductor technologies and to develop long-term technology that is environmentally friendly, low-cost, and abundant, there is growing interest today given to organic materials. Our objective is to prepare polymeric layers containing metal particles deposited on a surface of semiconductor material which can have better electrical properties and which could be applied in the fields of nanotechnology as an alternative to the existing processes involved in the design of electronic circuits. This work consists in the development of composite materials by complexation and electroreduction of copper in a film of poly (pyrrole benzoic acid). The deposition of the polymer film on a monocrystalline silicon substrate is made by electrochemical oxidation in an organic medium. The incorporation of copper particles into the polymer is achieved by dipping the electrode in a solution of copper sulphate to complex the cupric ions, followed by electroreduction in an aqueous solution to precipitate the copper. In order to prepare the monocrystalline silicon substrate as an electrode for electrodeposition, an in-depth study on its surface state was carried out using photoacoustic spectroscopy. An analysis of the optical properties using this technique on the effect of pickling using a chemical solution was carried out. Transmission-photoacoustic and impedance spectroscopic techniques give results in agreement with those of photoacoustic spectroscopy.

Keywords: photoacoustic, spectroscopy, copper sulphate, chemical solution

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Authors: L. Al Ahmad, C. Latrille, D. Hainos, D. Blanc, M. Clausse

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A two-dimensional finite volume axisymmetric model is developed to predict the simultaneous heat and mass transfers during the drying of industrial sludge. The simulations were run using COMSOL-Multiphysics 3.5a. The input parameters of the numerical model were acquired from a preliminary experimental work. Results permit to establish correlations describing the evolution of the various parameters as a function of the drying temperature and the sludge water content. The selection and coupling of the equation are validated based on the drying kinetics acquired experimentally at a temperature range of 45-65 °C and absolute pressure range of 200-1000 mbar. The model, incorporating the heat and mass transfer mechanisms at different operating conditions, shows simulated values of temperature and water content. Simulated results are found concordant with the experimental values, only at the first and last drying stages where sludge shrinkage is insignificant. Simulated and experimental results show that sludge drying is favored at high temperatures and low pressure. As experimentally observed, the drying time is reduced by 68% for drying at 65 °C compared to 45 °C under 1 atm. At 65 °C, a 200-mbar absolute pressure vacuum leads to an additional reduction in drying time estimated by 61%. However, the drying rate is underestimated in the intermediate stage. This rate underestimation could be improved in the model by considering the shrinkage phenomena that occurs during sludge drying.

Keywords: industrial sludge drying, heat transfer, mass transfer, mathematical modelling

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Authors: Shyam Ranjan Kumar, Shashikant Rajpal

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Zinc Telluride (ZnTe) is a binary II-VI direct band gap semiconducting material. This semiconducting material has several applications in sensors, photo-electrochemical devices and photovoltaic solar cell. In this study, Zinc telluride (ZnTe) thin films were deposited on nickel substrate by electrodeposition technique using potentiostat/galvanostat at -0.85 V using AR grade of Zinc Chloride (ZnCl2), Tellurium Tetrachloride (TeCl4) in non-aqueous bath. The developed films were physically stable and showed good adhesion. The as deposited ZnTe films were annealed at 400ºC in air. The solid state properties and optical properties of the as deposited and annealed films were carried out by XRD, EDS, SEM, AFM, UV–Visible spectrophotometer, and photoluminescence spectrophotometer. The diffraction peak observed at 2θ = 49.58° with (111) plane indicate the crystalline nature of ZnTe film. Annealing improves the crystalline nature of the film. Compositional analysis reveals the presence of Zn and Te with tellurium rich ZnTe film. SEM photograph at 10000X shows that grains of film are spherical in nature and densely distributed over the surface. The average roughness of the film is measured by atomic force microscopy and it is nearly equal to 60 nm. The direct wide band gap of 2.12 eV is observed by UV-Vis spectroscopy. Luminescence peak of the ZnTe films are also observed in as deposited and annealed case.

Keywords: annealing, electrodeposition, optical properties, thin film, XRD, ZnTe

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Authors: Ross Lee, Pritpal Singh, Andrew Jester

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As the world transitions to a more sustainable energy economy, the deployment of energy storage technologies is expected to increase to develop a more resilient grid system. However, current technologies are associated with various environmental and safety issues throughout their entire lifecycle; therefore, new battery technology is necessary for grid applications to curtail these risks. Biological cells, such as human neurons and electrolytes in the electric eel, can serve as a more sustainable design template for a new bio-inspired (i.e., biomimetic) battery. Within biological cells, an electrochemical gradient across the cell membrane forms the membrane potential, which serves as the driving force for ion transport into/out of the cell, akin to the charging/discharging of a battery cell. This work serves as the first step to developing such a biomimetic battery cell, starting with the fabrication and characterization of ion-selective membranes to facilitate ion transport through the cell. Performance characteristics (e.g., cell voltage, power density, specific energy, roundtrip efficiency) for the cell under investigation are compared to incumbent battery technologies and biological cells to assess the readiness level for this emerging technology. Using a Na⁺-Form Nafion-117 membrane, the cell in this work successfully demonstrated behavior similar to human neurons; these findings will inform how cell components can be re-engineered to enhance device performance.

Keywords: battery, biomimetic, electrolytes, human neurons, ion-selective membranes, membrane potential

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Authors: Kaarunya Sampathkumar, Say Chye Joachim Loo

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Oral delivery is regarded as the facile method for the administration of active pharmaceutical ingredients (API) and drug carriers. In an initiative towards sustainable nanotechnology, an oral nano-delivery system has been developed that is made entirely of food-based materials and can also act as a site-specific delivery device depending on the stimulus encountered in different parts of the gastrointestinal tract (GIT). The delivery system has been fabricated from food grade polysaccharide materials like chitosan and starch through electrospraying technique without the use of any organic solvents. A nutraceutical extracted from an Indian medicinal plant, has been loaded into the nano carrier to test its efficacy in encapsulation and stimuli based release of the active ingredient. The release kinetics of the nutraceutical from the carrier was evaluated in simulated gastric, intestinal and colonic fluid and was found to be triggered both by the enzymes and the pH in each part of the intestinal tract depending on the polysaccharide being used. The toxicity of the nanoparticles on the intestinal epithelial cells was tested and found to be relatively safe for up to 24 hours at a concentration of 0.2 mg/mL with cellular uptake also being observed. The developed nano carrier thus serves as a promising delivery vehicle for targeted delivery to different parts of the GIT with the inherent conditions of the GIT itself acting as the stimulus. In addition, being fabricated from food grade materials, the carrier could be potentially used for the targeted delivery of nutrients through functional foods.

Keywords: bioavailability, chitosan, delivery systems, encapsulation

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Authors: Magdalena Blachnio, Viktor Bogatyrov, Mariia Galaburda, Anna Derylo-Marczewska

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Agricultural waste materials from traditional oil mill and after extraction of natural raw materials in supercritical conditions were used for the preparation of carbon nanomaterials (activated carbons) by two various methods. Chemical activation using acetic acid and physical activation with a gaseous agent (carbon dioxide) were chosen as mild and environmentally friendly ones. The effect of influential factors: type of raw material, temperature and activation agent on the porous structure characteristics of the materials was discussed by using N₂ adsorption/desorption isotherms at 77 K. Furthermore scanning electron microscope (SEM), transmission electron microscope (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) were employed to examine the physicochemical properties of the obtained sorbents. Selection of a raw material and an optimization of the conditions of the synthesis process, allowed to obtain the cheap sorbents with a targeted distribution of pores enabling effective adsorption of the model organic pollutants carried out in the multicomponent systems. Adsorption behavior (capacity and rate) of the chosen activated carbons was estimated by utilizing Crystal violet (CV), 4-chlorophenoxyacetic acid (4-CPA), 2.4-dichlorophenoxyacetic acid (2.4-D) as the adsorbates. Both rate and adsorption capacity of the organics on the sorbents evidenced that the activated carbons could be effectively used in sewage treatment plants. The mechanisms of organics adsorption were studied and correlated with activated carbons properties.

Keywords: activated carbon, adsorption equilibrium, adsorption kinetics, organics adsorption

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Authors: Yongjun Ahn, Sung Gyu Choi, Seung-Yeop Kwak

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Selective removal of free fatty acid (FFA) and chlorophyll in extra virgin olive oil (EVOO) is necessary to enhance the thermal stability in the condition of the deep frying. In this work, we demonstrated improving the thermal stability of EVOO by selective removal of free fatty acid and chlorophyll using (3-Aminopropyl)trimethoxysilane (APTMS) functionalized mesoporous silica with controlled pore size. The adsorption kinetics of free fatty acid and chlorophyll into the mesoporous silica were quantitatively analyzed by Freundlich and Langmuir model. The highest chlorophyll adsorption efficiency was shown in the pore size at 5 nm, suggesting that the interaction between the silica and the chlorophyll could be optimized at this point. The amino-functionalized mesoporous silica showed drastically improved removal efficiency of FFA than the bare silica. Moreover, beneficial compounds like tocopherol and phenolic compounds maintained even after adsorptive removal. Extra virgin olive oil treated by aminopropyl-functionalized silica had a smoke point high enough to be used as commercial frying oil. Based on these results, it is expected to attract the considerable amount of interest toward facile adsorptive refining process of EVOO using pore size controlled and amino-functionalized mesoporous silica.

Keywords: mesoporous silica, extra virgin olive oil, selective adsorption, thermal stability

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Authors: Khurram Munir, Cuie Wen, Yuncang Li

Abstract:

Magnesium (Mg) metal matrix composites (MMCs) reinforced with graphene nanoplatelets (GNPs) have been developed by powder metallurgy (PM). In this study, GNPs with different concentrations (0.1-0.3 wt.%) were dispersed into Mg powders by high-energy ball-milling processes. The microstructure and resultant mechanical properties of the fabricated nanocomposites were characterized using transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), Raman spectroscopy (RS), compression and nano-wear tests. The corrosion resistance of the fabricated composites was evaluated by electrochemical tests and hydrogen evolution measurements. Finally, the biological response of Mg-GNPs composites was assessed using osteoblast-like SaOS2 cells. The results indicate that GNPs are excellent candidates as reinforcements in Mg matrices for the manufacture of biodegradable Mg-based composite implants. GNP addition improved the mechanical properties of Mg via synergetic strengthening modes. Moreover, retaining the structural integrity of GNPs during PM processing improved the ductility, compressive strength, and corrosion resistance of the Mg-GNP composites as compared to monolithic Mg. Cytotoxicity assessments did not reveal any significant toxicity with the addition of GNPs to Mg matrices. This study demonstrates that Mg-xGNPs with x < 0.3 wt.%, may constitute novel biodegradable implant materials for load-bearing applications.

Keywords: magnesium-graphene composites, strengthening mechanisms, In vitro cytotoxicity, biocorrosion

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Authors: Rimzhim Gupta, Bhanupriya Boruah, Jayant M. Modak, Giridhar Madras

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Microbial contamination is one of the major concerns in the field of water treatment. AOP (advanced oxidation processes) is well-established method to resolve the issue of removal of contaminants in water. A Z-scheme composite g-C₃N₄/CuWO₄ was synthesized by sol-gel method for the photocatalytic inactivation of a mixed population of Gram-positive bacteria (S. aureus) and Gram-negative bacteria (E. coli). The photoinactivation was observed for different types of bacteria in the same medium together and individually in the absence of the nutrients. The lattice structures and phase purities were determined by X-ray diffraction. For morphological and topographical features, scanning electron microscopy and transmission electron microscopy analyses were carried out. The band edges of the semiconductor (valence band and conduction band) were determined by ultraviolet photoelectron microscopy. The lifetime of the charge carriers and band gap of the semiconductors were determined by time resolved florescence spectroscopy and diffused reflectance spectroscopy, respectively. The effect of weight ratio of C₃N₄ and CuWO₄ was observed by performing photocatalytic experiments. To investigate the exact mechanism and major responsible radicals for photocatalysis, scavenger studies were performed. The rate constants and order of the inactivation reactions were obtained by power law kinetics. For E. coli and S. aureus, the order of reaction and rate constants are 1.15, 0.9 and 1.39 ± 0.03 (CFU/mL)⁻⁰.¹⁵ h⁻¹, 47.95 ± 1.2 (CFU/mL)⁰.¹ h⁻¹, respectively.

Keywords: z-scheme, E. coli, S. aureus, sol-gel

Procedia PDF Downloads 149