Search results for: Polymer Plasticity
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1701

Search results for: Polymer Plasticity

1011 Enhancing the Engineering Properties of Clay by Using Mechanically Treated Rice Straw Fibers

Authors: Saeedullah J. Mandokhail, Meer H. Khan, Muhibullah Kakar

Abstract:

The studies on the mechanical behavior of randomly distributed short fiber soil composite are relatively new technique in geotechnical engineering. In this paper, mechanically treated rice straw (MTRS) fiber is used to improve the engineering properties of clay. Clay was mixed with 0 %, 0.5 %, 1 % and 2 % of MTRS fiber to analyze the effect of MTRS fiber on properties of soil. It was found that the plasticity index of soil decreases with increase in the MTRS fiber. Cohesion and angle of internal friction of soil were also found to increase with limiting increase in the amount of MTRS fiber and then decreases. The maximum dry density slightly decreases and the optimum moisture content slightly increases with increasing amount of MTRS fibers.

Keywords: cohesion, friction angle, optimum moisture content, rice straw fiber, short fiber

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1010 Effect of Low Plastic Clay Quantity on Behavioral Characteristics of Loose Sand

Authors: Roza Rahbari

Abstract:

After the Nigatta earthquake in Japan, in 1960, the liquefaction and its related hazards, moved to the thick of matter. Most of the research have been carried out on clean sands and silty sands so far, in order to study the effect of fine particles, confinement pressures, density and so on. However, because of this delusion that adhesiveness of clay prevents the liquefaction in sand, studies on clayey sands have not been taken seriously. However, several liquefactions happened in clayey sands in recent years, and lead to the necessity of more studies in this field. The studies which were carried out so far focused on high plastic clays. In this paper, the effect of low plasticity clays on the behavioral characteristics of sands is discussed. Thus, some triaxial tests were carried out on clean sands and clayey sands with different percentages of added clay. Specimens were compacted in various densities to study the effect of quantity of clay on various densities, too. Based on the findings, the amount of clay affects the behavior of sand greatly and leads to substantial changes in peak bearing capacity and steady state values.

Keywords: liquefaction, clay, sand, triaxial, monotonic, failure

Procedia PDF Downloads 238
1009 Bond Strength of Different Strengthening Systems: Concrete Elements under Freeze–Thaw Cycles and Salt Water Immersion Exposure

Authors: Firas Al-Mahmoud, Jean-Michel Mechling, Mohamed Shaban

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The long-term durability of fibre reinforced polymer (FRP) composites is often stated as being the main reason for the use of these materials. Indeed, structures externally or Near Surface Mounted (NSM) reinforced with Carbon Fibre Reinforcement Polymer CFRP are often in contact with temperature cycles and salt water immersion and other environmental conditions that reduce the expected durability of the system. Bond degradation is a frequent cause of premature failure of structural elements and environmental conditions are known to relate to such failures. The purpose of this study is to investigate the effect of environmental exposure on the bond for different CFRP strengthening systems. Bending tests were conducted to evaluate the bond with and without environmental exposure. The specimens were strengthened with CFRP sheets, CFRP plates and NSM CFRP rods embedded in two filling materials: epoxy resin and mortar. Then, they were exposed to up to 300 freeze–thaw cycles. One freeze–thaw cycle consisted of four stages according to ASTM or immersed in 3.5% salted tap water. A total of thirty-six specimens were prepared for this purpose. Results showed a decrease in ultimate bond strength for specimens strengthened by CFRP sheets that were immersed in salt water for 120 days, while a reduction was shown for CFRP sheet and plate bonded specimens that were subjected to 300 freeze–thaw cycles. Exposing NSM CFRP rod strengthened specimens, embedded in resin or mortar, to freeze–thaw cycles or to immersion in salt water does not affect the bond strength.

Keywords: durability, strengthening, FRP, bond, freeze–thaw

Procedia PDF Downloads 343
1008 Machine Learning Prediction of Compressive Damage and Energy Absorption in Carbon Fiber-Reinforced Polymer Tubular Structures

Authors: Milad Abbasi

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Carbon fiber-reinforced polymer (CFRP) composite structures are increasingly being utilized in the automotive industry due to their lightweight and specific energy absorption capabilities. Although it is impossible to predict composite mechanical properties directly using theoretical methods, various research has been conducted so far in the literature for accurate simulation of CFRP structures' energy-absorbing behavior. In this research, axial compression experiments were carried out on hand lay-up unidirectional CFRP composite tubes. The fabrication method allowed the authors to extract the material properties of the CFRPs using ASTM D3039, D3410, and D3518 standards. A neural network machine learning algorithm was then utilized to build a robust prediction model to forecast the axial compressive properties of CFRP tubes while reducing high-cost experimental efforts. The predicted results have been compared with the experimental outcomes in terms of load-carrying capacity and energy absorption capability. The results showed high accuracy and precision in the prediction of the energy-absorption capacity of the CFRP tubes. This research also demonstrates the effectiveness and challenges of machine learning techniques in the robust simulation of composites' energy-absorption behavior. Interestingly, the proposed method considerably condensed numerical and experimental efforts in the simulation and calibration of CFRP composite tubes subjected to compressive loading.

Keywords: CFRP composite tubes, energy absorption, crushing behavior, machine learning, neural network

Procedia PDF Downloads 145
1007 Bearing Capacity Improvement in a Silty Clay Soil with Crushed Polyethylene Terephthalate

Authors: Renzo Palomino, Alessandra Trujillo, Lidia Pacheco

Abstract:

The document presents a study based on the incremental bearing capacity of silty clay soil with the incorporation of crushed PET fibers. For a better understanding of the behavior of soil, it is necessary to know its origin. The analyzed samples came from the subgrade layer of a highway that connects the cities of Muniches and Yurimaguas in Loreto, Peru. The material in this area usually has properties such as low support index, medium to high plasticity, and other characteristics that make it considered a ‘problematic’ soil due to factors such as climate, humidity, and geographical location. In addition, PET fibers are obtained from the decomposition of plastic bottles that are polluting agents with a high production rate in our country; in that sense, their use in a construction process represents a considerable reduction in environmental impact. Moreover, to perform a precise analysis of the behavior of this soil mixed with PET, tests such as the hydrometer test, Proctor and CBR with 15%, 10%, 5%, 4%, 3%, and 1% of PET with respect to the mass of the sample of natural soil were carried out. The results show that when a low percentage of PET is used, the support index increases.

Keywords: environmental impact, geotechnics, PET, silty clay soil

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1006 Effect of Glass Powder and GGBS on Strength of Fly Ash Based Geopolymer Concrete

Authors: I. Ramesha Mithanthaya, N. Bhavanishankar Rao

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In this study, the effect of glass powder (GP) and ground granulated blast furnace slag (GGBS) on the compressive strength of Fly ash based geopolymer concrete has been investigated. The mass ratio of fine aggregate (fA) to coarse aggregate (CA) was maintained constant. NAOH flakes dissolved in water was used as activating liquid and mixed with fly ash (FA) to produce geopolymer paste or cementing material. This paste was added to mixture of CA and fA to obtain geopolymer concrete. Cube samples were prepared from this concrete. The ranges of investigation parameters include GP/FA from 0% to 20%, and GGBS/ FA from 0% to 20% with constant amount of GP. All the samples were air cured inside laboratory under room temperature. Compressive strength of cube samples after 7 days and 28 days curing were determined. The test results are presented and discussed. Based on the results of limited tests a suitable composition of FA, GP and GGBS for constant quantity of CA and fA has been obtained to produce geopolymer concrete of M32. It is found that geopolymer concrete is 14% cheaper than concrete of same strength using OPC. The strength gain in the case of geo-polymer concrete is rather slow compared to that of Portland cement concrete. Tensile strength of this concrete was also determined by conducting flexure test on beam prepared using this concrete. During curing, up to 7days, greyish-white powder used to come out from all the surfaces of sample and it was found to be a mixture of Carbonates and Sulphides of Na, Mg and Fe. Detailed investigation is necessary to arrive at an optimum mixture composition for producing Geo-polymer concrete of required strength. Effect of greyish-white powder on the strength and durability of the concrete is to be studied.

Keywords: geopolymer, industrial waste, green material, cost effective material, eco-friendly material

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1005 Polymeric Microspheres for Bone Tissue Engineering

Authors: Yamina Boukari, Nashiru Billa, Andrew Morris, Stephen Doughty, Kevin Shakesheff

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Poly (lactic-co-glycolic) acid (PLGA) is a synthetic polymer that can be used in bone tissue engineering with the aim of creating a scaffold in order to support the growth of cells. The formation of microspheres from this polymer is an attractive strategy that would allow for the development of an injectable system, hence avoiding invasive surgical procedures. The aim of this study was to develop a microsphere delivery system for use as an injectable scaffold in bone tissue engineering and evaluate various formulation parameters on its properties. Porous and lysozyme-containing PLGA microspheres were prepared using the double emulsion solvent evaporation method from various molecular weights (MW). Scaffolds were formed by sintering to contain 1 -3mg of lysozyme per gram of scaffold. The mechanical and physical properties of the scaffolds were assessed along with the release of lysozyme, which was used as a model protein. The MW of PLGA was found to have an influence on microsphere size during fabrication, with increased MW leading to an increased microsphere diameter. An inversely proportional relationship was displayed between PLGA MW and mechanical strength of formed scaffolds across loadings for low, intermediate and high MW respectively. Lysozyme release from both microspheres and formed scaffolds showed an initial burst release phase, with both microspheres and scaffolds fabricated using high MW PLGA showing the lowest protein release. Following the initial burst phase, the profiles for each MW followed a similar slow release over 30 days. Overall, the results of this study demonstrate that lysozyme can be successfully incorporated into porous PLGA scaffolds and released over 30 days in vitro, and that varying the MW of the PLGA can be used as a method of altering the physical properties of the resulting scaffolds.

Keywords: bone, microspheres, PLGA, tissue engineering

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1004 Enhanced Thermal and Electrical Properties of Terbium Manganate-Polyvinyl Alcohol Nanocomposite Film

Authors: Monalisa Halder, Amit K. Das, Ajit K. Meikap

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Polymer nanocomposites are very significant materials both in academia and industry for diverse potential applicability in electronics. Polymer plays the role of matrix element which has low density, flexibility, good mechanical strength and electrical properties. Use of nanosized multiferroic filler in the polymer matrix is suitable to achieve nanocomposites with enhanced magneto-dielectric effect and good mechanical properties both at the same time. Multiferroic terbium manganate (TbMnO₃) nanoparticles have been synthesized by sol-gel method using chloride precursors. Terbium manganate-polyvinyl alcohol (TbMnO₃-PVA) nanocomposite film has been prepared by solution casting method. Crystallite size of TbMnO₃ nanoparticle has been calculated to be ~ 40 nm from XRD analysis. Morphological study of the samples has been done by scanning electron microscopy and a well dispersion of the nanoparticles in the PVA matrix has been found. Thermogravimetric analysis (TGA) exhibits enhancement of thermal stability of the nanocomposite film with the inclusion of TbMnO₃ nanofiller in PVA matrix. The electrical transport properties of the nanocomposite film sample have been studied in the frequency range 20Hz - 2MHz at and above room temperature. The frequency dependent variation of ac conductivity follows universal dielectric response (UDR) obeying Jhonscher’s sublinear power law. Correlated barrier hopping (CBH) mechanism is the dominant charge transport mechanism with maximum barrier height 19 meV above room temperature. The variation of dielectric constant of the sample with frequency has been studied at different temperatures. Real part of dielectric constant at 1 KHz frequency at room temperature of the sample is found to be ~ 8 which is higher than that of the pure PVA film sample (~ 6). Dielectric constant decreases with the increase in frequency. Relaxation peaks have been observed in the variation of imaginary part of electric modulus with frequency. The relaxation peaks shift towards higher frequency as temperature increases probably due to the existence of interfacial polarization in the sample in presence of applied electric field. The current-voltage (I-V) characteristics of the nanocomposite film have been studied under ±40 V applied at different temperatures. I-V characteristic exhibits temperature dependent rectifying nature indicating the formation of Schottky barrier diode (SBD) with barrier height 23 meV. In conclusion, using multiferroic TbMnO₃ nanofiller in PVA matrix, enhanced thermal stability and electrical properties can be achieved.

Keywords: correlated barrier hopping, nanocomposite, schottky diode, TbMnO₃, TGA

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1003 A Facile Nanocomposite of Graphene Oxide Reinforced Chitosan/Poly-Nitroaniline Polymer as a Highly Efficient Adsorbent for Extracting Polycyclic Aromatic Hydrocarbons from Tea Samples

Authors: Adel M. Al-Shutairi, Ahmed H. Al-Zahrani

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Tea is a popular beverage drunk by millions of people throughout the globe. Tea has considerable health advantages, in-cluding antioxidant, antibacterial, antiviral, chemopreventive, and anticarcinogenic properties. As a result of environmental pollution (atmospheric deposition) and the production process, tealeaves may also include a variety of dangerous substances, such as polycyclic aromatic hydrocarbons (PAHs). In this study, graphene oxide reinforced chitosan/poly-nitroaniline polymer was prepared to develop a sensitive and reliable solid phase extraction method (SPE) for extraction of PAH7 in tea samples, followed by high-performance liquid chromatography- fluorescence detection. The prepared adsorbent was validated in terms of linearity, the limit of detection, the limit of quantification, recovery (%), accuracy (%), and precision (%) for the determination of the PAH7 (benzo[a]pyrene, benzo[a]anthracene, benzo[b]fluoranthene, chrysene, benzo[b]fluoranthene, Dibenzo[a,h]anthracene and Benzo[g,h,i]perylene) in tea samples. The concentration was determined in two types of tea commercially available in Saudi Arabia, including black tea and green tea. The maximum mean of Σ7PAHs in black tea samples was 68.23 ± 0.02 ug kg-1 and 26.68 ± 0.01 ug kg-1 in green tea samples. The minimum mean of Σ7PAHs in black tea samples was 37.93 ± 0.01 ug kg-1 and 15.26 ± 0.01 ug kg-1 in green tea samples. The mean value of benzo[a]pyrene in black tea samples ranged from 6.85 to 12.17 ug kg-1, where two samples exceeded the standard level (10 ug kg-1) established by the European Union (UE), while in green tea ranged from 1.78 to 2.81 ug kg-1. Low levels of Σ7PAHs in green tea samples were detected in comparison with black tea samples.

Keywords: polycyclic aromatic hydrocarbons, CS, PNA and GO, black/green tea, solid phase extraction, Saudi Arabia

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1002 Surface Erosion and Slope Stability Assessment of Cut and Fill Slope

Authors: Kongrat Nokkaew

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This article assessed the surface erosion and stability of cut and fill slope in the excavation of the detention basin, Kalasin Province, Thailand. The large excavation project was built to enlarge detention basin for relieving repeated flooding and drought which usually happen in this area. However, at the end of the 1st rainstorm season, severely erosions slope failures were widespread observed. After investigation, the severity of erosions and slope failure were classified into five level from sheet erosion (Level 1), rill erosion (Level 2, 3), gully erosion (Level 4), and slope failure (Level 5) for proposing slope remediation. The preliminary investigation showed that lack of runoff control were the major factors of the surface erosions while insufficient compacted of the fill slope leaded to slopes failures. The slope stability of four selected slope failure was back calculated by using Simplified Bishop with Seep-W. The result show that factor of safety of slope located on non-plasticity sand was less than one, representing instability of the embankment slope. Such analysis agreed well with the failures observed in the field.

Keywords: surface erosion, slope stability, detention basin, cut and fill

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1001 The Impact of Liquid Glass-Infused Lignin Waste Particles on Performance of Polyurethane Foam for Building Industry

Authors: Agnė Kairyte, Saulius Vaitkus

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The gradual depletion of fossil feedstock and growing environmental concerns attracted extensive attention to natural resources due to their low cost, high abundance, renewability, sustainability, and biodegradability. Lignin is a significant by-product of the pulp and paper industry, having unique functional groups. Recently it became interesting for the manufacturing of high value-added products such as polyurethane and polyisocyanurate foams. This study focuses on the development of high-performance polyurethane foams with various amounts of lignin as a filler. It is determined that the incorporation of lignin as a filler material results in brittle and hard products due to the low molecular mobility of isocyanates and the inherent stiffness of lignin. Therefore, the current study analyses new techniques and possibilities of liquid glass infusion onto the surface of lignin particles to reduce the negative aspects and improve the performance characteristics of the modified foams. The foams modified with sole lignin and liquid glass-infused lignin had an apparent density ranging from 35 kg/m3 to 45 kg/m3 and closed-cell content (80–90%). The incorporation of sole lignin reduced the compressive and tensile strengths and increased dimensional stability and water absorption, while the contrary results were observed for polyurethane foams with liquid glass-infused lignin particles. The effect on rheological parameters of lignin and liquid glass infused lignin modified polyurethane premixes and morphology of polyurethane foam products were monitored to optimize the conditions and reveal the significant influence of the interaction between particles and polymer matrix.

Keywords: filler, lignin waste, liquid glass, polymer matrix, polyurethane foam, sustainability

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1000 Alternative of Lead-Based Ionization Radiation Shielding Property: Epoxy-Based Composite Design

Authors: Md. Belal Uudin Rabbi, Sakib Al Montasir, Saifur Rahman, Niger Nahid, Esmail Hossain Emon

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The practice of radiation shielding protects against the detrimental effects of ionizing radiation. Radiation shielding depletes radiation by inserting a shield of absorbing material between any radioactive source. It is a primary concern when building several industrial fields, so using potent (high activity) radioisotopes in food preservation, cancer treatment, and particle accelerator facilities is significant. Radiation shielding is essential for radiation-emitting equipment users to reduce or mitigate radiation damage. Polymer composites (especially epoxy based) with high atomic number fillers can replace toxic Lead in ionizing radiation shielding applications because of their excellent mechanical properties, superior solvent and chemical resistance, good dimensional stability, adhesive, and less toxic. Due to being lightweight, good neutron shielding ability in almost the same order as concrete, epoxy-based radiation shielding can be the next big thing. Micro and nano-particles for the epoxy resin increase the epoxy matrix's radiation shielding property. Shielding is required to protect users of such facilities from ionizing radiation as recently, and considerable attention has been paid to polymeric composites as a radiation shielding material. This research will examine the radiation shielding performance of epoxy-based nano-WO3 reinforced composites, exploring the performance of epoxy-based nano-WO3 reinforced composites. The samples will be prepared using the direct pouring method to block radiation. The practice of radiation shielding protects against the detrimental effects of ionizing radiation.

Keywords: radiation shielding materials, ionizing radiation, epoxy resin, Tungsten oxide, polymer composites

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999 Platform Urbanism: Planning towards Hyper-Personalisation

Authors: Provides Ng

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Platform economy is a peer-to-peer model of distributing resources facilitated by community-based digital platforms. In recent years, digital platforms are rapidly reconfiguring the public realm using hyper-personalisation techniques. This paper aims at investigating how urban planning can leapfrog into the digital age to help relieve the rising tension of the global issue of labour flow; it discusses the means to transfer techniques of hyper-personalisation into urban planning for plasticity using platform technologies. This research first denotes the limitations of the current system of urban residency, where the system maintains itself on the circulation of documents, which are data on paper. Then, this paper tabulates how some of the institutions around the world, both public and private, digitise data, and streamline communications between a network of systems and citizens using platform technologies. Subsequently, this paper proposes ways in which hyper-personalisation can be utilised to form a digital planning platform. Finally, this paper concludes by reviewing how the proposed strategy may help to open up new ways of thinking about how we affiliate ourselves with cities.

Keywords: platform urbanism, hyper-personalisation, digital inventory, urban accessibility

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998 Analysis of Elastic-Plastic Deformation of Reinforced Concrete Shear-Wall Structures under Earthquake Excitations

Authors: Oleg Kabantsev, Karomatullo Umarov

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The engineering analysis of earthquake consequences demonstrates a significantly different level of damage to load-bearing systems of different types. Buildings with reinforced concrete columns and separate shear-walls receive the highest level of damage. Traditional methods for predicting damage under earthquake excitations do not provide an answer to the question about the reasons for the increased vulnerability of reinforced concrete frames with shear-walls bearing systems. Thus, the study of the problem of formation and accumulation of damages in the structures reinforced concrete frame with shear-walls requires the use of new methods of assessment of the stress-strain state, as well as new approaches to the calculation of the distribution of forces and stresses in the load-bearing system based on account of various mechanisms of elastic-plastic deformation of reinforced concrete columns and walls. The results of research into the processes of non-linear deformation of structures with a transition to destruction (collapse) will allow to substantiate the characteristics of limit states of various structures forming an earthquake-resistant load-bearing system. The research of elastic-plastic deformation processes of reinforced concrete structures of frames with shear-walls is carried out on the basis of experimentally established parameters of limit deformations of concrete and reinforcement under dynamic excitations. Limit values of deformations are defined for conditions under which local damages of the maximum permissible level are formed in constructions. The research is performed by numerical methods using ETABS software. The research results indicate that under earthquake excitations, plastic deformations of various levels are formed in various groups of elements of the frame with the shear-wall load-bearing system. During the main period of seismic effects in the shear-wall elements of the load-bearing system, there are insignificant volumes of plastic deformations, which are significantly lower than the permissible level. At the same time, plastic deformations are formed in the columns and do not exceed the permissible value. At the final stage of seismic excitations in shear-walls, the level of plastic deformations reaches values corresponding to the plasticity coefficient of concrete , which is less than the maximum permissible value. Such volume of plastic deformations leads to an increase in general deformations of the bearing system. With the specified parameters of the deformation of the shear-walls in concrete columns, plastic deformations exceeding the limiting values develop, which leads to the collapse of such columns. Based on the results presented in this study, it can be concluded that the application seismic-force-reduction factor, common for the all load-bearing system, does not correspond to the real conditions of formation and accumulation of damages in elements of the load-bearing system. Using a single coefficient of seismic-force-reduction factor leads to errors in predicting the seismic resistance of reinforced concrete load-bearing systems. In order to provide the required level of seismic resistance buildings with reinforced concrete columns and separate shear-walls, it is necessary to use values of the coefficient of seismic-force-reduction factor differentiated by types of structural groups.1

Keywords: reinforced concrete structures, earthquake excitation, plasticity coefficients, seismic-force-reduction factor, nonlinear dynamic analysis

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997 Polymerization of Epsilon-Caprolactone Using Lipase Enzyme for Medical Applications

Authors: Sukanya Devi Ramachandran, Vaishnavi Muralidharan, Kavya Chandrasekaran

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Polycaprolactone is polymer belonging to the polyester family that has noticeable characteristics of biodegradability and biocompatibility which is essential for medical applications. Polycaprolactone is produced by the ring opening polymerization of the monomer epsilon-Caprolactone (ε-CL) which is a closed ester, comprising of seven-membered ring. This process is normally catalysed by metallic components such as stannous octoate. It is difficult to remove the catalysts after the reaction, and they are also toxic to the human body. An alternate route of using enzymes as catalysts is being employed to reduce the toxicity. Lipase enzyme is a subclass of esterase that can easily attack the ester bonds of ε-CL. This research paper throws light on the extraction of lipase from germinating sunflower seeds and the activity of the biocatalyst in the polymerization of ε-CL. Germinating Sunflower seeds were crushed with fine sand in phosphate buffer of pH 6.5 into a fine paste which was centrifuged at 5000rpm for 10 minutes. The clear solution of the enzyme was tested for activity at various pH ranging from 5 to 7 and temperature ranging from 40oC to 70oC. The enzyme was active at pH6.0 and at 600C temperature. Polymerization of ε-CL was done using toluene as solvent with the catalysis of lipase enzyme, after which chloroform was added to terminate the reaction and was washed in cold methanol to obtain the polymer. The polymerization was done by varying the time from 72 hours to 6 days and tested for the molecular weight and the conversion of the monomer. The molecular weight obtained at 6 days is comparably higher. This method will be very effective, economical and eco-friendly to produce as the enzyme used can be regenerated as such at the end of the reaction and can be reused. The obtained polymers can be used for drug delivery and other medical applications.

Keywords: lipase, monomer, polycaprolactone, polymerization

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996 Characteristics of Wood Plastics Nano-Composites Made of Agricultural Residues and Urban Recycled Polymer Materials

Authors: Amir Nourbakhsh Habibabadi, Alireza Ashori

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Context: The growing concern over the management of plastic waste and the high demand for wood-based products have led to the development of wood-plastic composites. Agricultural residues, which are abundantly available, can be used as a source of lignocellulosic fibers in the production of these composites. The use of recycled polymers and nanomaterials is also a promising approach to enhance the mechanical and physical properties of the composites. Research Aim: The aim of this study was to investigate the feasibility of using recycled high-density polyethylene (rHDPE), polypropylene (rPP), and agricultural residues fibers for manufacturing wood-plastic nano-composites. The effects of these materials on the mechanical properties of the composites, specifically tensile and flexural strength, were studied. Methodology: The study utilized an experimental approach where extruders and hot presses were used to fabricate the composites. Five types of cellulosic residues fibers (bagasse, corn stalk, rice straw, sunflower, and canola stem), three levels of nanomaterials (carbon nanotubes, nano silica, and nanoclay), and coupling agent were used to chemically bind the wood/polymer fibers, chemicals, and reinforcement. The mechanical properties of the composites were then analyzed. Findings: The study found that composites made with rHDPE provided moderately superior tensile and flexural properties compared to rPP samples. The addition of agricultural residues in several types of wood-plastic nano-composites significantly improved their bending and tensile properties, with bagasse having the most significant advantage over other lignocellulosic materials. The use of recycled polymers, agricultural residues, and nano-silica resulted in composites with the best strength properties. Theoretical Importance: The study's findings suggest that using agricultural fiber residues as reinforcement in wood/plastic nanocomposites is a viable approach to improve the mechanical properties of the composites. Additionally, the study highlights the potential of using recycled polymers in the development of value-added products without compromising the product's properties. Data Collection and Analysis Procedures: The study collected data on the mechanical properties of the composites using tensile and flexural tests. Statistical analyses were performed to determine the significant effects of the various materials used. Question addressed: Can agricultural residues and recycled polymers be used to manufacture wood-plastic nano-composites with enhanced mechanical properties? Conclusion: The study demonstrates the feasibility of using agricultural residues and recycled polymers in the production of wood-plastic nano-composites. The addition of these materials significantly improved the mechanical properties of the composites, with bagasse being the most effective agricultural residue. The study's findings suggest that composites made from recycled materials can offer value-added products without sacrificing performance.

Keywords: polymer, composites, wood, nano

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995 Mechanical Properties and Microstructural Analyzes of Epoxy Resins Reinforced with Satin Tissue

Authors: Băilă Diana Irinel, Păcurar Răzvan, Păcurar Ancuța

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Although the volumes of fibre reinforced polymer composites (FRPs) used for aircraft applications is a relatively small percentage of total use, the materials often find their most sophisticated applications in this industry. In aerospace, the performance criteria placed upon materials can be far greater than in other areas – key aspects are light-weight, high-strength, high-stiffness, and good fatigue resistance. Composites were first used by the military before the technology was applied to commercial planes. Nowadays, composites are widely used, and this has been the result of a gradual direct substitution of metal components followed by the development of integrated composite designs as confidence in FRPs has increased. The airplane uses a range of components made from composites, including the fin and tailplane. In the last years, composite materials are increasingly used in automotive applications due to the improvement of material properties. In the aerospace and automotive sector, the fuel consumption is proportional to the weight of the body of the vehicle. A minimum of 20% of the cost can be saved if it used polymer composites in place of the metal structures and the operating and maintenance costs are alco very low. Glass fiber-epoxy composites are widely used in the making of aircraft and automobile body parts and are not only limited to these fields but also used in ship building, structural applications in civil engineering, pipes for the transport of liquids, electrical insulators in reactors. This article was establish the high-performance of composite material, a type glass-epoxy used in automotive and aeronautic domains, concerning the tensile and flexural tests and SEM analyzes.

Keywords: glass-epoxy composite, traction and flexion tests, SEM analysis, acoustic emission (AE) signals

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994 Microencapsulation of Phenobarbital by Ethyl Cellulose Matrix

Authors: S. Bouameur, S. Chirani

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The aim of this study was to evaluate the potential use of EthylCellulose in the preparation of microspheres as a Drug Delivery System for sustained release of phenobarbital. The microspheres were prepared by solvent evaporation technique using ethylcellulose as polymer matrix with a ratio 1:2, dichloromethane as solvent and Polyvinyl alcohol 1% as processing medium to solidify the microspheres. Size, shape, drug loading capacity and entrapement efficiency were studied.

Keywords: phenobarbital, microspheres, ethylcellulose, polyvinylacohol

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993 Development of 3D Printed, Conductive, Biodegradable Nerve Conduits for Neural Regeneration

Authors: Wei-Chia Huang, Jane Wang

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Damage to nerves is considered one of the most irreversible injuries. The regeneration of nerves has always been an important topic in regenerative medicine. In general, damage to human tissue will naturally repair overtime. However, when the nerves are damaged, healed flesh wound cannot guarantee full restoration to its original function, as truncated nerves are often irreversible. Therefore, the development of treatment methods to successfully guide and accelerate the regeneration of nerves has been highly sought after. In order to induce nerve tissue growth, nerve conduits are commonly used to help reconnect broken nerve bundles to provide protection to the location of the fracture while guiding the growth of the nerve bundles. To prevent the protected tissue from becoming necrotic and to ensure the growth rate, the conduits used are often modified with microstructures or blended with neuron growth factors that may facilitate nerve regeneration. Electrical stimulation is another attempted treatment for medical rehabilitation. With appropriate range of voltages and stimulation frequencies, it has been demonstrated to promote cell proliferation and migration. Biodegradability are critical for medical devices like nerve conduits, while conductive polymers pose great potential toward the differentiation and growth of nerve cells. In this work, biodegradability and conductivity were combined into a novel biodegradable, photocurable, conductive polymer composite materials by embedding conductive nanoparticles in poly(glycerol sebacate) acrylate (PGSA) and 3D-printed into nerve conduits. Rat pheochromocytoma cells and rat neuronal Schwann cells were chosen for the in vitro tests of the conduits and had demonstrate selective growth upon culture in the conductive conduits with built-in microchannels and electrical stimulation.

Keywords: biodegradable polymer, 3d printing, neural regeneration, electrical stimulation

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992 New Territories: Materiality and Craft from Natural Systems to Digital Experiments

Authors: Carla Aramouny

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Digital fabrication, between advancements in software and machinery, is pushing practice today towards more complexity in design, allowing for unparalleled explorations. It is giving designers the immediate capacity to apply their imagined objects into physical results. Yet at no time have questions of material knowledge become more relevant and crucial, as technological advancements approach a radical re-invention of the design process. As more and more designers look towards tactile crafts for material know-how, an interest in natural behaviors has also emerged trying to embed intelligence from nature into the designed objects. Concerned with enhancing their immediate environment, designers today are pushing the boundaries of design by bringing in natural systems, materiality, and advanced fabrication as essential processes to produce active designs. New Territories, a yearly architecture and design course on digital design and materiality, allows students to explore processes of digital fabrication in intersection with natural systems and hands-on experiments. This paper will highlight the importance of learning from nature and from physical materiality in a digital design process, and how the simultaneous move between the digital and physical realms has become an essential design method. It will detail the work done over the course of three years, on themes of natural systems, crafts, concrete plasticity, and active composite materials. The aim throughout the course is to explore the design of products and active systems, be it modular facades, intelligent cladding, or adaptable seating, by embedding current digital technologies with an understanding of natural systems and a physical know-how of material behavior. From this aim, three main themes of inquiry have emerged through the varied explorations across the three years, each one approaching materiality and digital technologies through a different lens. The first theme involves crossing the study of naturals systems as precedents for intelligent formal assemblies with traditional crafts methods. The students worked on designing performative facade systems, starting from the study of relevant natural systems and a specific craft, and then using parametric modeling to develop their modular facades. The second theme looks at the cross of craft and digital technologies through form-finding techniques and elastic material properties, bringing in flexible formwork into the digital fabrication process. Students explored concrete plasticity and behaviors with natural references, as they worked on the design of an exterior seating installation using lightweight concrete composites and complex casting methods. The third theme brings in bio-composite material properties with additive fabrication and environmental concerns to create performative cladding systems. Students experimented in concrete composites materials, biomaterials and clay 3D printing to produce different cladding and tiling prototypes that actively enhance their immediate environment. This paper thus will detail the work process done by the students under these three themes of inquiry, describing their material experimentation, digital and analog design methodologies, and their final results. It aims to shed light on the persisting importance of material knowledge as it intersects with advanced digital fabrication and the significance of learning from natural systems and biological properties to embed an active performance in today’s design process.

Keywords: digital fabrication, design and craft, materiality, natural systems

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991 Synthesis of Pyrimidine-Based Polymers Consist of 2-{4-[4,6-Bis-(4-Hexyl-Thiophen-2-yl)-Pyrimidin-2-yl]-Phenyl}-Thiazolo[5,4-B]Pyridine with Deep HOMO Level for Photovoltaics

Authors: Hyehyeon Lee, Jiwon Yu, Juwon Kim, Raquel Kristina Leoni Tumiar, Taewon Kim, Juae Kim, Hongsuk Suh

Abstract:

Photovoltaics, which have many advantages in cost, easy processing, and light-weight, have attracted attention. We synthesized pyrimidine-based conjugated polymers with 2-{4-[4,6-bis-(4-hexyl-thiophen-2-yl)-pyrimidin-2-yl]-phenyl}-thiazolo[5,4-b]pyridine (pPTP) which have an ability of powerful electron withdrawing and introduced into the PSCs. By Stille polymerization, we designed the conjugated polymers, pPTPBDT-12, pPTPBDT-EH, pPTPBDTT-EH and pPTPTTI. The HOMO energy levels of four polymers (pPTPBDT-12, pPTPBDT-EH, pPTPBDTT-EH and pPTPTTI) were at -5.61 ~ -5.89 eV, their LUMO (Lowest Unoccupied Molecular Orbital) energy levels were at -3.95 ~ -4.09 eV. The device including pPTPBDT-12 and PC71BM (1:2) indicated a V_oc of 0.67 V, a J_sc of 1.33 mA/cm², and a fill factor (FF) of 0.25, giving a power conversion efficiency (PCE) of 0.23%. The device including pPTPBDT-EH and PC71BM (1:2) indicated a V_oc of 0.72 V, a J_sc of 2.56 mA/cm², and a fill factor (FF) of 0.30, giving a power conversion efficiency of 0.56%. The device including pPTPBDTT-EH and PC71BM (1:2) indicated a V_oc of 0.72 V, a J_sc of 3.61 mA/cm², and a fill factor (FF) of 0.29, giving a power conversion efficiency of 0.74%. The device including pPTPTTI and PC71BM (1:2) indicated a V_oc of 0.83 V, a J_sc of 4.41 mA/cm², and a fill factor (FF) of 0.31, giving a power conversion efficiency of 1.13%. Therefore, pPTPBDT-12, pPTPBDT-EH, pPTPBDTT-EH, and pPTPTTI were synthesized by Stille polymerization. And We find one of the best efficiency for these polymers, called pPTPTTI. Their optical properties were measured and the results show that pyrimidine-based polymers especially like pPTPTTI have a great promise to act as the donor of the active layer.

Keywords: polymer solar cells, pyrimidine-based polymers, photovoltaics, conjugated polymer

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990 Service Life Study of Polymers Used in Renovation of Heritage Buildings and Other Structures

Authors: Parastou Kharazmi

Abstract:

Degradation of building materials particularly pipelines causes environmental damage during renovation or replacement and is a time consuming and costly process. Rehabilitation by polymer composites is a solution for renovation of degraded pipeline in heritage buildings and other structures which are less costly, faster and causes less damage to the environment; however, it is still not clear for how long these materials can perform as expected in the field and working condition. To study their service life, two types of composites based on Epoxy and Polyester resins have been evaluated by accelerated exposure and field exposure. The primary degradation agent used in accelerated exposure has been cycling temperature with half of the tests performed in presence of water. Thin films of materials used in accelerated testing were prepared in laboratory by using the same amount of material as well as technique of multi-layers application used in majority of the field installations. Extreme intensity levels of degradation agents have been used only to evaluate materials properties and as also mentioned in ISO 15686, are not directly correlated with degradation mechanisms that would be experienced in service. In the field exposure study, the focus has been to identify possible failure modes, causes, and effects. In field exposure, it has been observed that there are other degradation agents present which can be investigated further such as presence of contaminants and rust before application which prevents formation of a uniform layer of polymer or incompatibility between dissimilar materials. This part of the study also highlighted the importance of application’s quality of the materials in the field for providing the expected performance and service life. Results from extended accelerated exposure and field exposure can help in choosing inspection techniques, establishing the primary degradation agents and can be used for ageing exposure programs with clarifying relationship between different exposure periods and sites.

Keywords: building, renovation, service life, pipelines

Procedia PDF Downloads 184
989 A Multi-Templated Fe-Ni-Cu Ion Imprinted Polymer for the Selective and Simultaneous Removal of Toxic Metallic Ions from Wastewater

Authors: Morlu Stevens, Bareki Batlokwa

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The use of treated wastewater is widely employed to compensate for the scarcity of safe and uncontaminated freshwater. However, the existence of toxic heavy metal ions in the wastewater pose a health hazard to animals and the environment, hence, the importance for an effective technique to tackle the challenge. A multi-templated ion imprinted sorbent (Fe,Ni,Cu-IIP) for the simultaneous removal of heavy metal ions from waste water was synthesised employing molecular imprinting technology (MIT) via thermal free radical bulk polymerization technique. Methacrylic acid (MAA) was employed as the functional monomer, and ethylene glycol dimethylacrylate (EGDMA) as cross-linking agent, azobisisobutyronitrile (AIBN) as the initiator, Fe, Ni, Cu ions as template ions, and 1,10-phenanthroline as the complexing agent. The template ions were exhaustively washed off the synthesized polymer by solvent extraction in several washing steps, while periodically increasing solvent (HCl) concentration from 1.0 M to 10.0 M. The physical and chemical properties of the sorbents were investigated using Fourier Transform Infrared Spectroscopy (FT-IR), X-ray Diffraction (XRD) and Atomic Force Microscopy (AFM) were employed. Optimization of operational parameters such as time, pH and sorbent dosage to evaluate the effectiveness of sorbents were investigated and found to be 15 min, 7.5 and 666.7 mg/L respectively. Selectivity of ion-imprinted polymers and competitive sorption studies between the template and similar ions were carried out and showed good selectivity towards the targeted metal ion by removing 90% - 98% of the templated ions as compared to 58% - 62% of similar ions. The sorbents were further applied for the selective removal of Fe, Ni and Cu from real wastewater samples and recoveries of 92.14 ± 0.16% - 106.09 ± 0.17% and linearities of R2 = 0.9993 - R2 = 0.9997 were achieved.

Keywords: ion imprinting, ion imprinted polymers, heavy metals, wastewater

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988 Chitosan Doped Curcumin Gold Clusters Flexible Nanofiber for Wound Dressing and Anticancer Activities

Authors: Saravanan Govindaraju, Kyusik Yun

Abstract:

The purpose of this study is to develop the chitosan doped curcumin gold cluster nanofiber for wound healing and skin cancer drug delivery applications. Chitosan is a typical marine polysaccharide composed of glucosamine and n-acetyl glucosamine biodegradable and biocompatible polymer. Curcumin is a natural bioactive molecule obtained from Curcuma longo, it mostly occurs in some Asian countries like India and China. It has naturally antioxidant, antimicrobial, wound healing and anticancer property. Due to this advantage, we prepared a combination of natural polymer chitosan with Curcumin and gold nanocluster nanofiber (CH-CUR-AuNCs nanofibers). The prepared nanofiber was characterized by using Fourier transform infrared spectroscopy (FT-IR), and scanning electron microscopy (SEM). Antibacterial studies were performed with E.coli and S.aureus. Antioxidant assay, drug release test, and cytotoxicity will be evaluated. Prepared nanofiber emits low intensity of red fluorescent. The FTIR confirm the presence of chitosan and Curcumin in the nanofiber. In vitro study clearly shows the antibacterial activity against the gram negative and gram positive bacteria. Particularly, synthesised nanofibers provide better antibacterial activity against gram negative than gram positive. Cytotoxicity study also provides better killing rate in cancer cell, biocompatible with normal cell. Prepared CH-CUR-AuNCs nanofibers provide the better killing rate to bacterial strains and cancer cells. Finally, prepared nanofiber can be possible to use for wound healing dressing, patch for skin cancer and other biomedical applications.

Keywords: curcumin, chitosan, gold clusters, nanofibers

Procedia PDF Downloads 255
987 Analysis of the Detachment of Water Droplets from a Porous Fibrous Surface

Authors: Ibrahim Rassoul, E-K. Si Ahmed

Abstract:

The growth, deformation, and detachment of fluid droplets adherent to solid substrates is a problem of fundamental interest with numerous practical applications. Specific interest in this proposal is the problem of a droplet on a fibrous, hydrophobic substrate subjected to body or external forces (gravity, convection). The past decade has seen tremendous advances in proton exchange membrane fuel cell (PEMFC) technology. However, there remain many challenges to bring commercially viable stationary PEMFC products to the market. PEMFCs are increasingly emerging as a viable alternative clean power source for automobile and stationary applications. Before PEMFCs can be employed to power automobiles and homes, several key technical challenges must be properly addressed. One technical challenge is elucidating the mechanisms underlying water transport in and removal from PEMFCs. On the one hand, sufficient water is needed in the polymer electrolyte membrane or PEM to maintain sufficiently high proton conductivity. On the other hand, too much liquid water present in the cathode can cause 'flooding' (that is, pore space is filled with excessive liquid water) and hinder the transport of the oxygen reactant from the gas flow channel (GFC) to the three-phase reaction sites. The aim of this work is to investigate the stability of a liquid water droplet emerging form a GDL pore, to gain fundamental insight into the instability process leading to detachment. The approach will combine analytical and numerical modeling with experimental visualization and measurements.

Keywords: polymer electrolyte fuel cell, water droplet, gas diffusion layer, contact angle, surface tension

Procedia PDF Downloads 245
986 Solvent-Aided Dispersion of Tannic Acid to Enhance Flame Retardancy of Epoxy

Authors: Matthew Korey, Jeffrey Youngblood, John Howarter

Abstract:

Background and Significance: Tannic acid (TA) is a bio-based high molecular weight organic, aromatic molecule that has been found to increase thermal stability and flame retardancy of many polymer matrices when used as an additive. Although it is biologically sourced, TA is a pollutant in industrial wastewater streams, and there is a desire to find applications in which to downcycle this molecule after extraction from these streams. Additionally, epoxy thermosets have revolutionized many industries, but are too flammable to be used in many applications without additives which augment their flame retardancy (FR). Many flame retardants used in epoxy thermosets are synthesized from petroleum-based monomers leading to significant environmental impacts on the industrial scale. Many of these compounds also have significant impacts on human health. Various bio-based modifiers have been developed to improve the FR of the epoxy resin; however, increasing FR of the system without tradeoffs with other properties has proven challenging, especially for TA. Methodologies: In this work, TA was incorporated into the thermoset by use of solvent-exchange using methyl ethyl ketone, a co-solvent for TA, and epoxy resin. Samples were then characterized optically (UV-vis spectroscopy and optical microscopy), thermally (thermogravimetric analysis and differential scanning calorimetry), and for their flame retardancy (mass loss calorimetry). Major Findings: Compared to control samples, all samples were found to have increased thermal stability. Further, the addition of tannic acid to the polymer matrix by the use of solvent greatly increased the compatibility of the additive in epoxy thermosets. By using solvent-exchange, the highest loading level of TA found in literature was achieved in this work (40 wt%). Conclusions: The use of solvent-exchange shows promises for circumventing the limitations of TA in epoxy.

Keywords: sustainable, flame retardant, epoxy, tannic acid

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985 Role of Micro-Patterning on Stem Cell-Material Interaction Modulation and Cell Fate

Authors: Lay Poh Tan, Chor Yong Tay, Haiyang Yu

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Micro-contact printing is a form of soft lithography that uses the relief patterns on a master polydimethylsiloxane (PDMS) stamp to form patterns of self-assembled monolayers (SAMs) of ink on the surface of a substrate through conformal contact technique. Here, we adopt this method to print proteins of different dimensions on our biodegradable polymer substrates. We started off with printing 20-500 μm scale lanes of fibronectin to engineer the shape of bone marrow derived human mesenchymal stem cell (hMSCs). After 8 hours of culture, the hMSCs adopted elongated shapes, and upon analysis of the gene expressions, genes commonly associated with myogenesis (GATA-4, MyoD1, cTnT and β-MHC) and neurogenesis (NeuroD, Nestin, GFAP, and MAP2) were up-regulated but gene expression associated to osteogenesis (ALPL, RUNX2, and SPARC) were either down modulated or remained at the nominal level. This is the first evidence that cellular morphology control via micropatterning could be used to modulate stem cell fate without external biochemical stimuli. We further our studies to modulate the focal adhesion (FA) instead of the macro shape of cells. Micro-contact printed islands of different smaller dimensions were investigated. We successfully regulated the FAs into dense FAs and elongated FAs by micropatterning. Additionally, the combined effects of hard (40.4 kPa), and intermediate (10.6 kPa) PA gel and FAs patterning on hMSCs differentiation were studied. Results showed that FA and matrix compliance plays an important role in hMSCs differentiation, and there is a cross-talk between different physical stimulants and the significance of these stimuli can only be realized if they are combined at the optimum level.

Keywords: micro-contact printing, polymer substrate, cell-material interaction, stem cell differentiation

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984 Transdermal Medicated- Layered Extended-Release Patches for Co-delivery of Carbamazepine and Pyridoxine

Authors: Sarah K. Amer, Walaa Alaa

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Epilepsy is an important cause of mortality and morbidity, according to WHO statistics. It is characterized by the presence of frequent seizures occurring more than 24 hours apart. Carbamazepine (CBZ) is considered first-line treatment for epilepsy. However, reports have shown that CBZ oral formulations failed to achieve optimum systemic delivery, minimize side effects, and enhance patient compliance. Besides, the literature has signified the lack of therapeutically efficient CBZ transdermal formulation and the urge for its existence owing to its ease and convenient method of application and highlighted capability to attain higher bioavailability and more extended-release profiles compared to conventional oral CBZ tablets. This work aims to prepare CBZ microspheres (MS) that are embedded in a transdermal gel containing Vitamin B to be co-delivered. MS were prepared by emulsion-solvent diffusion method using Eudragit S as core forming polymer and hydroxypropyl methylcellulose (HPMC) polymer. The MS appeared to be spherical and porous in nature, offering a large surface area and high entrapment efficiency of CBZ. The transdermal gel was prepared by solvent-evaporation technique using HPMC that, offered high entrapment efficiency and Eudragit S that provided an extended-release profile. Polyethylene glycol, Span 80 and Pyridoxine were also added. Data indicated that combinations of CBZ with pyridoxine can reduce epileptic seizures without affecting motor coordination. Extended-release profiles were evident for this system. The patches were furthermore tested for thickness, moisture content, folding endurance, spreadability and viscosity measurements. This novel pharmaceutical formulation would be of great influence on seizure control, offering better therapeutic effects.

Keywords: epilepsy, carbamazepine, pyridoxine, transdermal

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983 Improving the Exploitation of Fluid in Elastomeric Polymeric Isolator

Authors: Haithem Elderrat, Huw Davies, Emmanuel Brousseau

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Elastomeric polymer foam has been used widely in the automotive industry, especially for isolating unwanted vibrations. Such material is able to absorb unwanted vibration due to its combination of elastic and viscous properties. However, the ‘creep effect’, poor stress distribution and susceptibility to high temperatures are the main disadvantages of such a system. In this study, improvements in the performance of elastomeric foam as a vibration isolator were investigated using the concept of Foam Filled Fluid (FFFluid). In FFFluid devices, the foam takes the form of capsule shapes, and is mixed with viscous fluid, while the mixture is contained in a closed vessel. When the FFFluid isolator is affected by vibrations, energy is absorbed, due to the elastic strain of the foam. As the foam is compressed, there is also movement of the fluid, which contributes to further energy absorption as the fluid shears. Also, and dependent on the design adopted, the packaging could also attenuate vibration through energy absorption via friction and/or elastic strain. The present study focuses on the advantages of the FFFluid concept over the dry polymeric foam in the role of vibration isolation. This comparative study between the performance of dry foam and the FFFluid was made according to experimental procedures. The paper concludes by evaluating the performance of the FFFluid isolator in the suspension system of a light vehicle. One outcome of this research is that the FFFluid may preferable over elastomer isolators in certain applications, as it enables a reduction in the effects of high temperatures and of ‘creep effects’, thereby increasing the reliability and load distribution. The stiffness coefficient of the system has increased about 60% by using an FFFluid sample. The technology represented by the FFFluid is therefore considered by this research suitable for application in the suspension system of a light vehicle.

Keywords: FFFluid, dry foam, anti-vibration devices, elastomeric polymer foam

Procedia PDF Downloads 332
982 Study of Structural Behavior and Proton Conductivity of Inorganic Gel Paste Electrolyte at Various Phosphorous to Silicon Ratio by Multiscale Modelling

Authors: P. Haldar, P. Ghosh, S. Ghoshdastidar, K. Kargupta

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In polymer electrolyte membrane fuel cells (PEMFC), the membrane electrode assembly (MEA) is consisting of two platinum coated carbon electrodes, sandwiched with one proton conducting phosphoric acid doped polymeric membrane. Due to low mechanical stability, flooding and fuel cell crossover, application of phosphoric acid in polymeric membrane is very critical. Phosphorous and silica based 3D inorganic gel gains the attention in the field of supercapacitors, fuel cells and metal hydrate batteries due to its thermally stable highly proton conductive behavior. Also as a large amount of water molecule and phosphoric acid can easily get trapped in Si-O-Si network cavities, it causes a prevention in the leaching out. In this study, we have performed molecular dynamics (MD) simulation and first principle calculations to understand the structural, electronics and electrochemical and morphological behavior of this inorganic gel at various P to Si ratios. We have used dipole-dipole interactions, H bonding, and van der Waals forces to study the main interactions between the molecules. A 'structure property-performance' mapping is initiated to determine optimum P to Si ratio for best proton conductivity. We have performed the MD simulations at various temperature to understand the temperature dependency on proton conductivity. The observed results will propose a model which fits well with experimental data and other literature values. We have also studied the mechanism behind proton conductivity. And finally we have proposed a structure for the gel paste with optimum P to Si ratio.

Keywords: first principle calculation, molecular dynamics simulation, phosphorous and silica based 3D inorganic gel, polymer electrolyte membrane fuel cells, proton conductivity

Procedia PDF Downloads 113