Search results for: polymer synthesis
2981 Synthesis of (S)-Naproxen Based Amide Bond Forming Chiral Reagent and Application for Liquid Chromatographic Resolution of (RS)-Salbutamol
Authors: Poonam Malik, Ravi Bhushan
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This work describes a very efficient approach for synthesis of activated ester of (S)-naproxen which was characterized by UV, IR, ¹HNMR, elemental analysis and polarimetric studies. It was used as a C-N bond forming chiral derivatizing reagent for further synthesis of diastereomeric amides of (RS)-salbutamol (a β₂ agonist that belongs to the group β-adrenolytic and is marketed as racamate) under microwave irradiation. The diastereomeric pair was separated by achiral phase HPLC, using mobile phase in gradient mode containing methanol and aqueous triethylaminephosphate (TEAP); separation conditions were optimized with respect to pH, flow rate, and buffer concentration and the method of separation was validated as per International Council for Harmonisation (ICH) guidelines. The reagent proved to be very effective for on-line sensitive detection of the diastereomers with very low limit of detection (LOD) values of 0.69 and 0.57 ng mL⁻¹ for diastereomeric derivatives of (S)- and (R)-salbutamol, respectively. The retention times were greatly reduced (2.7 min) with less consumption of organic solvents and large (α) as compared to literature reports. Besides, the diastereomeric derivatives were separated and isolated by preparative HPLC; these were characterized and were used as standard reference samples for recording ¹HNMR and IR spectra for determining absolute configuration and elution order; it ensured the success of diastereomeric synthesis and established the reliability of enantioseparation and eliminated the requirement of pure enantiomer of the analyte which is generally not available. The newly developed reagent can suitably be applied to several other amino group containing compounds either from organic syntheses or pharmaceutical industries because the presence of (S)-Npx as a strong chromophore would allow sensitive detection.This work is significant not only in the area of enantioseparation and determination of absolute configuration of diastereomeric derivatives but also in the area of developing new chiral derivatizing reagents (CDRs).Keywords: chiral derivatizing reagent, naproxen, salbutamol, synthesis
Procedia PDF Downloads 1552980 Synthesis and Characterization of Polypyrrole-Coated Non-Conducting Cellulosic Substrate and Modified by Copper Oxide
Authors: A. Hamam, D. Oukil, A. Dib, L. Makhloufi
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The aim of this work is to synthesize modified Polypyrrole films (PPy) containing nanoparticles of copper oxides onto a non conducting cellulosic substrate. Firstly, the chemical polymerization of polypyrrole onto cellulosic substrate is carried out using FeCl3 as an oxidant and Pyrrole as monomer. Different parameters were optimized (monomer concentration, duration of the experiment, nature of supporting electrolyte, temperature, etc.) in order to obtain films with different thickness and different morphologies. Thickness and topography of different PPy deposits were estimated by a profilometer apparatus. The electrochemical reactivity of the obtained electrodes were tested by cyclic voltammetry technique (CV) and electrochemical impedance spectroscopy (EIS). Secondly, the modification of the PPy film surface by incorporation of copper oxide nanonoparticles is conducted by applying a galvanostatic procedure from CuCl2 solution. Surface characterization has been carried out using scanning microscope (SEM) coupled with energy dispersive X-ray analysis (EDX), Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD). The analysis showed the presence of the copper oxide nanoparticles (CuO) in the polymer films with dimensions less than 50 nm.Keywords: polypyrrole, modified electrode, cellulosic substrate, copper oxide
Procedia PDF Downloads 4502979 Ionic Liquid 1-Butyl-3-Methylimidazolium Bromide as Reaction Medium for the Synthesis of Flavanones under Solvent-Free Conditions
Authors: Cecilia Espindola, Juan Carlos Palacios
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Flavonoids are a large group of natural compounds which are found in many fruits and vegetables. A subgroup of these called flavanones display a wide range of biological activities, and they also have an important physiological role in plants. The ionic liquid (ILs) are compounds consisting of an organic cation with an organic or inorganic anion. Due to its unique properties such as high electrical conductivity, wide temperature range of the liquid state, thermal and electrochemical stability, high ionic density and low volatility and flammability, are considered as ecological solvents in organic synthesis, catalysis, electrolytes in accumulators, and electrochemistry, non-volatile plasticizers, and chemical separation. It was synthesized ionic liquid IL 1-butyl-3-methylimidazolium bromide free-solvent and used as reaction medium for flavanones synthesis, under several reaction conditions of temperature, time and production. The obtained compounds were analyzed by melting point, elemental analysis, IR and UV-vis spectroscopy.Keywords: 1-butyl-3-methylimidazolium bromide, flavonoids, free-solvent, IR spectroscopy
Procedia PDF Downloads 1202978 Carbonyl Iron Particles Modified with Pyrrole-Based Polymer and Electric and Magnetic Performance of Their Composites
Authors: Miroslav Mrlik, Marketa Ilcikova, Martin Cvek, Josef Osicka, Michal Sedlacik, Vladimir Pavlinek, Jaroslav Mosnacek
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Magnetorheological elastomers (MREs) are a unique type of materials consisting of two components, magnetic filler, and elastomeric matrix. Their properties can be tailored upon application of an external magnetic field strength. In this case, the change of the viscoelastic properties (viscoelastic moduli, complex viscosity) are influenced by two crucial factors. The first one is magnetic performance of the particles and the second one is off-state stiffness of the elastomeric matrix. The former factor strongly depends on the intended applications; however general rule is that higher magnetic performance of the particles provides higher MR performance of the MRE. Since magnetic particles possess low stability properties against temperature and acidic environment, several methods how to improve these drawbacks have been developed. In the most cases, the preparation of the core-shell structures was employed as a suitable method for preservation of the magnetic particles against thermal and chemical oxidations. However, if the shell material is not single-layer substance, but polymer material, the magnetic performance is significantly suppressed, due to the in situ polymerization technique, when it is very difficult to control the polymerization rate and the polymer shell is too thick. The second factor is the off-state stiffness of the elastomeric matrix. Since the MR effectivity is calculated as the relative value of the elastic modulus upon magnetic field application divided by elastic modulus in the absence of the external field, also the tuneability of the cross-linking reaction is highly desired. Therefore, this study is focused on the controllable modification of magnetic particles using a novel monomeric system based on 2-(1H-pyrrol-1-yl)ethyl methacrylate. In this case, the short polymer chains of different chain lengths and low polydispersity index will be prepared, and thus tailorable stability properties can be achieved. Since the relatively thin polymer chains will be grafted on the surface of magnetic particles, their magnetic performance will be affected only slightly. Furthermore, also the cross-linking density will be affected, due to the presence of the short polymer chains. From the application point of view, such MREs can be utilized for, magneto-resistors, piezoresistors or pressure sensors especially, when the conducting shell on the magnetic particles will be created. Therefore, the selection of the pyrrole-based monomer is very crucial and controllably thin layer of conducting polymer can be prepared. Finally, such composite particle consisting of magnetic core and conducting shell dispersed in elastomeric matrix can find also the utilization in shielding application of electromagnetic waves.Keywords: atom transfer radical polymerization, core-shell, particle modification, electromagnetic waves shielding
Procedia PDF Downloads 2092977 Synthesis of Bisphenols Containing Pendant Furyl Group Based on Chemicals Derived from Lignocellulose and Their Utilization for Preparation of Clickable Poly(Arylene Ether Sulfone)s
Authors: Samadhan S. Nagane, Sachin S. Kuhire, Prakash P. Wadgaonkar
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Lignocellulose-derived chemicals such as furfural, furandicarboxylic acid, syringol, guaiacol, etc are highly attractive as sustainable alternatives to petrochemicals for the synthesis of monomers and polymers. We wish to report herein the facile synthesis of fully bio-based bisphenols containing pendant furyl group by base-catalyzed condensation of furfural with guaiacol. Bisphenols possessing pendant furyl group represent valuable monomers for the synthesis of a range of polymers which include epoxy resins, polyesters, polycarbonates, poly(aryl ether)s, etc. Several new homo/co-poly(arylene ether sulfone)s have been prepared by the reaction of 4,4(-fluorodiphenyl sulfone (FDS) with 4,4'-(furan-2-ylmethylene)bis(2-methoxyphenol) (BPF) and 4,4(-isopropylidenediphenol (BPA) using different molar ratios of bisphenols. Poly(arylene ether sulfone)s showed inherent viscosities in the range 0.92-1.47 dLg-1 and number average molecular weights (Mn), obtained from gel permeation chromatography (GPC), were in the range 91,300 – 1,31,000. Poly(arylene ether sulfone)s could be cast into tough, transparent and flexible films from chloroform solutions. X-Ray diffraction studies indicated amorphous nature of poly(arylene ether sulfone)s. Poly(arylene ether sulfone)s showed Tg values in the range 179-191 oC. Additionally, the pendant furyl groups in poly(arylene ether sulfone)s provide reactive sites for chemical modifications and cross-linking via Diels-Alder reaction with maleimides and bismaleimides, respectively.Keywords: bio-based, bisphenols, Diels-Alder reaction, poly(arylene ether sulfone)s
Procedia PDF Downloads 2562976 Green Electrochemical Nitration of Bioactive Compounds: Biological Evaluation with Molecular Modelling
Authors: Sara Torabi, Sadegh Khazalpour, Mahdi Jamshidi
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Nitro aromatic compounds are valuable materials because of their applications in the preparation of chemical intermediates for the synthesis of dyes, plastics, perfumes, energetic materials, and pharmaceuticals. Chemical and electrochemical procedures are reported for nitration of aromatic compounds. Flavonoid derivatives are present in many vegetables and fruits and are constituent of many common pharmaceuticals and dietary supplements. Electrochemistry provides very versatile means for the electrosynthesis, mechanistic and kinetic studies. To the best of our knowledge, and despite the importance of these compounds in numerous scientific fields, there are no reports on the electrochemical nitration of Quercetin derivatives. Herein, we describe a green electrochemical synthesis of a nitro compound. In this work, electrochemical oxidation of Quercetin has been studied in the presence of nitrite ion as a nucleophile in acetate buffer solution (c = 0.2 M, pH = 6.0), by means of cyclic voltammetry and controlled-potential coulometry. The results indicate the participation of produced o-benzoquinones in Michael reaction with nitrite ion (in the divided cell) to form the corresponding nitro diol (EC mechanism). The purity of product and characterization was done using ¹H NMR, ¹³C NMR, FTIR spectroscopic techniques. The presented strategies use a water/ethanol mixture as solvent. Ethanol as cosolvent was also used in the previous studies because of its low cost, safety, easy availability, recyclability, bioproductability, and biodegradability. These strategies represent a one-pot and facile process for the synthesis of nitro compound in high yield and purity under green conditions.Keywords: electrochemical synthesis, green chemistry, cyclic voltammetry, molecular docking
Procedia PDF Downloads 1442975 Synthesis and Charaterization of Nanocomposite Poly (4,4' Methylenedianiline) Catalyzed by Maghnite-H+
Authors: A. Belmokhtar, A. Yahiaoui, A. Benyoucef, M. Belbachir
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We reported the synthesis and characterization of nanocomposite poly (4,4’ methylenedianiline) via chemical polymerization of monomers 4,4’ methylenedianiline by ammonium persulfate (APS) at room temperature catalyzed by Maghnite-H+. A facile method was demonstrated to grow poly (4,4’ methylenedianiline) nanocomposite, which was carried out by mixing Ammonium Persulfate (APS) aqueous and 4,4’ methylenedianiline solution in the presence of Maghnite-H+ at room temperature The effect of amount of catalyst and time on the polymerization yield of the polymers was studied. Structure was confirmed by elemental analysis, UV vis, RMN-1H, and voltammetry cyclique.Keywords: charaterization, maghnite-h+, polymerization, poly (4, 4’ methylenedianiline)
Procedia PDF Downloads 2892974 Influence of Fiber Loading and Surface Treatments on Mechanical Properties of Pineapple Leaf Fiber Reinforced Polymer Composites
Authors: Jain Jyoti, Jain Shorab, Sinha Shishir
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In the current scenario, development of new biodegradable composites with the reinforcement of some plant derived natural fibers are in major research concern. Abundant quantity of these natural plant derived fibers including sisal, ramp, jute, wheat straw, pine, pineapple, bagasse, etc. can be used exclusively or in combination with other natural or synthetic fibers to augment their specific properties like chemical, mechanical or thermal properties. Among all natural fibers, wheat straw, bagasse, kenaf, pineapple leaf, banana, coir, ramie, flax, etc. pineapple leaf fibers have very good mechanical properties. Being hydrophilic in nature, pineapple leaf fibers have very less affinity towards all types of polymer matrixes. Not much work has been carried out in this area. Surface treatments like alkaline treatment in different concentrations were conducted to improve its compatibility towards hydrophobic polymer matrix. Pineapple leaf fiber epoxy composites have been prepared using hand layup method. Effect of variation in fiber loading up to 20% in epoxy composites has been studied for mechanical properties like tensile strength and flexural strength. Analysis of fiber morphology has also been studied using FTIR, XRD. SEM micrographs have also been studied for fracture surface.Keywords: composite, mechanical, natural fiber, pineapple leaf fiber
Procedia PDF Downloads 2392973 Isolation and Synthesis of 1’-S-1’-Acetoxycavicol Acetate as Potent Antidandruff Agent
Authors: M. Vijaya Bhaskar Reddy
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The air-dried and powdered methanol solvent extraction of the rhizomes of Alpinia galangal is subjected to bio-assay guided fractionation and isolation yielded a known compound namely, 1'-S-1'-Acetoxychavicol acetate (1). The isolated known compound has been identified based on the physical, spectral data (IR, ¹H, ¹³C, NMR and mass spectroscopy) and comparison with an authentic sample. Finally isolated 1'-S-1'-Acetoxychavicol acetate (1) was confirmed by synthesis. The crude methanol extract and identified known compound (1) were tested for antidandruff property against Malassezia furfur showed with MIC 1000 µg/mL and 7.81 µg/mL, respectively.Keywords: Alpinia galanga, isolation, 1'-S-1'-Acetoxychavicol acetate, antidandruff activity, Malassezia furfur
Procedia PDF Downloads 1712972 Assessment of the Performance of Fly Ash Based Geo-Polymer Concrete under Sulphate and Acid Attack
Authors: Talakokula Visalakshi
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Concrete is the most commonly used construction material across the globe, its usage is second only to water. It is prepared using ordinary Portland cement whose production contributes to 5-8% of total carbon emission in the world. On the other hand the fly ash by product from the power plants is produced in huge quantities is termed as waste and disposed in landfills. In order to address the above issues mentioned, it is essential that other forms of binding material must be developed in place of cement to make concrete. The geo polymer concrete is one such alternative developed by Davidovits in 1980’s. Geopolymer do not form calcium-silicate hydrates for matrix formation and strength but undergo polycondensation of silica and alumina precursors to attain structural strength. Its setting mechanism depends upon polymerization rather than hydration. As a result it is able to achieve its strength in 3-5 days whereas concrete requires about a month to do the same. The objective of this research is to assess the performance of geopolymer concrete under sulphate and acid attack. The assessment is done based on the experiments conducted on geopolymer concrete. The expected outcomes include that if geopolymer concrete is more durable than normal concrete, then it could be a competitive replacement option of concrete and can lead to significant reduction of carbon foot print and have a positive impact on the environment. Fly ash based geopolymer concrete offers an opportunity to completely remove the cement content from concrete thereby making the concrete a greener and future construction material.Keywords: fly ash, geo polymer, geopolymer concrete, construction material
Procedia PDF Downloads 4882971 Evaluating of Turkish Earthquake Code (2007) for FRP Wrapped Circular Concrete Cylinders
Authors: Guler S., Guzel E., Gulen M.
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Fiber Reinforced Polymer (FRP) materials are commonly used in construction sector to enhance the strength and ductility capacities of structural elements. The equations on confined compressive strength of FRP wrapped concrete cylinders is described in the 7th chapter of the Turkish Earthquake Code (TEC-07) that enter into force in 2007. This study aims to evaluate the applicability of TEC-07 on confined compressive strengths of circular FRP wrapped concrete cylinders. To this end, a large number of data on circular FRP wrapped concrete cylinders are collected from the literature. It is clearly seen that the predictions of TEC-07 on circular FRP wrapped the FRP wrapped columns is not same accuracy for different ranges of concrete strengths.Keywords: Fiber Reinforced Polymer (FRP), concrete cylinders, Turkish Earthquake Code, earthquake
Procedia PDF Downloads 5182970 Characterization of Surface Microstructures on Bio-Based PLA Fabricated with Nano-Imprint Lithography
Authors: D. Bikiaris, M. Nerantzaki, I. Koliakou, A. Francone, N. Kehagias
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In the present study, the formation of structures in poly(lactic acid) (PLA) has been investigated with respect to producing areas of regular, superficial features with dimensions comparable to those of cells or biological macromolecules. Nanoimprint lithography, a method of pattern replication in polymers, has been used for the production of features ranging from tens of micrometers, covering areas up to 1 cm², down to hundreds of nanometers. Both micro- and nano-structures were faithfully replicated. Potentially, PLA has wide uses within biomedical fields, from implantable medical devices, including screws and pins, to membrane applications, such as wound covers, and even as an injectable polymer for, for example, lipoatrophy. The possibility of fabricating structured PLA surfaces, with structures of the dimensions associated with cells or biological macro- molecules, is of interest in fields such as cellular engineering. Imprint-based technologies have demonstrated the ability to selectively imprint polymer films over large areas resulting in 3D imprints over flat, curved or pre-patterned surfaces. Here, we compare nano-patterned with nano-patterned by nanoimprint lithography (NIL) PLA film. A silicon nanostructured stamp (provided by Nanotypos company) having positive and negative protrusions was used to pattern PLA films by means of thermal NIL. The polymer film was heated from 40°C to 60°C above its Tg and embossed with a pressure of 60 bars for 3 min. The stamp and substrate were demolded at room temperature. Scanning electron microscope (SEM) images showed good replication fidelity of the replicated Si stamp. Contact-angle measurements suggested that positive microstructuring of the polymer (where features protrude from the polymer surface) produced a more hydrophilic surface than negative micro-structuring. The ability to structure the surface of the poly(lactic acid), allied to the polymer’s post-processing transparency and proven biocompatibility. Films produced in this were also shown to enhance the aligned attachment behavior and proliferation of Wharton’s Jelly Mesenchymal Stem cells, leading to the observed growth contact guidance. The bacterial attachment patterns of some bacteria, highlighted that the nano-patterned PLA structure can reduce the propensity for the bacteria to attach to the surface, with a greater bactericidal being demonstrated activity against the Staphylococcus aureus cells. These biocompatible, micro- and nanopatterned PLA surfaces could be useful for polymer– cell interaction experiments at dimensions at, or below, that of individual cells. Indeed, post-fabrication modification of the microstructured PLA surface, with materials such as collagen (which can further reduce the hydrophobicity of the surface), will extend the range of applications, possibly through the use of PLA’s inherent biodegradability. Further study is being undertaken to examine whether these structures promote cell growth on the polymer surface.Keywords: poly(lactic acid), nano-imprint lithography, anti-bacterial properties, PLA
Procedia PDF Downloads 3302969 Molecularly Imprinted Polymer and Computational Study of (E)-2-Cyano-3-(Dimethylamino)-N-(2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Acrylam-Ide and Its Applications in Industrial Applications
Authors: Asmaa M. Fahim
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In this investigation, the (E)-2-cyano-3-(dimethylamino)-N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acrylam-ide (4) which used TAM as a template which interacts with Methacrylic Acid (MAA) monomer, in the presence of CH₃CN as progen. The TAM-MMA complex interactions are dependent on stable hydrogen bonding interaction between the carboxylic acid group of TAM(Template) and the hydroxyl group of MMA(methyl methacrylate) with minimal interference of porogen CH₃CN. The physical computational studies were used to optimize their structures and frequency calculations. The binding energies between TAM with different monomers showed the most stable molar ratio of 1:4, which was confirmed through experimental analysis. The optimized polymers were investigated in industrial applications.Keywords: molecular imprinted polymer, computational studies, SEM, spectral analysis, industrial applications
Procedia PDF Downloads 1592968 Die Design for Flashless Forging of a Polymer Insulator Fitting
Authors: Pedram Khazaie, Sajjad Moein
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In the conventional hot forging of Tongue, which is a fitting for polymer insulator, the material wasted to flash accounts for 20-30% of workpiece. In order to reduce the cost of forged products, this waste material must be minimized. In this study, a flashless forging die is designed and simulated using the finite element method (FEM). A solution to avoid overloading the die with a simple preform is also presented. Moreover, since in flashless forging, burr is formed on the edge of workpiece, a controlled flash forging method is proposed to solve this problem. The simulation results have been validated by experiments; achieving close agreement between simulated and experimental data. It was shown that numerical modeling is helpful in reducing cost and time in the manufacturing process.Keywords: burr formation, die design, finite element method, flashless forging
Procedia PDF Downloads 1582967 Calycosin Ameliorates Osteoarthritis by Regulating the Imbalance Between Chondrocyte Synthesis and Catabolism
Authors: Hong Su, Qiuju Yan, Wei Du, En Hu, Zhaoyu Yang, Wei Zhang, Yusheng Li, Tao Tang, Wang yang, Shushan Zhao
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Osteoarthritis (OA) is a severe chronic inflammatory disease. As the main active component of Astragalus mongholicus Bunge, a classic traditional ethnic herb, calycosin exhibits anti-inflammatory action and its mechanism of exact targets for OA have yet to be determined. In this study, we established an anterior cruciate ligament transection (ACLT) mouse model. Mice were randomized to sham, OA, and calycosin groups. Cartilage synthesis markers type II collagen (Col-2) and SRY-Box Transcription Factor 9 (Sox-9) increased significantly after calycosin gavage. While cartilage matrix degradation index cyclooxygenase-2 (COX-2), phosphor-epidermal growth factor receptor (p-EGFR), and matrix metalloproteinase-9 (MMP9) expression were decreased. With the help of network pharmacology and molecular docking, these results were confirmed in chondrocyte ATDC5 cells. Our results indicated that the calycosin treatment significantly improved cartilage damage, this was probably attributed to reversing the imbalance between chondrocyte synthesis and catabolism.Keywords: calycosin, osteoarthritis, network pharmacology, molecular docking, inflammatory, cyclooxygenase 2
Procedia PDF Downloads 1022966 Ammonia Adsorption Properties of Composite Ammonia Carriers Obtained by Supporting Metal Chloride on Porous Materials
Authors: Cheng Shen, LaiHong Shen
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Ammonia is an important carrier of hydrogen energy, with the characteristics of high hydrogen content density and no carbon dioxide emission. Ammonia synthesis by the Haber process is the main method for industrial ammonia synthesis, but the conversion rate of ammonia per pass is only about 12%, while the conversion rate of biomass synthesis ammonia is as high as 56%. Therefore, safe and efficient ammonia capture for ammonia synthesis from biomass is an important way to alleviate the energy crisis and solve the energy problem. Metal chloride has a chemical adsorption effect on ammonia, and can be desorbed at high temperature to obtain high-concentration ammonia after combining with ammonia, which has a good development prospect in ammonia capture and separation technology. In this paper, the ammonia adsorption properties of CuCl₂ were measured, and the composite adsorbents were prepared by using silicon and multi-walled carbon nanotubes respectively to support CuCl₂, and the ammonia adsorption properties of the composite adsorbents were studied. The study found that the ammonia adsorption capacity of the three adsorbents decreased with the increase in temperature, so metal chlorides were more suitable for the low-temperature adsorption of ammonia. Silicon and multi-walled carbon nanotubes have an enhanced effect on the ammonia adsorption of CuCl₂. The reason is that the porous material itself has a physical adsorption effect on ammonia, and silicon can play the role of skeleton support in cupric chloride particles, which enhances the pore structure of the adsorbent, thereby alleviating sintering.Keywords: ammonia, adsorption properties, metal chloride, silicon, MWCNTs
Procedia PDF Downloads 1122965 Theoretical Modelling of Molecular Mechanisms in Stimuli-Responsive Polymers
Authors: Catherine Vasnetsov, Victor Vasnetsov
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Context: Thermo-responsive polymers are materials that undergo significant changes in their physical properties in response to temperature changes. These polymers have gained significant attention in research due to their potential applications in various industries and medicine. However, the molecular mechanisms underlying their behavior are not well understood, particularly in relation to cosolvency, which is crucial for practical applications. Research Aim: This study aimed to theoretically investigate the phenomenon of cosolvency in long-chain polymers using the Flory-Huggins statistical-mechanical framework. The main objective was to understand the interactions between the polymer, solvent, and cosolvent under different conditions. Methodology: The research employed a combination of Monte Carlo computer simulations and advanced machine-learning methods. The Flory-Huggins mean field theory was used as the basis for the simulations. Spinodal graphs and ternary plots were utilized to develop an initial computer model for predicting polymer behavior. Molecular dynamic simulations were conducted to mimic real-life polymer systems. Machine learning techniques were incorporated to enhance the accuracy and reliability of the simulations. Findings: The simulations revealed that the addition of very low or very high volumes of cosolvent molecules resulted in smaller radii of gyration for the polymer, indicating poor miscibility. However, intermediate volume fractions of cosolvent led to higher radii of gyration, suggesting improved miscibility. These findings provide a possible microscopic explanation for the cosolvency phenomenon in polymer systems. Theoretical Importance: This research contributes to a better understanding of the behavior of thermo-responsive polymers and the role of cosolvency. The findings provide insights into the molecular mechanisms underlying cosolvency and offer specific predictions for future experimental investigations. The study also presents a more rigorous analysis of the Flory-Huggins free energy theory in the context of polymer systems. Data Collection and Analysis Procedures: The data for this study was collected through Monte Carlo computer simulations and molecular dynamic simulations. The interactions between the polymer, solvent, and cosolvent were analyzed using the Flory-Huggins mean field theory. Machine learning techniques were employed to enhance the accuracy of the simulations. The collected data was then analyzed to determine the impact of cosolvent volume fractions on the radii of gyration of the polymer. Question Addressed: The research addressed the question of how cosolvency affects the behavior of long-chain polymers. Specifically, the study aimed to investigate the interactions between the polymer, solvent, and cosolvent under different volume fractions and understand the resulting changes in the radii of gyration. Conclusion: In conclusion, this study utilized theoretical modeling and computer simulations to investigate the phenomenon of cosolvency in long-chain polymers. The findings suggest that moderate cosolvent volume fractions can lead to improved miscibility, as indicated by higher radii of gyration. These insights contribute to a better understanding of the molecular mechanisms underlying cosolvency in polymer systems and provide predictions for future experimental studies. The research also enhances the theoretical analysis of the Flory-Huggins free energy theory.Keywords: molecular modelling, flory-huggins, cosolvency, stimuli-responsive polymers
Procedia PDF Downloads 702964 Functionalized DOX Nanocapsules by Iron Oxide Nanoparticles for Targeted Drug Delivery
Authors: Afsaneh Ghorbanzadeh, Afshin Farahbakhsh, Zakieh Bayat
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The drug capsulation was used for release and targeted delivery in determined time, place and temperature or pH. The DOX nanocapsules were used to reduce and to minimize the unwanted side effects of drug. In this paper, the encapsulation methods of doxorubicin (DOX) and the labeling it by the magnetic core of iron (Fe3O4) has been studied. The Fe3O4 was conjugated with DOX via hydrazine bond. The solution was capsuled by the sensitive polymer of heat or pH such as chitosan-g-poly (N-isopropylacrylamide-co-N,N-dimethylacrylamide), dextran-g-poly(N-isopropylacrylamide-co-N,N-dimethylacrylamide) and mPEG-G2.5 PAMAM by hydrazine bond. The drug release was very slow at temperatures lower than 380°C. There was a rapid and controlled drug release at temperatures higher than 380°C. According to experiments, the use mPEG-G2.5PAMAM is the best method of DOX nanocapsules synthesis, because in this method, the drug delivery time to certain place is lower than other methods and the percentage of released drug is higher. The synthesized magnetic carrier system has potential applications in magnetic drug-targeting delivery and magnetic resonance imaging.Keywords: drug carrier, drug release, doxorubicin, iron oxide NPs
Procedia PDF Downloads 4172963 Monitoring Synthesis of Biodiesel through Online Density Measurements
Authors: Arnaldo G. de Oliveira, Jr, Matthieu Tubino
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The transesterification process of triglycerides with alcohols that occurs during the biodiesel synthesis causes continuous changes in several physical properties of the reaction mixture, such as refractive index, viscosity and density. Amongst them, density can be an useful parameter to monitor the reaction, in order to predict the composition of the reacting mixture and to verify the conversion of the oil into biodiesel. In this context, a system was constructed in order to continuously determine changes in the density of the reacting mixture containing soybean oil, methanol and sodium methoxide (30 % w/w solution in methanol), stirred at 620 rpm at room temperature (about 27 °C). A polyethylene pipe network connected to a peristaltic pump was used in order to collect the mixture and pump it through a coil fixed on the plate of an analytical balance. The collected mass values were used to trace a curve correlating the mass of the system to the reaction time. The density variation profile versus the time clearly shows three different steps: 1) the dispersion of methanol in oil causes a decrease in the system mass due to the lower alcohol density followed by stabilization; 2) the addition of the catalyst (sodium methoxide) causes a larger decrease in mass compared to the first step (dispersion of methanol in oil) because of the oil conversion into biodiesel; 3) the final stabilization, denoting the end of the reaction. This density variation profile provides information that was used to predict the composition of the mixture over the time and the reaction rate. The precise knowledge of the duration of the synthesis means saving time and resources on a scale production system. This kind of monitoring provides several interesting features such as continuous measurements without collecting aliquots.Keywords: biodiesel, density measurements, online continuous monitoring, synthesis
Procedia PDF Downloads 5752962 Stimuli Responsives of Crosslinked Poly on 2-HydroxyEthyl MethAcrylate – Optimization of Parameters by Experimental Design
Authors: Tewfik Bouchaour, Salah Hamri, Yasmina Houda Bendahma, Ulrich Maschke
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Stimuli-responsive materials based on UV crosslinked acrylic polymer networks are fabricated. A various kinds of polymeric systems, hydrophilic polymers based on 2-Hydroxyethyl methacrylate have been widely studied because of their ability to simulate biological tissues, which leads to many applications. The acrylic polymer network PHEMA developed by UV photopolymerization has been used for dye retention. For these so-called smart materials, the properties change in response to an external stimulus. In this contribution, we report the influence of some parameters (initial composition, temperature, and nature of components) in the properties of final materials. Optimization of different parameters is examined by experimental design.Keywords: UV photo-polymerization, PHEMA, external stimulus, optimization
Procedia PDF Downloads 2552961 Nanohybrids for Energy Storage Devices
Authors: O. Guellati, A. Harat, F. Djefaflia, N. Habib, A. Nait-Merzoug, J. El Haskouri, D. Momodu, N. Manyala, D. Bégin, M. Guerioune
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We report a facile and low-cost free-template synthesis method was used to synthesize mesoporous smart multifunctional nanohybrids based on Graphene/PANI nanofibers micro/nanostructures with very interesting physic-chemical properties and faradic electrochemical behavior of these products was investigated. These nanohybrid products have been characterized quantitatively and qualitatively using different techniques, such as XRD / FTIR, Raman, XPS spectroscopy, Field Emission SEM and High-Resolution TEM microscopy, BET textural analysis, electrochemical measurements (CV, CD, EIS). Moreover, the electrochemical measurements performed in a 6 M KOH aqueous electrolyte depicted excellent electrochemical performance ascribed to the optimized composition of hydroxides et PANI nanofibers. An exceptionally notable specific capacitance between 800 and 2000 F. g-1 was obtained at 5 mV. s-1 scan rate for these synthesized products depends on the optimized growth conditions. We found much better nanohybrids by reinforcing hydroxides or conduction polymer nanofibers with carbonaceous nanomaterials depicting their potential as suitable materials for energy storage devices.Keywords: nanohybrid materials, conducting polymers, carbonaceous nanomaterials, supercapacitors, energy storage
Procedia PDF Downloads 712960 A Crystallization Kinetic Model for Long Fiber-Based Composite with Thermoplastic Semicrystalline Polymer Matrix
Authors: Nicolas Bigot, M'hamed Boutaous, Nahiene Hamila, Shihe Xin
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Composite materials with polymer matrices are widely used in most industrial areas, particularly in aeronautical and automotive ones. Thanks to the development of a high-performance thermoplastic semicrystalline polymer matrix, those materials exhibit more and more efficient properties. The polymer matrix in composite materials can manifest a specific crystalline structure characteristic of crystallization in a fibrous medium. In order to guarantee a good mechanical behavior of structures and to optimize their performances, it is necessary to define realistic mechanical constitutive laws of such materials considering their physical structure. The interaction between fibers and matrix is a key factor in the mechanical behavior of composite materials. Transcrystallization phenomena which develops in the matrix around the fibers constitute the interphase which greatly affects and governs the nature of the fiber-matrix interaction. Hence, it becomes fundamental to quantify its impact on the thermo-mechanical behavior of composites material in relationship with processing conditions. In this work, we propose a numerical model coupling the thermal and crystallization kinetics in long fiber-based composite materials, considering both the spherulitic and transcrystalline types of the induced structures. After validation of the model with comparison to results from the literature and noticing a good correlation, a parametric study has been led on the effects of the thermal kinetics, the fibers volume fractions, the deformation, and the pressure on the crystallization rate in the material, under processing conditions. The ratio of the transcrystallinity is highlighted and analyzed with regard to the thermal kinetics and gradients in the material. Experimental results on the process are foreseen and pave the way to establish a mechanical constitutive law describing, with the introduction of the role on the crystallization rates and types on the thermo-mechanical behavior of composites materials.Keywords: composite materials, crystallization, heat transfer, modeling, transcrystallization
Procedia PDF Downloads 1922959 A Comparative Study on Creep Modeling in Composites
Authors: Roham Rafiee, Behzad Mazhari
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Composite structures, having incredible properties, have gained considerable popularity in the last few decades. Among all types, polymer matrix composites are being used extensively due to their unique characteristics including low weight, convenient fabrication process and low cost. Having polymer as matrix, these type of composites show different creep behavior when compared to metals and even other types of composites since most polymers undergo creep even in room temperature. One of the most challenging topics in creep is to introduce new techniques for predicting long term creep behavior of materials. Depending on the material which is being studied the appropriate method would be different. Methods already proposed for predicting long term creep behavior of polymer matrix composites can be divided into five categories: (1) Analytical Modeling, (2) Empirical Modeling, (3) Superposition Based Modeling (Semi-empirical), (4) Rheological Modeling, (5) Finite Element Modeling. Each of these methods has individual characteristics. Studies have shown that none of the mentioned methods can predict long term creep behavior of all PMC composites in all circumstances (loading, temperature, etc.) but each of them has its own priority in different situations. The reason to this issue can be found in theoretical basis of these methods. In this study after a brief review over the background theory of each method, they are compared in terms of their applicability in predicting long-term behavior of composite structures. Finally, the explained materials are observed through some experimental studies executed by other researchers.Keywords: creep, comparative study, modeling, composite materials
Procedia PDF Downloads 4412958 Dynamics Characterizations of Dielectric Electro- Active Polymer Pull Actuator for Vibration Control
Authors: Abdul Malek Abdul Wahab, Emiliano Rustighi
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The elastomeric dielectric material has become a new alternative for actuator technology recently. The characteristic of dielectric elastomer that induces significant strain by applying voltage attracts the attention of many researchers to study this material in actuator technology. Thus, for a couple of years, Danfoss Ventures A/S has established their dielectric electro-active polymer (DEAP), which called Polypower. The main objective of this work was to investigate the characterization of PolyPower folded actuator as a ‘pull’ actuator for vibration control. A range of experiment was carried out on folded actuator including passive (without electrical stimulate) and active (with electrical stimulate) testing. For both categories static and dynamic testing have been done to determine the behavior of folded DEAP actuator. Voltage-Strain experiment determines that DEAP folded actuator is the non-linear system. The voltage supplied has no effect on the natural frequency which shows by ongoing dynamic testing. Finally, varies AC voltage with different amplitude and frequency has been provided to DEAP folded actuator. This experiment shows the parameter that influences the performance of DEAP folded actuator. As a result, the actuator performance dominated by the frequency dependence of the elastic response and was less influenced by dielectric properties.Keywords: elastomeric dielectric, dielectric electro-active polymer, folded actuator, voltage-strain
Procedia PDF Downloads 3182957 Microwave Assisted Synthesis of Ag/ZnO Sub-Microparticles Deposited on Various Cellulose Surfaces
Authors: Lukas Munster, Pavel Bazant, Ivo Kuritka
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Zinc oxide sub-micro particles and metallic silver nano particles (Ag/ZnO) were deposited on micro crystalline cellulose surface by a fast, simple and environmentally friendly one-pot microwave assisted solvo thermal synthesis in an open vessel system equipped with an external reflux cooler. In order to increase the interaction between the surface of cellulose and the precipitated Ag/ZnO particles, oxidized form of cellulose (cellulose dialdehyde, DAC) prepared by periodate oxidation of micro crystalline cellulose was added to the reaction mixture of Ag/ZnO particle precursors and untreated micro crystalline cellulose. The structure and morphology of prepared hybrid powder materials were analysed by X-ray diffraction (XRD), energy dispersive analysis (EDX), scanning electron microscopy (SEM) and nitrogen absorption method (BET). Microscopic analysis of the prepared materials treated by ultra-sonication showed that Ag/ZnO particles deposited on the cellulose/DAC sample exhibit increased adhesion to the surface of the cellulose substrate which can be explained by the DAC adhesive effect in comparison with the material prepared without DAC addition.Keywords: microcrystalline cellulose, microwave synthesis, silver nanoparticles, zinc oxide sub-microparticles, cellulose dialdehyde
Procedia PDF Downloads 4782956 Non Destructive Testing for Evaluation of Defects and Interfaces in Metal Carbon Fiber Reinforced Polymer Hybrids
Authors: H.-G. Herrmann, M. Schwarz, J. Summa, F. Grossmann
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In this work, different non-destructive testing methods for the characterization of defects and interfaces are presented. It is shown that, by means of active thermography, defects in the interface and in the carbon fiber reinforced polymer (CFRP) itself can be detected and determined. The bonding of metal and thermoplastic can be characterized very well by ultrasonic testing with electromagnetic acoustic transducers (EMAT). Mechanical testing is combined with passive thermography to correlate mechanical values with the defect-size. There is also a comparison between active and passive thermography. Mechanical testing shows the influence of different defects. Furthermore, a correlation of defect-size and loading to rupture was performed.
Keywords: defect evaluation, EMAT, mechanical testing, thermography
Procedia PDF Downloads 4212955 The Role of Initiator in the Synthesis of Poly(Methyl Methacrylate)-Layered Silicate Nanocomposites through Bulk Polymerization
Authors: Tsung-Yen Tsai, Naveen Bunekar, Ming Hsuan Chang, Wen-Kuang Wang, Satoshi Onda
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The structure-property relationship and initiator effect on bulk polymerized poly(methyl methacrylate) (PMMA)–oragnomodified layered silicate nanocomposites was investigated. In this study, we used 2, 2'-azobis (4-methoxy-2,4-dimethyl valeronitrile and benzoyl peroxide initiators for bulk polymerization. The bulk polymerized nanocomposites’ morphology was investigated by X-ray diffraction and transmission electron microscopy. The type of initiator strongly influences the physiochemical properties of the polymer nanocomposite. The thermal degradation of PMMA in the presence of nanofiller was studied. 5 wt% weight loss temperature (T5d) increased as compared to pure PMMA. The peak degradation temperature increased for the nanocomposites. Differential scanning calorimetry and dynamic mechanical analysis were performed to investigate the glass transition temperature and the nature of the constrained region as the reinforcement mechanism respectively. Furthermore, the optical properties such as UV-Vis and Total Luminous Transmission of nanocomposites are examined.Keywords: initiator, bulk polymerization, layered silicates, methyl methacrylate
Procedia PDF Downloads 2922954 Recovery of Polymers from Electronic Waste - An Analysis
Authors: Anis A. Ansari, Syed Javed Arif
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From the last two-three decades, all countries are continuously generating huge quantities of electronic waste in the form of obsolete computers, gadgets and other discarded electronic instruments mainly due to evolution of newer technologies as a result of constant efforts in research and development in this area. This is the primary reason why waste from the electronic industry is increasing exponentially day by day. Thermoset and thermoplastic polymers, which are the major constituents in every electronic waste, may create a new business opportunity if these are recovered and recycled properly. This may reduce our directly dependency on petroleum and petro-products for polymer materials and also create a potential market for recycled polymers to improve economy. The main theme of this paper is to evolve the potential of recovery and recycling of polymers from the waste being generated globally in the form of discarded electronic products.Keywords: polymer recovery, electronic waste, petroleum, thermoplastics
Procedia PDF Downloads 5042953 Beijerinckia indica Extracellular Extract Mediated Green Synthesis of Silver Nanoparticles with Antioxidant and Antibacterial Activities against Clinical Pathogens
Authors: Gopalu Karunakaran, Matheswaran Jagathambal, Nguyen Van Minh, Evgeny Kolesnikov, Denis Kuznetsov
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This work investigated the use of Beijerinckia indica extracellular extract for the synthesis of silver nanoparticles using AgNO3. The formation of nanoparticles was confirmed by different methods, such as UV-Vis absorption spectroscopy, XRD, FTIR, EDX, and TEM analysis. The formation of silver nanoparticles (AgNPs) was confirmed by the change in color from light yellow to dark brown. The absorbance peak obtained at 430 nm confirmed the presence of silver nanoparticles. The XRD analysis showed the cubic crystalline phase of the synthesized nanoparticles. FTIR revealed the presence of groups that acts as stabilizing and reducing agents for silver nanoparticles formation. The synthesized silver nanoparticles were generally found to be spherical in shape with size ranging from 5 to 20 nm, as evident by TEM analysis. These nanoparticles were found to inhibit pathogenic bacterial strains. This work proved that the bacterial extract is a potential eco-friendly candidate for the synthesis of silver nanoparticles with promising antibacterial and antioxidant properties.Keywords: antioxidant activity, antimicrobial activity, Beijerinckia indica, characterisation, extracellular extracts, silver nanoparticles
Procedia PDF Downloads 3402952 Swelling Behavior of Cross-Linked Poly (2-hydroxyethyl methacrylate)
Authors: Salah Hamri, Tewfik Bouchaour, Ulrich Maschke
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The aim of this works is the study of swelling ratio of cross-linked polymer networks poly (2-hydroxyethyl methacrylate) (PHEMA). The system composed of erythrosine and Triethanolamine, in aqueous medium, is used as photo-initiator and 1,6-Hexanediol diacrylate as cross-linker. The analysis of UV-visible and infrared spectra, which were taken at different times during polymerization/cross linking, makes it possible to obtain useful information on the reaction mechanism. The swelling behavior was study by changing the nature of solvent, dye sensitizer (erythrosine, rose Bengal and eosin), and pH of the medium. The exploitation of experimental results using Fick diffusion model is also expected and shows a good correlation between theoretical and experimental results.Keywords: cross-linker, photo-sensitizer, polymer network, swelling ratio
Procedia PDF Downloads 316