Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 406

World Academy of Science, Engineering and Technology

[Chemical and Materials Engineering]

Online ISSN : 1307-6892

406 Urinalysis by Surface-Enhanced Raman Spectroscopy on Gold Nanoparticles for Different Disease

Authors: Leonardo C. Pacheco-Londoño, Nataly J. Galan-Freyle, Lisandro Pacheco-Lugo, Antonio Acosta, Elkin Navarro, Gustavo Aroca-Martínez, Karin Rondón-Payares, Samuel P. Hernández-Rivera


In our Life Science Research Center of the University Simon Bolivar (LSRC), one of the focuses is the diagnosis and prognosis of different diseases; we have been implementing the use of gold nanoparticles (Au-NPs) for various biomedical applications. In this case, Au-NPs were used for Surface-Enhanced Raman Spectroscopy (SERS) in different diseases' diagnostics, such as Lupus Nephritis (LN), hypertension (H), preeclampsia (PC), and others. This methodology is proposed for the diagnosis of each disease. First, good signals of the different metabolites by SERS were obtained through a mixture of urine samples and Au-NPs. Second, PLS-DA models based on SERS spectra to discriminate each disease were able to differentiate between sick and healthy patients with different diseases. Finally, the sensibility and specificity for the different models were determined in the order of 0.9. On the other hand, a second methodology was developed using machine learning models from all data of the different diseases, and, as a result, a discriminant spectral map of the diseases was generated. These studies were possible thanks to joint research between two university research centers and two health sector entities, and the patient samples were treated with ethical rigor and their consent.

Keywords: SERS, Raman, PLS-DA, diseases

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405 A Simulation-Based Investigation of the Smooth-Wall, Radial Gravity Problem of Granular Flow through a Wedge-Shaped Hopper

Authors: A. F. Momin, D. V. Khakhar


Granular materials consist of particulate particles found in nature and various industries that, due to gravity flow, behave macroscopically like liquids. A fundamental industrial unit operation is a hopper with inclined walls or a converging channel in which material flows downward under gravity and exits the storage bin through the bottom outlet. The simplest form of the flow corresponds to a wedge-shaped, quasi-two-dimensional geometry with smooth walls and radially directed gravitational force toward the apex of the wedge. These flows were examined using the Mohr-Coulomb criterion in the classic work of Savage (1965), while Ravi Prakash and Rao used the critical state theory (1988). The smooth-wall radial gravity (SWRG) wedge-shaped hopper is simulated using the discrete element method (DEM) to test existing theories. DEM simulations involve the solution of Newton's equations, taking particle-particle interactions into account to compute stress and velocity fields for the flow in the SWRG system. Our computational results are consistent with the predictions of Savage (1965) and Ravi Prakash and Rao (1988), except for the region near the exit, where both viscous and frictional effects are present. To further comprehend this behaviour, a parametric analysis is carried out to analyze the rheology of wedge-shaped hoppers by varying the orifice diameter, wedge angle, friction coefficient, and stiffness. The conclusion is that velocity increases as the flow rate increases but decreases as the wedge angle and friction coefficient increase. We observed no substantial changes in velocity due to varying stiffness. It is anticipated that stresses at the exit result from the transfer of momentum during particle collisions; for this reason, relationships between viscosity and shear rate are shown, and all data are collapsed into a single curve. In addition, it is demonstrated that viscosity and volume fraction exhibit power law correlations with the inertial number and that all the data collapse into a single curve. A continuum model for determining granular flows is presented using empirical correlations.

Keywords: discrete element method, gravity flow, smooth-wall, wedge-shaped hoppers

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404 Antibacterial Activity of Nickel Oxide Composite Films with Chitosan/Polyvinyl Chloride/Polyethylene Glycol

Authors: Ali Garba Danjani, Abdulrasheed Halliru Usman


Due to the rapidly increasing biological applications and antibacterial properties of versatile chitosan composites, the effects of chitosan/polyvinyl chloride composites film were investigated. Chitosan/polyvinyl chloride films were prepared by a casting method. Polyethylene glycol (PEG) was used as a plasticizer in the blending stage of film preparation. Characterizations of films were done by Scanning Electron microscopy (SEM), Fourier transforms infrared spectroscopy (FTIR), and thermogravimetric analyzer (TGA). Chitosan composites incorporation enhanced the antibacterial activity of chitosan films against Escherichia coli and Staphylococcus aureus. The composite film produced is proposed as packaging or coating material because of its flexibility, antibacterial efficacy, and good mechanical strength.

Keywords: chitosan, polymeric nanocomposites, antibacterial activity, polymer blend

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403 poly(N-Isopropylacrylamide)-Polyvinyl Alcohol Semi-Interpenetrating Network Hydrogel for Wound Dressing

Authors: Zi-Yan Liao, Shan-Yu Zhang, Ya-Xian Lin, Ya-Lun Lee, Shih-Chuan Huang, Hong-Ru Lin


Traditional wound dressings, such as gauze, bandages, etc., are easy to adhere to the tissue fluid exuded from the wound, causing secondary damage to the wound during removal. This study takes this as the idea to develop a hydrogel dressing, to explore that the dressing will not cause secondary damage to the wound when it is torn off, and at the same time, create an environment conducive to wound healing. First, the temperature-sensitive material N-isopropylacrylamide (NIPAAm) was used as the substrate. Due to its low mechanical properties, the hydrogel would break due to pulling during human activities. Polyvinyl alcohol (PVA) interpenetrates into it to enhance the mechanical properties, and a semi-interpenetration (semi-IPN) composed of poly(N-isopropylacrylamide) (PNIPAAm) and polyvinyl alcohol (PVA) was prepared by free radical polymerization. PNIPAAm was cross-linked with N,N'-methylenebisacrylamide (NMBA) in an ice bath in the presence of linear PVA, and tetramethylhexamethylenediamine (TEMED) was added as a promoter to speed up the gel formation. The polymerization stage was carried out at 16°C for 17 hours and washed with distilled water for three days after gel formation, and the water was changed several times in the middle to complete the preparation of semi-IPN hydrogel. Finally, various tests were used to analyze the effects of different ratios of PNIPAAm and PVA on semi-IPN hydrogels. In the swelling test, it was found that the maximum swelling ratio can reach about 50% under the environment of 21°C, and the higher the ratio of PVA, the more water can be absorbed. The saturated moisture content test results show that when more PVA is added, the higher saturated water content. The water vapor transmission rate test results show that the value of the semi-IPN hydrogel is about 57 g/m²/24hr, which is not much related to the proportion of PVA. It is found in the LCST test compared with the PNIPAAm hydrogel; the semi-IPN hydrogel possesses the same critical solution temperature (30-35°C). The semi-IPN hydrogel prepared in this study has a good effect on temperature response and has the characteristics of thermal sensitivity. It is expected that after improvement, it can be used in the treatment of surface wounds, replacing the traditional dressing shortcoming.

Keywords: hydrogel, N-isopropylacrylamide, polyvinyl alcohol, hydrogel wound dressing, semi-interpenetrating polymer network

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402 Manufacturing Process of Rubber Cement Composite Paver Block

Authors: Ratnadip Natwarbhai Bhoi


The objective of this research paper is to study waste tire crumb rubber granules as a partial concrete replacement by the different percentages of facing layer thickness and without facing layer in the production of rubber cement composite paver block. The physical properties of RCCRP compressive strength, flexural strength, abrasion strength density, and water absorption testing by the IS 15658:2006 method. All these physical properties depend upon the ratio of crumb rubber uses. The result showed that the with facing layer at 15 mm, 25 mm, totally rubberized and without facing layer had little effect on compressive strength, flexural strength and abrasion resistance properties. Water absorption is also important for the service life of the product. The crumb rubber paver block also performed quite well in both compressive strength and abrasion resistance. The rubber cement composite rubber paver block is suitable for nonstructural purposes, such as being lightweight and easy installation for the walkway, sidewalks, and playing area applications.

Keywords: rubber cement, crumb rubber, composite, layer

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401 Two Coordination Polymers Synthesized from Various N-Donor Clusters Spaced by Terephtalic Acid for Efficient Photocatalytic Degradation of Ibuprofen in Water under Solar and Artificial Irradiation

Authors: Amina Adala, Nadra Debbache, Tahar Sehili


Coordination polymers and uniformly {[Zn(II)(BIPY)(Pht)]n} (1), {[Zn (HYD)(Pht)]n} (2) (BIPY = 4,4’ bipyridine, Pht = terephtalic acid, HYD = 8-hydroxyquinoline) have been successfully synthesized by a hydrothermal process using aqueous zinc solution. The as-prepared compounds phases were characterized by X-ray diffraction (XRD), Fourier Transform Infrared spectroscopy, UV-visible spectroscopy, thermogravimetric analysis (TGA), and the electrochemistry study by the voltammetry cyclic. The results showed a crystalline phase for CP1 however, CP2 requires recrystallization; the FTIR showed the presence of characteristic bands of all ligands; besides that, TGA shows thermal stability up to 300°C. The electrochemistry study showed a good charge transfer between the ligands and Zn metal for the two components. UV-Vis measurement showed strong absorption in a wide range from UV to visible light with a band gap of 2.69 eV for CP1 and 2.56 eV for CP2, smaller than that of ZnO. This represents an alternative to using ZnO. The Ibuprofen IBP decomposition kinetics of 5.10⁻⁵ mol.L⁻¹ under solar and artificial light were studied for different irradiation conditions. Good photocatalytic properties were observed due to their high surface area.

Keywords: metal-organic frameworks, photocatalysis, photodegradation, organic pollutant, ibuprofen

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400 d-Block Metal Nanoparticles Confined in Triphenylphosphine Oxide Functionalized Core-Crosslinked Micelles for the Application in Biphasic Hydrogenation

Authors: C. Joseph Abou-Fayssal, K. Philippot, R. Poli, E. Manoury, A. Riisager


The use of soluble polymer-supported metal nanoparticles (MNPs) has received significant attention for the ease of catalyst recovery and recycling. Of particular interest are MNPs that are supported on polymers that are either soluble or form stable colloidal dispersion in water, as this allows to combine of the advantages of the aqueous biphasic protocol with the catalytical performances of MNPs. The objective is to achieve good confinement of the catalyst in the nanoreactor cores and, thus, a better catalyst recovery in order to overcome the previously witnessed MNP extraction. Inspired by previous results, we are interested in the design of polymeric nanoreactors functionalized with ligands able to solidly anchor metallic nanoparticles in order to control the activity and selectivity of the developed nanocatalysts. The nanoreactors are core-crosslinked micelles (CCM) synthesized by reversible addition-fragmentation chain transfer (RAFT) polymerization. Varying the nature of the core-linked functionalities allows us to get differently stabilized metal nanoparticles and thus compare their performance in the catalyzed aqueous biphasic hydrogenation of model substrates. Particular attention is given to catalyst recyclability.

Keywords: biphasic catalysis, metal nanoparticles, polymeric nanoreactors, catalyst recovery, RAFT polymerization

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399 Study on Pd Catalyst Supported on Carbon Materials for C₂ Hydrogenation

Authors: Huanru Wang, Jianzhun Jiang


At present, the preparation of the catalyst by carbon carrier is one of the improvement directions of the C₂ pre-hydrogenation catalyst. Carbon materials can be prepared from coal direct liquefaction residues, coconut shells, biomass, etc., and the pore structure of carbon carrier materials can be adjusted through the preparation process; at high temperatures, the carbon carrier itself also shows certain catalytic activity. Therefore, this paper mainly selected typical activated carbon and coconut shell carbon as carbon carrier materials, studied their microstructure and surface properties, prepared a series of carbon-based catalysts loaded with Pd, and investigated the effects of the content of promoter Ag and the concentration of reductant on the structure and performance of the catalyst and its catalytic performance for the pre hydrogenation of C₂. In this paper, the carbon supports from two sources and the catalysts prepared by them were characterized in detail. The results showed that the morphology and structure of different supports and the performance of the catalysts prepared were also obviously different. The catalyst supported on coconut shell carbon has a small specific surface area and large pore diameter. The catalyst supported on activated carbon has a large specific surface area and rich pore structure. The active carbon support is mainly a mixture of amorphous graphite and microcrystalline graphite. For the catalyst prepared with coconut shell carbon as the carrier, the sample is very uneven, and its specific surface area and pore volume are irregular. Compared with coconut shell carbon, activated carbon is more suitable as the carrier of the C₂ hydrogenation catalyst. The conversion of acetylene, methyl acetylene, and butadiene decreased, and the ethylene selectivity increased after Ag was added to the supported Pd catalyst. When the amount of promoter Ag is 0.01-0.015%, the catalyst has relatively good catalytic performance. Ag and Pd form an alloying effect, thus reducing the effective demand for Ag. The Pd Ag ratio is the key factor affecting the catalytic performance. When the addition amount of Ag is 0.01-0.015%, the dispersion of Pd on the carbon support surface can be significantly improved, and the size of active particles can be reduced. The Pd Ag ratio is the main factor in improving the selectivity of the catalyst. When the additional amount of sodium formate is 1%, the catalyst prepared has both high acetylene conversion and high ethylene selectivity.

Keywords: C₂ hydrogenation, activated carbon, Ag promoter, Pd catalysts

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398 Synthesis, Characterization, Computational Study, Antimicrobial Evaluation, in Vivo Toxicity Study of Manganese (II) and Copper (II) Complexes with Derivative Sulfa-drug

Authors: Afaf Bouchoucha, Karima Si Larbi, Mohamed Amine Bourouaia, Salah.Boulanouar, Safia.Djabbar


The synthesis, characterization and comparative biological study of manganese (II) and copper (II) complexes with an heterocyclic ligand used in pharmaceutical field (Scheme 1), were reported. Two kinds of complexes were obtained with derivative sulfonamide, [M (L)₂ (H₂O)₂].H₂O and [M (L)₂ (Cl)₂]3H₂O. These complexes have been prepared and characterized by elemental analysis, FAB mass, ESR magnetic measurements, FTIR, UV-Visible spectra and conductivity. Their stability constants have been determined by potentiometric methods in a water-ethanol (90:10 v/v) mixture at a 0.2 mol l-1 ionic strength (NaCl) and at 25.0 ± 0.1 ºC using Sirko program. DFT calculations were done using B3LYP/6-31G(d) and B3LYP/LanL2DZ. The antimicrobial activity of ligand and complexes against the species Escherichia coli, P. aeruginosa, Klebsiella pneumoniae, S. aureus, Bacillus subtilisan, Candida albicans, Candida tropicalis, Saccharomyces, Aspergillus fumigatus and Aspergillus terreus has been carried out and compared using agar-diffusion method. Also, the toxicity study was evaluated on synchesis complexes using Mice of NMRI strain.

Keywords: hetterocyclic ligand, complex, stability constant, antimicrobial activity, DFT, acute and genotoxicity study

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397 Coordination Behavior, Theoretical studies and Biological Activity of Some Transition Metal Complexes with Oxime Ligands

Authors: Noura Kichou, Manel Tafergguenit, Nabila Ghechtouli, Zakia Hank


The aim of this work is to synthesize, characterize and evaluate the biological activity of two Ligands: glyoxime and dimethylglyoxime, and their metal Ni(II) chelates. The newly chelates were characterized by elemental analysis, IR, EPR, nuclear magnetic resonances (1H and 13C), and biological activity. The antibacterial and antifungal activities of the ligands and its metal complexes were screened against bacterial species (Staphylococcus aureus, Bacillus subtilis, and Escherichia coli) and fungi (Candida albicans). Ampicillin and amphotericin were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with parent free ligand against bacterial and fungal species. A structural, energetic, and electronic theoretical study was carried out using the DFT method, with the functional B3LYP and the gaussian program 09. A complete optimization of geometries was made, followed by a calculation of the frequencies of the normal modes of vibration. The UV spectrum was also interpreted. The theoretical results were compared with the experimental data.

Keywords: glyoxime, dimetylglyoxime, nickel, antibacterial activity

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396 Eco-Friendly Synthesis of Carbon Quantum Dots as an Effective Adsorbent

Authors: Hebat‑Allah S. Tohamy, Mohamed El‑Sakhawy, Samir Kamel


Fluorescent carbon quantum dots (CQDs) were prepared by an economical, green, and single-step procedure based on microwave heating of urea with sugarcane bagasse (SCB), cellulose (C), or carboxymethyl cellulose (CMC). The prepared CQDs were characterized using a series of spectroscopic techniques, and they had small size, strong absorption in the UV, and excitation wavelength-dependent fluorescence. The prepared CQDs were used for Pb(II) adsorption from an aqueous solution. The removal efficiency percentages (R %) were 99.16, 96.36, and 98.48 for QCMC, QC, and QSCB. The findings validated the efficiency of CQDs synthesized from CMC, cellulose, and SCB as excellent materials for further utilization in the environmental fields of wastewater pollution detection, adsorption, and chemical sensing applications. The kinetics and isotherms studied found that all CQD isotherms fit well with the Langmuir model than Freundlich and Temkin models. According to R², the pseudo-second-order fits the adsorption of QCMC, while the first-order one fits with QC and QSCB.

Keywords: carbon quantum dots, graphene quantum dots, fluorescence, quantum yield, water treatment, agricultural wastes

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395 Coordination Behavior, Theoretical Studies, and Biological Activity of Some Transition Metal Complexes with Oxime Ligands

Authors: Noura Kichou, Manel Tafergguenit, Nabila Ghechtouli, Zakia Hank


The aim of this work is to synthesize, characterize and evaluate the biological activity of two Ligands : glyoxime and dimethylglyoxime, and their metal Ni(II) chelates. The newly chelates were characterized by elemental analysis, IR, EPR, nuclear magnetic resonances (1H and 13C), and biological activity. The antibacterial and antifungal activities of the ligands and its metal complexes were screened against bacterial species (Staphylococcus aureus, Bacillus subtilis, and Escherichia coli) and fungi (Candida albicans). Ampicillin and amphotericin were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with parent free ligand against bacterial and fungal species. A structural, energetic, and electronic theoretical study was carried out using the DFT method, with the functional B3LYP and the gaussian program 09. A complete optimization of geometries was made, followed by a calculation of the frequencies of the normal modes of vibration. The UV spectrum was also interpreted. The theoretical results were compared with the experimental data.

Keywords: glyoxime, dimetylglyoxime, nickel, antibacterial activity

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394 Formation of Metallic Nuggets in Reduction Process of Coal-Composite Briquette

Authors: Chol Min Yu


The optimization of formation and growth of metallic nuggets during self-reduction of coal composite briquette (it is represented CCB here) are essential to increase the yield of valuable metals. The formation of metallic nuggets was investigated theoretically during the reduction of coal composite briquette made from stainless steel dust and coal. The formation of metallic nuggets is influenced by slag viscosity and interfacial tension between the liquid metal and the slag in the reduced product. Surface tensions of liquid metal and slag are rather strong respectively due to high basicity of its slag. Strong surface tensions of them lead to increase of interfacial tension between the liquid metal and the slag to be favorable to the growth of metallic nuggets. Viscosity of slag and interfacial tension between the liquid metal and the slag depend on temperature and composition of slag. The formation and the growth of metallic nuggets depend on carbon to oxygen ratio FC/O and temperature.

Keywords: stainless steel dust, coal-composite briquette, temperature, high basicity, interfacial tension

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393 Night Patrolling Robot for Suspicious Activity Detection

Authors: Amruta Amune, Rohit Agrawal, Yashashree Shastri, Syeda Zarah Aiman, Rutuja Rathi, Vaishnav Suryawanshi, Sameer Sumbhe


Every human being needs a sense of security. The requirement for security has risen in proportion with the population growth. However, because of a scarcity of resources, effective protection is not possible. It costs a lot of money to get appropriate security that not many can handle or afford. The goal of the study was to find a solution to the issue by developing a system capable of providing strong protection at a very low cost when long-term benefits are taken into account. The objective was to design and develop a robot that could travel around and survey the region and inform the command center if anything unusual was found. The system will be controlled manually on the server to find out its workplace's paths. The system is outfitted with a camera so that it can be used to capture built-in live video of the attacker and display it on the server.

Keywords: night patrolling, node MCU, server, security

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392 Application of Flory Paterson’s Theory on the Volumetric Properties of Liquid Mixtures: 1,2-Dichloroethane with Aliphatic and Cyclic Ethers

Authors: Linda Boussaid, Farid Brahim Belaribi


The physico-chemical properties of liquid materials in the industrial field, in general, and in that of the chemical industries, in particular, constitutes a prerequisite for the design of equipment, for the resolution of specific problems (related to the techniques of purification and separation, at risk in the transport of certain materials, etc.) and, therefore, at the production stage. Chloroalkanes, ethers constitute three chemical families having an industrial, theoretical and environmental interest. For example, these compounds are used in various applications in the chemical and pharmaceutical industries. In addition, they contribute to the particular thermodynamic behavior (deviation from ideality, association, etc.) of certain mixtures which constitute a severe test for predictive theoretical models. Finally, due to the degradation of the environment in the world, a renewed interest is observed for ethers, because some of their physicochemical properties could contribute to lower pollution (ethers would be used as additives in aqueous fuels.). This work is a thermodynamic, experimental and theoretical study of the volumetric properties of liquid binary systems formed from compounds belonging to the chemical families of chloroalkanes, ethers, having an industrial, theoretical and environmental interest. Experimental determination of the densities and excess volumes of the systems studied, at different temperatures in the interval [278.15-333.15] K and at atmospheric pressure, using an AntonPaar vibrating tube densitometer of the DMA5000 type. This contribution of experimental data, on the volumetric properties of the binary liquid mixtures of 1,2-dichloroethane with an ether, supplemented by an application of the theoretical model of Prigogine-Flory-Patterson PFP, will probably contribute to the enrichment of the thermodynamic database and the further development of the theory of Flory in its Prigogine-Flory-Patterson (PFP) version, for a better understanding of the thermodynamic behavior of these liquid binary mixtures

Keywords: prigogine-flory-patterson (pfp), propriétés volumétrique , volume d’excés, ethers

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391 Electron Spin Resonance of Conduction and Spin Waves Dynamics Investigations in Bi-2223 Superconductor for Decoding Pairing Mechanism

Authors: S. N. Ekbote, G. K. Padam, Manju Arora


Electron spin resonance (ESR) spectroscopic investigations of (Bi, Pb)₂Sr₂Ca₂Cu₃O₁₀₋ₓ (Bi-2223) bulk samples were carried out in both the normal and superconducting states. A broad asymmetric resonance signal with side signals is obtained in the normal state, and all of them disappear in the superconducting state. The temperature and angular orientation effects on these signals suggest that the broad asymmetric signal arises from electron spin resonance of conduction electrons (CESR) and the side signals from exchange interactions as Platzman-Wolff type spin waves. The disappearance of CESR and spin waves in a superconducting state demonstrates the role of exchange interactions in Cooper pair formation.

Keywords: Bi-2223 superconductor, CESR, ESR, exchange interactions, spin waves

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390 Relationship between Interfacial Instabilities and Mechanical Strength of Multilayer Symmetric Polymer Melts

Authors: Mohammad Ranjbaran Madiseh


In this research, an experimental apparatus has been developed for observing interfacial stability and deformation of multilayer pressure-driven channel flows. The interface instability of the co-extrusion flow of polyethylene and polypropylene is studied experimentally in a slit geometry. By investigating the growing interfacial wave (IW) and tensile stress of extrudate samples, a relationship between interfacial instability (II) and mechanical properties of polypropylene (PP) and high-density polyethylene (HDPE) has been established. It is shown that the mechanism of interfacial strength is related to interfacial instabilities as well as interfacial strength. It is shown that there is an ability to forecast the quality of final products in the co-extrusion process. In this study, it is found that the instability is controlled by its dominant wave number, which is associated with maximum tensile stress at the interface.

Keywords: interfacial instability, interfacial strength, wave number, interfacial wave

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389 Advanced Study on Hydrogen Evolution Reaction based on Nickel sulfide Catalyst

Authors: Kishor Kumar Sadasivuni, Mizaj Shabil Sha, Assim Alajali, Godlaveeti Sreenivasa Kumar, Aboubakr M. Abdullah, Bijandra Kumar, Mithra Geetha


A potential pathway for efficient hydrogen production from water splitting electrolysis involves catalysis or electrocatalysis, which plays a crucial role in energy conversion and storage. Hydrogen generated by electrocatalytic water splitting requires active, stable, and low-cost catalysts or electrocatalysts to be developed for practical applications. In this study, we evaluated combination of 2D materials of NiS nanoparticle catalysts for hydrogen evolution reactions. The photocatalytic H₂ production rate of this nanoparticle is high and exceeds that obtained on components alone. Nanoparticles serve as electron collectors and transporters, which explains this improvement. Moreover, a current density was recorded at reduced working potential by 0.393 mA. Calculations based on density functional theory indicate that the nanoparticle's hydrogen evolution reaction catalytic activity is caused by strong interaction between its components at the interface. The samples were analyzed by XPS and morphologically by FESEM for the best outcome, depending on their structural shapes. Use XPS and morphologically by FESEM for the best results. This nanocomposite demonstrated higher electro-catalytic activity, and a low tafel slope of 60 mV/dec. Additionally, despite 1000 cycles into a durability test, the electrocatalyst still displays excellent stability with minimal current loss. The produced catalyst has shown considerable potential for use in the evolution of hydrogen due to its robust synthesis. According to these findings, the combination of 2D materials of nickel sulfide sample functions as good electocatalyst for H₂ evolution. Additionally, the research being done in this fascinating field will surely push nickel sulfide-based technology closer to becoming an industrial reality and revolutionize existing energy issues in a sustainable and clean manner.

Keywords: electrochemical hydrogenation, nickel sulfide, electrocatalysts, energy conversion, catalyst

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388 Theoretical Study of Structural Parameters, Chemical Reactivity and Spectral and Thermodynamical Properties of Organometallic Complexes Containing Zinc, Nickel and Cadmium with Nitrilotriacetic Acid and Tea Ligands: Density Functional Theory Investigation

Authors: Nour El Houda Bensiradj, Nafila Zouaghi, Taha Bensiradj


The pollution of water resources is characterized by the presence of microorganisms, chemicals, or industrial waste. Generally, this waste generates effluents containing large quantities of heavy metals, making the water unsuitable for consumption and causing the death of aquatic life and associated biodiversity. Currently, it is very important to assess the impact of heavy metals in water pollution as well as the processes for treating and reducing them. Among the methods of water treatment and disinfection, we mention the complexation of metal ions using ligands which serve to precipitate and subsequently eliminate these ions. In this context, we are interested in the study of complexes containing heavy metals such as zinc, nickel, and cadmium, which are present in several industrial discharges and are discharged into water sources. We will use the ligands of triethanolamine (TEA) and nitrilotriacetic acid (NTA). The theoretical study is based on molecular modeling, using the density functional theory (DFT) implemented in the Gaussian 09 program. The geometric and energetic properties of the above complexes will be calculated. Spectral properties such as infrared, as well as reactivity descriptors, and thermodynamic properties such as enthalpy and free enthalpy will also be determined.

Keywords: heavy metals, NTA, TEA, DFT, IR, reactivity descriptors

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387 Atomistic Study of Structural and Phases Transition of TmAs Semiconductor, Using the FPLMTO Method

Authors: Rekab Djabri Hamza, Daoud Salah


We report first-principles calculations of structural and magnetic properties of TmAs compound in zinc blende(B3) and CsCl(B2), structures employing the density functional theory (DFT) within the local density approximation (LDA). We use the full potential linear muffin-tin orbitals (FP-LMTO) as implemented in the LMTART-MINDLAB code (Calculation). Results are given for lattice parameters (a), bulk modulus (B), and its first derivatives(B’) in the different structures NaCl (B1) and CsCl (B2). The most important result in this work is the prediction of the possibility of transition; from cubic rocksalt (NaCl)→ CsCl (B2) (32.96GPa) for TmAs. These results use the LDA approximation.

Keywords: LDA, phase transition, properties, DFT

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386 Development of Bioplastic Disposable Food Packaging from Starch and Cellulose

Authors: Lidya Hailu, Ramesh Duraisamy, Masood Akhtar Khan, Belete Yilma


Disposable food packaging is a single-use plastics that can include any disposable plastic item which could be designed and use only once. In this context, this study aimed to prepare and evaluate bioplastic food packaging material from avocado seed starch and sugarcane bagasse cellulose and to characterise avocado seed starch. Performed the physicomechanical, structural, thermal properties, and biodegradability of raw materials and readily prepared bioplastic using the universal tensile testing machine, FTIR, UV-Vis spectroscopy, TGA, XRD, and SEM. Results have shown that an increasing amount of glycerol (3-5 mL) resulted in increases in water absorption, density, water vapor permeability, and elongation at the break of prepared bioplastic. However, it causes decreases in % transmittance, thermal degradation, and the tensile strength of prepared bioplastic. Likewise, the addition of cellulose fiber (0-15 %) increases % transmittance ranged (91.34±0.12-63.03±0.05 %), density (0.93±0.04-1.27±0.02 g/cm3), thermal degradation (310.01-321.61°C), tensile strength (2.91±6.18-4.21±6.713 MPa) of prepared bioplastic. On the other hand, it causes decreases in water absorption (14.4±0.25-9.40±0.007 %), water vapor permeability (9.306x10-12±0.3-3.57x10-12±0.15 g•s−1•m−1•Pa−1) and elongation at break (34.46±3.37-27.63±5.67 %) of prepared bioplastic. All the readily prepared bioplastic films rapidly degraded in the soil in the first 6 days and decompose within 12 days with a diminutive leftover and completely degraded within 15 days under an open soil atmosphere. Studied results showed starch derived bioplastic reinforced with 15 % cellulose fiber that plasticized with 3 mL of glycerol had improved results than other combinations of glycerol and bagasse cellulose with avocado seed starch. Thus, biodegradable disposable food packaging cup has been successfully produced in the lab-scale level using the studied approach. Biodegradable disposable food packaging materials have been successfully produced by employing avocado seed starch and sugarcane bagasse cellulose. The future study should be done on nano scale production since this study was done at the micro level.

Keywords: avocado seed, food packaging, glycerol, sugarcane bagasse

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385 Study of the Non-isothermal Crystallization Kinetics of Polypropylene Homopolymer/Impact Copolymer Composites

Authors: Pixiang Wang, Shaoyang Liu, Yucheng Peng


Polypropylene (PP) is an essential material of numerous applications in different industrial sectors, including packaging, construction, and automotive. Because the application of homopolypropylene (HPP) is limited by its relatively low impact strength and high embrittlement temperature, various types of impact copolymer PP (ICPP) that incorporate elastomers/rubbers into HPP to increase impact strength have been successfully commercialized. Crystallization kinetics of an isotactic HPP, an ICPP, and their composites were studied in this work understand the composites’ behaviors better. The Avrami-Jeziorny model was used to describe the crystallization process. For most samples, the Avrami exponent, n, was greater than 3, indicating the crystal grew in three dimensions with spherical geometry. However, the n value could drop below 3 when the ICPP content was 80 wt.% or higher and the cooling rate was 7.5°C/min or lower, implying that the crystals could grow in two dimensions and some lamella structures could be formed under those conditions. The nucleation activity increased with the increase of the ICPP content, demonstrating that the rubber phase in the ICPP acted as a nucleation agent and facilitated the nucleation process. The decrease in crystallization rate after the ICPP content exceeded 60 wt.% might be caused by the excessive amount of crystal nuclei induced by the high ICPP content, which caused strong crystal-crystal interactions and limited the crystal growth space. The nucleation activity and the n value showed high correlations to the mechanical and thermal properties of the materials. The quantitative study of the kinetics of crystallization in this work could be a helpful reference for manufacturing ICPP and HPP/ICPP mixtures.

Keywords: polypropylene, crystallization kinetics, Avrami-Jeziorny model, crystallization activation energy, Nucleation activity

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384 Evaluation of κ -Carrageenan Hydrogel Efficiency in Wound-Healing

Authors: Ali Ayatic, Emad Mozaffari, Bahareh Tanhaei, Maryam Khajenoori, Saeedeh Movaghar Khoshkho, Ali Ayati


The abuse of antibiotics, such as tetracycline (TC), is a great global threat to people and the use of topical antibiotics is a promising tact that can help to solve this problem. Antibiotic therapy is often appropriate and necessary for acute wound infections, while topical tetracycline can be highly efficient in improving the wound healing process in diabetics. Due to the advantages of drug-loaded hydrogels as wound dressing, such as ease of handling, high moisture resistance, excellent biocompatibility, and the ability to activate immune cells to speed wound healing, it was found as an ideal wound treatment. In this work, the tetracycline-loaded hydrogels combining agar (AG) and κ-carrageenan (k-CAR) as polymer materials were prepared, in which span60 surfactant was introduced inside as a drug carrier. The Field Emission Scanning Electron Microscopes (FESEM) and Fourier-transform infrared spectroscopy (FTIR) techniques were employed to provide detailed information on the morphology, composition, and structure of fabricated drug-loaded hydrogels and their mechanical properties, and hydrogel permeability to water vapor was investigated as well. Two types of gram-negative and gram-positive bacteria were used to explore the antibacterial properties of prepared tetracycline-contained hydrogels. Their swelling and drug release behavior was studied using the changing factors such as the ratio of polysaccharides (MAG/MCAR), the span60 surfactant concentration, potassium chloride (KCl) concentration and different release media (deionized water (DW), phosphate-buffered saline (PBS), and simulated wound fluid (SWF)) at different times. Finally, the kinetic behavior of hydrogel swelling was studied. Also, the experimental data of TC release to DW, PBS, and SWF using various mathematical models such as Higuchi, Korsmeyer-Peppas, zero-order, and first-order in the linear and nonlinear modes were evaluated.

Keywords: drug release, hydrogel, tetracycline, wound healing

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383 Industrial Lignin Applications for Phenol Substitution in the High-Pressure Laminate Manufacturing Process

Authors: Micaela Belén Peralta, Verónica Viviana Nicolau


Substituting petroleum-based phenol (P) with renewable polyphenols in High-Pressure Laminates (HPL) applications would lead to great economic and environmental benefits. HPL are composites made of core layers of Kraft papers saturated with a (resol-type) phenol-formaldehyde (PF) resin and a paper-based decorative surface impregnated with a melamine-formaldehyde resin. HPL are widely used in the field of construction and furniture. The HPL manufacturing process involves three basic steps: (i) synthesis of the base resins (prepolymers), (ii) impregnation and drying of the prepegs, and (iii) curing of the prepegs by compression molding at high pressure and temperature. Lignin has a complex polyphenolic structure that depends on the species and the biomass isolation process. Lignin is mainly obtained as a by-product in the production of paper and biofuels. Only 2% of the Kraft lignin (KL) production is used for value-added products. Although softwood lignin is more suitable for the formulation of phenolic resins due to the high reactivity, Eucalyptus spp. species from hardwood constitute the main fiber source for pulp and paper industry in South America. The low solubility and reactivity of KL limit its exploitation in resol resins. Hydroxymethylation is the most common lignin activation method to increase the reactivity in alkaline conditions. This work involves the design, optimisation and scaling-up of the hydroxymethylation process of a eucalyptus KL for the resol synthesis and the industrial production of HPL. Variables such as pH (9 and 11) and temperature (50 °C and 70 °C) were studied to favour the dissolution and increase the reactivity of lignin. The undesirable effect of the formaldehyde (F) Cannizzaro reaction was studied. The conditions that maximize KL dissolution for a weight ratio F/KL = 1 are adjustment of the 37% F solution to pH 11, the addition of the powder KL under mechanical stirring, and heating up to 70 °C for 1 h. Laboratory HPL with good boiling water resistance were obtained with replacement of up to 60% of P with KL. The industrial synthesis of the resol was carried out in a 3000 L stirred tank reactor (Centro S.A., San Francisco, Córdoba, Argentina) by replacing 30% of P with KL. The resins were used for the industrial impregnation of Kraft paper and curing in a Multi Opening Fjellman press at 150 °C. The characterisation of the resins involved spectroscopic (FT-IR) and chromatographic (SEC) measurements. Thermal characterisation (TGA and DSC) was employed for impregnated papers and HPL. Boiling water, tensile and flexural strength tests were performed for lignin-based and conventional HPL. In flexural tests, the measured modulus and tensile strength showed an increase for lignin-based HPL (34% and 22%, respectively). No statistically significant differences were observed in tensile modulus (10 GPa) for conventional and lignin-based HPL. This research shows the potential feasibility for the industrial application of hardwood KL in replacement of P in applications such as F resins and composites.

Keywords: kraft lignin, resol, high pressure laminate, scaling-up

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382 Investigation of the Dielectric Response of Ppy/V₂c Mxene-Zns from First Principle Calculation

Authors: Anthony Chidi Ezika, Gbolahan Joseph Adekoya, Emmanuel Rotimi Sadiku, Yskandar Hamam, Suprakas Sinha Ray


High-energy-density polymer/ceramic composites require a high breakdown strength and dielectric constant. Interface polarization and electric percolation are responsible for the high dielectric constant. In order to create composite dielectrics, high conductivity ceramic particles are combined with polymers to increase the dielectric constant. In this study, bonding and the non-uniform distribution of charges in the ceramic/ceramic interface zone are investigated using density functional theory (DFT) modeling. This non-uniform distribution of charges is intended to improve the ceramic/ceramic interface's dipole polarization (dielectric response). The interfacial chemical bond formation can also improve the structural stability of the hybrid filler and, consequently, of the composite films. To comprehend the electron-transfer process, the density of state and electron localization function of the PPy with hybrid fillers are also studied. The polymer nanocomposite is anticipated to provide a suitable dielectric response for energy storage applications.

Keywords: energy storage, V₂C/ ZnS hybrid, polypyrrole, MXene, nanocomposite, dielectric

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381 Experimental and Theoretical Study on Flexural Behaviors of Reinforced Concrete Cement (RCC) Beams by Using Carbonfiber Reinforcedpolymer (CFRP) Laminate as Retrofitting and Rehabilitation Method

Authors: Fils Olivier Kamanzi


This research Paper shows that materials CFRP were used to rehabilitate 9 Beams and retrofitting of 9 Beams with size (125x250x2300) mm each for M50 grade of concrete with 20% of Volume of Cement replaced by GGBS as a mineral Admixture. Superplasticizer (ForscoConplast SP430) used to reduce the water-cement ratio and maintaining good workability of fresh concrete (Slump test 57mm). Concrete Mix ratio 1:1.56:2.66 with a water-cement ratio of 0.31(ACI codebooks). A sample of 6cubes sized (150X150X150) mm, 6cylinders sized (150ФX300H) mm and 6Prisms sized (100X100X500) mm were cast, cured, and tested for 7,14&28days by compressive, tensile and flexure test; finally, mix design reaches the compressive strength of 59.84N/mm2. 21 Beams were cast and cured for up to 28 days, 3Beams were tested by a two-point loading machine as Control beams. 9 Beams were distressed in flexure by adopting failure up to final Yielding point under two-point loading conditions by taking 90% off Ultimate load. Three sets, each composed of three distressed beams, were rehabilitated by using CFRP sheets, one, two & three layers, respectively, and after being retested up to failure mode. Another three sets were freshly retrofitted also by using CFRP sheets one, two & three layers, respectively, and being tested by a two-point load method of compression strength testing machine. The aim of this study is to determine the flexural Strength & behaviors of repaired and retrofitted Beams by CFRP sheets for gaining good strength and considering economic aspects. The results show that rehabilitated beams increase its strength 47 %, 78 % & 89 %, respectively, to thickness of CFRP sheets and 41%, 51 %& 68 %, respectively too, for retrofitted Beams. The conclusion is that three layers of CFRP sheets are the best applicable in repairing and retrofitting the bonded beams method.

Keywords: retrofitting, rehabilitation, cfrp, rcc beam, flexural strength and behaviors, ggbs, and epoxy resin

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380 Surface Engineering and Characterization of S-Phase Formed in AISI 304 By Low-Temperature Nitrocarburizing

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


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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379 Chemical Analyses of Aspillia kotschyi (Sch. bipex, hochst) Oliv Plant

Authors: Abdu Umar Adamu, Maimuna Ibrahim


In this present work, a locally used medicinal plant, namely: Aspillia kotschyi belonging to the Compositae family, was extracted using methanolic and petroleum ether 60-80OC. The extracts were subjected to microwave plasma Atomic Emission Spectroscopy (MPES) to determine the following metals Se, Ag, Fe, Cu, Ni, As, Co, Mn, and Al. From the result, Ag, Cu, Ni, and Co are of very negligible concentrations in the plant extract. However, Seleniun is found to be 0.530 (mg/kg) in the plant methanolic extract. Iron, on the other hand, was found to be 3.712 (mg/kg) in the plant extract. Arsenic was found to be 0.506 and 1.301 (mg/kg) in both methanolic and petroleum spirit extracts of the plant material. The concentration of aluminium was found to be of the range of 3.050mg/kg in the plant. Functional group analysis of the plant extracts was also carried out using Fourier transform infrared (FTIR) spectroscopy which showed the presence of some functional groups. The results of this study suggest some merit in the popular use of the plant in herbal medicine.

Keywords: Aspillia kotschyi, functional group, FTIR, MPES

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378 Controlling Interactions and Non-Equilibrium Steady State in Spinning Active Matter Monolayers

Authors: Joshua Paul Steimel, Michael Pappas, Ethan Hall


Particle-particle interactions are critical in determining the state of an active matter system. Unique and ubiquitous non-equilibrium behavior like swarming, vortexing, spiraling, and much more is governed by interactions between active units or particles. In hybrid active-passive matter systems, the attraction between spinning active units in a 2D monolayer of passive particles is controlled by the mechanical behavior of the passive monolayer. We demonstrate here that the range and dynamics of this attraction can be controlled by changing the composition of the passive monolayer by adding dopant passive particles. These dopant passive particles effectively pin the movement of dislocation motion in the passive media and reduce the probability of defect motion required to erode the bridge of passive particles between active spinners, thus reducing the range of attraction. Additionally, by adding an out of plane component to the magnetic moment and creating a top-like motion a short range repulsion emerges between the top-like particle. At inter-top distances less than four particle diameters apart, the tops repel but beyond that, distance attract up to 13 particle diameters apart. The tops were also able to locally and transiently anneal the passive monolayer. Thus we demonstrate that by tuning several parameters of the hybrid active matter system, one can observe very different emergent behavior.

Keywords: active matter, colloids, ferromagnetic, annealing

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377 Metabolic Profiling of Populus trichocarpa Family 1 UDP-Glycosyltransferases

Authors: Patricia M. B. Saint-Vincent, Anna Furches, Stephanie Galanie, Erica Teixeira Prates, Piet Jones, Nancy Engle, David Kainer, Wellington Muchero, Daniel Jacobson, Timothy J. Tschaplinski


Uridine diphosphate-glycosyltransferases (UGTs) are enzymes that catalyze sugar transfer to a variety of plant metabolites. UGT substrates, which include plant secondary metabolites involved in lignification, demonstrate new activities and incorporation when glycosylated. Knowledge of UGT function, substrate specificity, and enzyme products is important for plant engineering efforts, especially related to increasing plant biomass through lignification. UGTs in Populus trichocarpa, a biofuel feedstock, and model woody plant, were selected from a pool of gene candidates using rapid prioritization strategies. A functional genomics workflow, consisting of a metabolite genome-wide association study (mGWAS), expression of synthetic codon-optimized genes, and high-throughput biochemical assays with mass spectrometry-based analysis, was developed for determining the substrates and products of previously-uncharacterized enzymes. A total of 40 UGTs from P. trichocarpa were profiled, and the biochemical assay results were compared to predicted mGWAS connections. Assay results confirmed seven of 11 leaf mGWAS associations and demonstrated varying levels of substrate specificity among candidate UGTs. P. trichocarpa UGT substrate processing confirms the role of these newly-characterized enzymes in lignan, flavonoid, and phytohormone metabolism, with potential implications for cell wall biosynthesis, nitrogen uptake, and biotic and abiotic stress responses.

Keywords: Populus, metabolite-gene associations, GWAS, bio feedstocks, glycosyltransferase

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