Search results for: super absorbing polymer
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2009

Search results for: super absorbing polymer

389 The Relevance of Bioinspired Architecture and Programmable Materials for Development of 4D Printing

Authors: Daniela Ribeiro, Silvia Lenyra Meirelles Campos Titotto

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Nature has long served as inspiration for humans, since various technologies present in society are a mirror of the natural world. This is due to the fact that nature has adapted for millions of years to possess the characteristics they have today. In this sense, man takes advantage of this situation and uses it to produce his own objects and solve his problems. This concept, which is known as biomimetics, is something relatively new, once it was only denominated in 1957. Nature, in turn, responds directly and consistently to environmental conditions. For example, plants that have touch sensitivity contract with this stimulus. Such a situation resembles a technology that has been gaining ground in the contemporary world of scientific innovation: 4D printing. 4D printing technology emerged in 2012 as a complement to 3D printing and presents numerous benefits since it provides a deficiency in the second kind of printing mentioned. This type of technology reaches several areas, since it is capable of producing materials that change over time, be it in its composition, form or properties and is such a characteristic that determines the additional dimension of the material. Precisely because of these factors, this type of impression resembles nature and is related to biomimetics. However, only certain types of ‘intelligent’ materials are generally employed in this type of impression, since only they will respond well to such stimuli, one of which is the hydrogel. The hydrogel is a biocompatible polymer that presents several applications, these in turn will be briefly mentioned in this article to exemplify its importance and the reason for choosing this material as object of study. In addition, aspects that configure 4D printing will be treated here, such as the importance of architecture, programming language and the reversibility of printed materials.

Keywords: 4D printing, biomimetic, hydrogel, materials

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388 Analysis of Solvent Effect on the Mechanical Properties of Poly(Ether Ether Ketone) Using Nano-Indentation

Authors: Tanveer Iqbal, Saima Yasin, Muhammad Zafar, Ahmad Shakeel, Fahad Nazir, Paul F. Luckham

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The contact performance of polymeric composites is dependent on the localized mechanical properties of materials. This is particularly important for fiber oriented polymeric materials where self-lubrication from top layers has been the basic requirement. The nanoindentation response of fiber reinforced poly(etheretherketone), PEEK, composites have been evaluated to determine the near-surface mechanical characteristics. Load-displacement compliance, hardness and elastic modulus data based on contact compliance mode (CSM) indentation of carbon fiber oriented and glass fiber oriented PEEK composites are reported as a function of indentation contact displacement. The composite surfaces were indented to a maximum penetration depth of 5µm using Berkovich tip indenter. A typical multiphase response of the composite surface is depicted from analysis of the indentation data for the composites, showing presence of polymer matrix, fibers, and interphase regions. The observed experimental results show that although the surface mechanical properties of carbon fiber based PEEK composite were comparatively higher, the properties of matrix material were seen to be increased in the presence of glass fibers. The experimental methodology may provide a convenient means to understand morphological description of the multimodal polymeric composites.

Keywords: nanoindentation, PEEK, modulus, hardness, plasticization

Procedia PDF Downloads 179
387 Efficient Depolymerization of Polyethylene terephthalate (PET) Using Bimetallic Catalysts

Authors: Akmuhammet Karayev, Hassam Mazhar, Mamdouh Al Harthi

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Polyethylene terephthalate (PET) recycling stands as a pivotal solution in combating plastic pollution and fostering a circular economy. This study addresses the catalytic glycolysis of PET, a key step in its recycling process, using synthesized catalysts. Our focus lies in elucidating the catalytic mechanism, optimizing reaction kinetics, and enhancing reactor design for efficient PET conversion. We synthesized anionic clays tailored for PET glycolysis and comprehensively characterized them using XRD, FT-IR, BET, DSC, and TGA techniques, confirming their suitability as catalysts. Through systematic parametric studies, we optimized reaction conditions to achieve complete PET conversion to bis hydroxy ethylene terephthalate (BHET) with over 75% yield within 2 hours at 200°C, employing a minimal catalyst concentration of 0.5%. These results underscore the catalysts' exceptional efficiency and sustainability, positioning them as frontrunners in catalyzing PET recycling processes. Furthermore, we demonstrated the recyclability of the obtained BHETs by repolymerizing them back to PET without the need for a catalyst. Heating the BHETs in a distillation unit facilitated their conversion back to PET, highlighting the closed-loop potential of our recycling approach. Our work embodies a significant leap in catalytic glycolysis kinetics, driven by sustainable catalysts, offering rapid and high-impact PET conversion while minimizing environmental footprint. This breakthrough not only sets new benchmarks for efficiency in PET recycling but also exemplifies the pivotal role of catalysis and reaction engineering in advancing sustainable materials management.

Keywords: polymer recycling, catalysis, circular economy, glycolysis

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386 Development and Characterization of a Film Based on Hydroxypropyl Methyl Cellulose Incorporated by a Phenolic Extract of Fennel and Reinforced by Magnesium Oxide: In Vivo - in Vitro

Authors: Mazouzi Nourdjihane, K. Boutemak, A. Haddad, Y. Chegreouche

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In the last decades, biodegradable polymers have been considered as one of the most popular options for the delivery of drugs and various conventional doses. The film forming system (FFS) can be used in topical, transdermal, ophthalmic, oral and gastric applications. Recently this system has focused on improving drug delivery, which can promote drug release. In this context, the aim of this study is to create polymeric film-forming systems for the stomach and to evaluate and test their gastroprotective effects, comparing the effects of changes in composition on film characteristics. It uses a plant-derived polyphenol extract extracted from fennel to demonstrate anti-inflammatory activity in the film. The films are made from hydroxypropyl methylcellulose polymer and different types of plastic, glycerol and polyethylene glycol. The ffs properties show that MgO-glycerol-reinforced hydroxypropylmethylcellulose (HPMC-MgO-Gly) is better than that based on MgO-PEG-reinforced hydroxypropylmethylcellulose (HPMC-MgO-PEG). It is durable, has a faster drying time and allows for maximum recovery. Water vapor strength and blowing speed and other additions show another advantage of HPMC-MgO-Gly compared to HPMC-MgO-PEG, indicating good adhesion between the support (top) and film production. In this study, the gastroprotective effect of fennel phenol extract was found, showing that this plant material has a gastroprotective effect on ulcers and that the film can absorb the active substance.

Keywords: film formin system, hydroxypropyl methylcellulose, magnesium oxide, in vivo

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385 Bacterial Cellulose: A New Generation Antimicrobial Wound Dressing Biomaterial

Authors: Bhavana V. Mohite, Satish V. Patil

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Bacterial cellulose (BC) is an alternative for plant cellulose (PC) that prevents global warming leads to preservation of nature. Although PC and BC have the same chemical structure, BC is superior with its properties like its size, purity, porosity, degree of polymerization, crystallinity and water holding capacity, thermal stability etc. On this background the present study focus production and applications of BC as antimicrobial wound dressing material. BC was produced by Gluconoacetobacter hansenii (strain NCIM 2529) under shaking condition and statistically enhanced upto 7.2 g/l from 3.0 g/l. BC was analyzed for its physico mechanical, structural and thermal characteristics. BC produced at shaking condition exhibits more suitable properties in support to its high performance applications. The potential of nano silver impregnated BC was determined for sustained release modern antimicrobial wound dressing material by swelling ratio, mechanical properties and antimicrobial activity against Staphylococcus aureus. BC in nanocomposite form with other synthetic polymer like PVA shows improvement in its properties such as swelling ratio (757% to 979%) and sustainable release of antibacterial agent. The high drug loading and release potential of BC was evidenced in support to its nature as antimicrobial wound dressing material. The nontoxic biocompatible nature of BC was confirmed by MTT assay on human epidermal cells with 90% cell viability that allows its application as a regenerative biomaterial. Thus, BC as a promising new generation antimicrobial wound dressing material was projected.

Keywords: agitated culture, biopolymer, gluconoacetobacter hansenii, nanocomposite

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384 Antibacterial Hydrogels for Wound Care

Authors: Saba Atefyekta

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Aim: Control of bacterial bioburden in wounds is an important step for minimizing the risk of wound infection. An antimicrobial hydrogel wound dressing is developed out of soft polymeric hydrogels that contain antimicrobial peptides (AMPs). Such wound dressings can bind and kill all types of bacteria, even the resistance types at the wound site. Methods: AMPs are permanently bonded onto a soft nanostructured polymer via covalent attachment and physical entanglement. This improves stability, rapid antibacterial activity, and, most importantly, prevents the leaching of AMPs. Major Findings: Antimicrobial analysis of antimicrobial hydrogels using in-vitro wound models confirmed >99% killing efficiency against multiple bacterial trains, including MRSA, MDR, E. Coli. Furthermore, the hydrogel retained its antibacterial activity for up to 4 days when exposed to human serum. Tests confirmed no release of AMPs, and it was proven non-toxic to mammalian cells. An in-vivo study on human intact skin showed a significant reduction of bacteria for part of the subject’s skin treated with antibacterial hydrogels. A similar result was detected through a qualitative study in veterinary trials on different types of surgery wounds in cats, dogs, and horses. Conclusions: Antimicrobial hydrogels wound dressings developed by permanent attachment of AMPs can effectively and rapidly kill bacteria in contact. Such antibacterial hydrogel wound dressings are non-toxic and do not release any substances into the wound.

Keywords: antibacterial wound dressing, antimicrobial peptides, post-surgical wounds, infection

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383 Transdermal Therapeutic System of Lercanıdipine Hydrochloride: Fabrication and in Vivo Evaluation

Authors: Jiji Jose, R. Narayanacharyulu, Molly Mathew, Jisha Prems

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Introduction: Lercanidipine hydrochloride (LD), an effective calcium channel blocker, widely used for the treatment of chronic stable angina and hypertension seems to be potential transdermal therapeutic system candidate, mainly due to its low oral bio availability, short half life and high first-pass metabolism. Objective: To develop transdermal therapeutic systems for LD and to evaluate its in vivo performance in rabbits. Methodology: Transdermal patches of LD were formulated using the polymer blend of eudragit RL100 (ERL) and polyvinyl pyrolidone (PVP) by casting method Propylene glycol (PG) and tween 80 were used as plasticizer and permeation enhancer respectively. The pharmaco kinetic parameters of LD after the administration of transdermal patches was compared with that of oral administration. The study was carried out in a two way crossover design in male New Zealand albino rabbits. Results: The formulation with ERL: PVP ratio 1:4 with 15% w/w PG as plasticizer and 4% w/w tween 80 as permeation enhancer showed the best drug release results. The pharmacokinetic parameters such as Cmax, tmax, mean residence time (MRT) and area under the curve (AUC 0-∞) were significantly different following transdermal administration compared to oral administration. The terminal half life of transdermally administered LD was found to similar that of oral administration. A sustained drug release over a period of 24 hrs was observed after transdermal administration. Conclusion: The fabricated transdermal delivery system have the potential to provide controlled and extended drug release, better bio availability and thus, this may improve the patient compliance.

Keywords: transdermal therapeutic system, lercanidipine hydrochloride, eudragit, skinpermeation

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382 Study of the Tribological Behavior of a Pin on Disc Type of Contact

Authors: S. Djebali, S. Larbi, A. Bilek

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The present work aims at contributing to the study of the complex phenomenon of wear of pin on disc contact in dry sliding friction between two material couples (bronze/steel and unsaturated polyester virgin and charged with graphite powder/steel). The work consists of the determination of the coefficient of friction, the study of the influence of the tribological parameters on this coefficient and the determination of the mass loss and the wear rate of the pin. This study is also widened to the highlighting of the influence of the addition of graphite powder on the tribological properties of the polymer constituting the pin. The experiments are carried out on a pin-disc type tribometer that we have designed and manufactured. Tests are conducted according to the standards DIN 50321 and DIN EN 50324. The discs are made of annealed XC48 steel and quenched and tempered XC48 steel. The main results are described here after. The increase of the normal load and the sliding speed causes the increase of the friction coefficient, whereas the increase of the percentage of graphite and the hardness of the disc surface contributes to its reduction. The mass loss also increases with the normal load. The influence of the normal load on the friction coefficient is more significant than that of the sliding speed. The effect of the sliding speed decreases for large speed values. The increase of the amount of graphite powder leads to a decrease of the coefficient of friction, the mass loss and the wear rate. The addition of graphite to the UP resin is beneficial; it plays the role of solid lubricant.

Keywords: bronze, friction coefficient, graphite, mass loss, polyester, steel, wear rate

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381 Synthesis and Characterization of Lactic Acid Grafted TiO2 Nanocomposites

Authors: Qasar Saleem

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The aim of this project was to synthesize and analyze Polylactic acid-grafted TiO2 nanocomposite. When dispersed at the nanoscale TiO2 can behave as see through transparent UV filters and thermomechanical materials. The synthesis plan involved three stages. First, dispersion of TiO2 white powder in water/ethanol solvent system. Second grafting TiO2 surface by oligomers of lactic acid aimed at changing its surface features. Third polymerization of lactic acid monomer with grafted TiO2 in the presence of anhydrous stannous chloride as a catalyst. Polylactic acid grafted-TiO2 nanocomposite was synthesized by melt polycondensation in situ of lactic acid onto titanium oxide (TiO2) nanoparticles surface. The product was characterized by TGA, DSC, FTIR, and UV analysis and degradation observation. An idea regarding bonds between the grafting polymer and surface modified titanium oxide nanoparticles. Characteristics peaks of Ti–carbonyl bond, the related intensities of the Fourier transmission absorption peaks of graft composite, the melt and decomposition behavior stages of Polylactic acid-grafted TiO2 nanocomposite convinced that oligomers of polylactic acid were chemically bonded on the surface of TiO2 nanoparticles. Through grafting polylactic acid, the Polylactic acid grafted -TiO2 sample shown good absorption in UV region and degradation behavior under normal atmospheric conditions. Regaining transparency of degraded white opaque Polylactic acid-grafted TiO2 nanocomposite on heating was another character. Polylactic acid-grafted TiO2 nanocomposite will be a potential candidate in future for biomedical, UV shielding and environment friendly material.

Keywords: condensation, nanocomposites, oligomers, polylactic

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380 Optimization of Fused Deposition Modeling 3D Printing Process via Preprocess Calibration Routine Using Low-Cost Thermal Sensing

Authors: Raz Flieshman, Adam Michael Altenbuchner, Jörg Krüger

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This paper presents an approach to optimizing the Fused Deposition Modeling (FDM) 3D printing process through a preprocess calibration routine of printing parameters. The core of this method involves the use of a low-cost thermal sensor capable of measuring tempera-tures within the range of -20 to 500 degrees Celsius for detailed process observation. The calibration process is conducted by printing a predetermined path while varying the process parameters through machine instructions (g-code). This enables the extraction of critical thermal, dimensional, and surface properties along the printed path. The calibration routine utilizes computer vision models to extract features and metrics from the thermal images, in-cluding temperature distribution, layer adhesion quality, surface roughness, and dimension-al accuracy and consistency. These extracted properties are then analyzed to optimize the process parameters to achieve the desired qualities of the printed material. A significant benefit of this calibration method is its potential to create printing parameter profiles for new polymer and composite materials, thereby enhancing the versatility and application range of FDM 3D printing. The proposed method demonstrates significant potential in enhancing the precision and reliability of FDM 3D printing, making it a valuable contribution to the field of additive manufacturing.

Keywords: FDM 3D printing, preprocess calibration, thermal sensor, process optimization, additive manufacturing, computer vision, material profiles

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379 RF Plasma Discharge Equipment for Conservation Treatments of Paper Supports

Authors: Emil Ghiocel Ioanid, Viorica Frunză, Dorina Rusu, Ana Maria Vlad, Catalin Tanase, Simona Dunca

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The application of cold radio-frequency (RF) plasma in the conservation of cultural heritage became important in the last decades due to the positive results obtained in decontamination treatments. This paper presents an equipment especially designed for RF cold plasma application on paper documents, developed within a research project. The equipment allows the application of decontamination and cleaning treatments on any type of paper support, as well as the coating with a protective polymer. The equipment consists in a Pyrex vessel, inside which are placed two plane-parallel electrodes, capacitively coupled to a radio-frequency generator. The operating parameters of the equipment are: 1.2 MHz frequency, 50V/cm electric field intensity, current intensity in the discharge 100 mA, 40 W power in the discharge, the pressure varying from 5∙10-1 mbar to 5.5∙10-1 mbar, depending on the fragility of the material, operating in gaseous nitrogen. In order to optimize the equipment treatments in nitrogen plasma have been performed on samples infested with microorganisms, then the decontamination and the changes in surface properties (color, pH) were assessed. The analyses results presented in the table revealed only minor modifications of surface pH the colorimetric analysis showing a slight change to yellow. The equipment offers the possibility of performing decontamination, cleaning and protective coating of paper-based documents in successive stages, thus avoiding the recontamination with harmful biological agents.

Keywords: nitrogen plasma, cultural heritage, paper support, radio-frequency

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378 Environmental Effects on Coconut Coir Fiber Epoxy Composites Having TiO₂ as Filler

Authors: Srikanth Korla, Mahesh Sharnangat

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Composite materials are being widely used in Aerospace, Naval, Defence and other branches of engineering applications. Studies on natural fibers is another emerging research area as they are available in abundance, and also due to their eco-friendly in nature. India being one of the major producer of coir, there is always a scope to study the possibilities of exploring coir as reinforment, and with different combinations of other elements of the composite. In present investigation effort is made to utilize properties possessed by natural fiber and make them enable with polymer/epoxy resin. In natural fiber coconut coir is used as reinforcement fiber in epoxy resin with varying weight percentages of fiber and filler material. Titanium dioxide powder (TiO2) is used as filler material with varying weight percentage including 0%, 2% and 4% are considered for experimentation. Environmental effects on the performance of the composite plate are also studied and presented in this project work; Moisture absorption test for composite specimens is conducted using different solvents including Kerosene, Mineral Water and Saline Water, and its absorption capacity is evaluated. Analysis is carried out in different combinations of Coir as fiber and TiO2 as filler material, and the best suitable composite material considering the strength and environmental effects is identified in this work. Therefore, the significant combination of the composite material is with following composition: 2% TiO2 powder 15% of coir fibre and 83% epoxy, under unique mechanical and environmental conditions considered in the work.

Keywords: composite materials, moisture test, filler material, natural fibre composites

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377 Harnessing Nature's Fury: Hyptis Suaveolens Loaded Bioactive Liposome for Photothermal Therapy of Lung Cancer

Authors: Sajmina Khatun, Monika Pebam, Aravind Kumar Rengan

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Photothermal therapy, a subset of nanomedicine, takes advantage of light-absorbing agents to generate localized heat, selectively eradicating cancer cells. This innovative approach minimizes damage to healthy tissues and offers a promising avenue for targeted cancer treatment. Unlike conventional therapies, photothermal therapy harnesses the power of light to combat malignancies precisely and effectively, showcasing its potential to revolutionize cancer treatment paradigms. The combined strengths of nanomedicine and photothermal therapy signify a transformative shift toward more effective, targeted, and tolerable cancer treatments in the medical landscape. Utilizing natural products becomes instrumental in formulating diverse bioactive medications owing to their various pharmacological properties attributed to the existence of phenolic structures, triterpenoids, and similar compounds. Hyptis suaveolens, commonly known as pignut, stands as an aromatic herb within the Lamiaceae family and represents a valuable therapeutic plant. Flourishing in swamps and alongside tropical and subtropical roadsides, these noxious weeds impede the development of adjacent plants. Hyptis suaveolens ranks among the most globally distributed alien invasive species. The present investigation revealed that a versatile, biodegradable liposome nanosystem (HIL NPs), incorporating bioactive molecules from Hyptis suaveolens, exhibits effective bioavailability to cancer cells, enabling tumor ablation upon near-infrared (NIR) laser exposure. The components within the nanosystem, specifically the bioactive molecules from Hyptis, function as anticancer agents, aiding in the photothermal ablation of highly metastatic lung cancer cells. Despite being a prolific weed impeding neighboring plant growth, Hyptis suaveolens showcases therapeutic benefits through its bioactive compounds. The obtained HIL NPs, characterized as a photothermally active liposome nanosystem, demonstrate a pronounced fluorescence absorption peak in the NIR range and achieve a high photothermal conversion efficiency under NIR laser irradiation. Transmission electron microscopy (TEM) and particle size analysis reveal that HIL NPs possess a spherical shape with a size of 141 ± 30 nm. Moreover, in vitro assessments of HIL NPs against lung cancer cell lines (A549) indicate effective anticancer activity through a combined cytotoxic effect and hyperthermia. Tumor ablation is facilitated by apoptosis induced by the overexpression of ɣ-H2AX, arresting cancer cell proliferation. Consequently, the multifunctional and biodegradable nanosystem (HIL NPs), incorporating bioactive compounds from Hyptis, provides valuable perspectives for developing an innovative therapeutic strategy originating from a challenging weed. This approach holds promise for potential applications in both bioimaging and the combined use of phyto-photothermal therapy for cancer treatment.

Keywords: bioactive liposome, hyptis suaveolens, photothermal therapy, lung cancer

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376 Reactive Oxygen Species-Mediated Photoaging Pathways of Ultrafine Plastic Particles under UV Irradiation

Authors: Jiajun Duan, Yang Li, Jianan Gao, Runzi Cao, Enxiang Shang, Wen Zhang

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Reactive oxygen species (ROS) generation is considered as an important photoaging mechanism of microplastics (MPs) and nanoplastics (NPs). To elucidate the ROS-induced MP/NP aging processes in water under UV365 irradiation, we examined the effects of surface coatings, polymer types, and grain sizes on ROS generation and photoaging intermediates. Bare polystyrene (PS) NPs generated hydroxyl radicals (•OH) and singlet oxygen (¹O₂), while coated PS NPs (carboxyl-modified PS (PS-COOH), amino-modified PS (PS-NH₂)) and PS MPs generated fewer ROS due to coating scavenging or size effects. Polypropylene, polyethylene, polyvinyl chloride, polyethylene terephthalate, and polycarbonate MPs only generated •OH. For aromatic polymers, •OH addition preferentially occurred at benzene rings to form monohydroxy polymers. Excess •OH resulted in H abstraction, C-C scission, and phenyl ring opening to generate aliphatic ketones, esters, aldehydes, and aromatic ketones. For coated PS NPs, •OH preferentially attacked the surface coatings to result in decarboxylation and deamination reactions. For aliphatic polymers, •OH attack resulted in the formation of carbonyl groups from peracid, aldehyde, or ketone via H abstraction and C-C scission. Moreover, ¹O₂ might participate in phenyl ring opening for PS NPs and coating degradation for coated PS NPs. This study facilitates understanding the ROS-induced weathering process of NPs/MPs in water under UV irradiation.

Keywords: microplastics, nanoplastics, photoaging, reactive oxygen species, surface coating

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375 Stress Corrosion Crackings Test of Candidate Materials in Support of the Development of the European Small Modular Supercritical Water Cooled Rector Concept

Authors: Radek Novotny, Michal Novak, Daniela Marusakova, Monika Sipova, Hugo Fuentes, Peter Borst

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This research has been conducted within the European HORIZON 2020 project ECC-SMART. The main objective is to assess whether it is feasible to design and develop a small modular reactor (SMR) that would be cooled by supercritical water (SCW). One of the main objectives for material research concerns the corrosion of the candidate cladding materials. The experimental part has been conducted in support of the qualification procedure of the future SCW-SMR constructional materials. The last objective was to identify the gaps in current norms and guidelines. Apart from corrosion, resistance testing of candidate materials stresses corrosion cracking susceptibility tests have been performed in supercritical water. This paper describes part of these tests, in particular, those slow strain rate tensile loading applied for tangential ring shape specimens of two candidate materials, Alloy 800H and 310S stainless steel. These ring tensile tests are one the methods used for tensile testing of nuclear cladding. Here full circular heads with dimensions roughly equal to the inner diameter of the sample and the gage sections are placed in the parallel direction to the applied load. Slow strain rate tensile tests have been conducted in 380 or 500oC supercritical water applying two different elongation rates, 1x10-6 and 1x10-7 s-1. The effect of temperature and dissolved oxygen content on the SCC susceptibility of Alloy 800H and 310S stainless steel was investigated when two different temperatures and concentrations of dissolved oxygen were applied in supercritical water. The post-fracture analysis includes fractographic analysis of the fracture surfaces using SEM as well as cross-sectional analysis on the occurrence of secondary cracks. Assessment of the effect of environment and dissolved oxygen content was by comparing to the results of the reference tests performed in air and N2 gas overpressure. The effect of high temperature on creep and its role in the initiation of SCC was assessed as well. It has been concluded that the applied test method could be very useful for the investigation of stress corrosion cracking susceptibility of candidate cladding materials in supercritical water.

Keywords: stress corrosion cracking, ring tensile tests, super-critical water, alloy 800H, 310S stainless steel

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374 Molecular Dynamics Simulation for Vibration Analysis at Nanocomposite Plates

Authors: Babak Safaei, A. M. Fattahi

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Polymer/carbon nanotube nanocomposites have a wide range of promising applications Due to their enhanced properties. In this work, free vibration analysis of single-walled carbon nanotube-reinforced composite plates is conducted in which carbon nanotubes are embedded in an amorphous polyethylene. The rule of mixture based on various types of plate model namely classical plate theory (CLPT), first-order shear deformation theory (FSDT), and higher-order shear deformation theory (HSDT) was employed to obtain fundamental frequencies of the nanocomposite plates. Generalized differential quadrature (GDQ) method was used to discretize the governing differential equations along with the simply supported and clamped boundary conditions. The material properties of the nanocomposite plates were evaluated using molecular dynamic (MD) simulation corresponding to both short-(10,10) SWCNT and long-(10,10) SWCNT composites. Then the results obtained directly from MD simulations were fitted with those calculated by the rule of mixture to extract appropriate values of carbon nanotube efficiency parameters accounting for the scale-dependent material properties. The selected numerical results are presented to address the influences of nanotube volume fraction and edge supports on the value of fundamental frequency of carbon nanotube-reinforced composite plates corresponding to both long- and short-nanotube composites.

Keywords: nanocomposites, molecular dynamics simulation, free vibration, generalized, differential quadrature (GDQ) method

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373 Control of Airborne Aromatic Hydrocarbons over TiO2-Carbon Nanotube Composites

Authors: Joon Y. Lee, Seung H. Shin, Ho H. Chun, Wan K. Jo

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Poly vinyl acetate (PVA)-based titania (TiO2)–carbon nanotube composite nanofibers (PVA-TCCNs) with various PVA-to-solvent ratios and PVA-based TiO2 composite nanofibers (PVA-TN) were synthesized using an electrospinning process, followed by thermal treatment. The photocatalytic activities of these nanofibers in the degradation of airborne monocyclic aromatics under visible-light irradiation were examined. This study focuses on the application of these photocatalysts to the degradation of the target compounds at sub-part-per-million indoor air concentrations. The characteristics of the photocatalysts were examined using scanning electron microscopy, X-ray diffraction, ultraviolet-visible spectroscopy, and Fourier-transform infrared spectroscopy. For all the target compounds, the PVA-TCCNs showed photocatalytic degradation efficiencies superior to those of the reference PVA-TN. Specifically, the average photocatalytic degradation efficiencies for benzene, toluene, ethyl benzene, and o-xylene (BTEX) obtained using the PVA-TCCNs with a PVA-to-solvent ratio of 0.3 (PVA-TCCN-0.3) were 11%, 59%, 89%, and 92%, respectively, whereas those observed using PVA-TNs were 5%, 9%, 28%, and 32%, respectively. PVA-TCCN-0.3 displayed the highest photocatalytic degradation efficiency for BTEX, suggesting the presence of an optimal PVA-to-solvent ratio for the synthesis of PVA-TCCNs. The average photocatalytic efficiencies for BTEX decreased from 11% to 4%, 59% to 18%, 89% to 37%, and 92% to 53%, respectively, when the flow rate was increased from 1.0 to 4.0 L min1. In addition, the average photocatalytic efficiencies for BTEX increased 11% to ~0%, 59% to 3%, 89% to 7%, and 92% to 13% , respectively, when the input concentration increased from 0.1 to 1.0 ppm. The prepared PVA-TCCNs were effective for the purification of airborne aromatics at indoor concentration levels, particularly when the operating conditions were optimized.

Keywords: mixing ratio, nanofiber, polymer, reference photocatalyst

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372 Sustainable Management of Water and Soil Resources for Agriculture in Dry Areas

Authors: Alireza Nejadmohammad Namaghi

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Investigators have reported that mulches increase production potential in arid and semi arid lands. Mulches are covering materials that are used on soil surface for efficiency irrigation, erosion control, weed control, evaporation decrease and improvement of water perpetration. Our aim and local situation determine the kind of material that we can use. In this research we used different mulches including chemical mulch (M1), Aquasorb polymer, manure mulch (M2), Residue mulch (M3) and polyethylene mulch (M4), with control treatment (M0), without usage of mulch, on germination, biomass dry matter and cottonseed yield (Varamin variety) in Kashan area. Randomized complete block (RCB) design have measured the cotton yield with 3 replications for measuring the biomass dry matter and 4 replication in tow irrigation periods as 7 and 14 days. Germination percentage for M0, M1, M2, M3 and M4 treatment were receptivity 64, 65, 76, 57 and 72% Biomass dry matter average for M0, M1, M2, M3 and M4 treatment were receptivity 276, 306, 426, 403 and 476 gram per plot. M4 treatment (polyethylene Mulch) had the most effect, M2 and M3 had no significant as well as M0 and M1. Total yield average with respect to 7 days irrigation for M0, M1, M2, M3 and M4 treatment were receptivity 700, 725, 857, 1057 and 1273 gram per plot. Dunken ne multiple showed no significant different among M0, M1, M2, and M3, but M4 ahs the most effect on yield. Total yield average with respect to 14 days irrigation for M0, M1, M2, M3 and M4 treatment were receptivity 535, 507, 690, 957 and 1047 gram per plot. These were significant difference between all treatments and control treatment. Results showed that used different mulches with water decrease in dry situation can increase the yield significantly.

Keywords: mulch, cotton, arid land management, irrigation systems

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371 Biodegradable Polymer Film Incorporated with Polyphenols for Active Packaging

Authors: Shubham Sharma, Swarna Jaiswal, Brendan Duffy, Amit Jaiswal

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The key features of any active packaging film are its biodegradability and antimicrobial properties. Biological macromolecules such as polyphenols (ferulic acid (FA) and tannic acids (TA)) are naturally found in plants such as grapes, berries, and tea. In this study, antimicrobial activity screening of several polyphenols was carried out by using minimal inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) against two strains of gram-negative bacteria - Salmonella typhimurium, Escherichia coli, and two-gram positive strains - Staphylococcus aureus and Listeria monocytogenes. FA and TA had shown strong antibacterial activity at the low concentration against both gram-positive and gram-negative bacteria. The selected polyphenols FA and TA were incorporated at various concentrations (1%, 5%, and 10% w/w) in the poly(lactide) – poly (butylene adipate-co-terephthalate) (PLA-PBAT) composite film by using the solvent casting method. The effect of TA and FA incorporation in the packaging was characterized based on morphological, optical, color, mechanical, thermal, and antimicrobial properties. The thickness of the FA composite film was increased by 1.5 – 7.2%, while for TA composite film, it increased by 0.018 – 1.6%. FA and TA (10 wt%) composite film had shown approximately 65% - 66% increase in the UV barrier property. As the FA and TA concentration increases from 1% - 10% (w/w), the TS value increases by 1.98 and 1.80 times, respectively. The water contact angle of the film was observed to decrease significantly with the increase in the FA and TA content in the composite film. FA has shown more significant increase in antimicrobial activity than TA in the composite film against Listeria monocytogenes and E. coli. The FA and TA composite film has the potential for its application as an active food packaging.

Keywords: active packaging, biodegradable film, polyphenols, UV barrier, tensile strength

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370 Structural and Modal Analyses of an s1223 High-Lift Airfoil Wing for Drone Design

Authors: Johnson Okoduwa Imumbhon, Mohammad Didarul Alam, Yiding Cao

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Structural analyses are commonly employed to test the integrity of aircraft component systems in the design stage to demonstrate the capability of the structural components to withstand what it was designed for, as well as to predict potential failure of the components. The analyses are also essential for weight minimization and selecting the most resilient materials that will provide optimal outcomes. This research focuses on testing the structural nature of a high-lift low Reynolds number airfoil profile design, the Selig S1223, under certain loading conditions for a drone model application. The wing (ribs, spars, and skin) of the drone model was made of carbon fiber-reinforced polymer and designed in SolidWorks, while the finite element analysis was carried out in ANSYS mechanical in conjunction with the lift and drag forces that were derived from the aerodynamic airfoil analysis. Additionally, modal analysis was performed to calculate the natural frequencies and the mode shapes of the wing structure. The structural strain and stress determined the minimal deformations under the wing loading conditions, and the modal analysis showed the prominent modes that were excited by the given forces. The research findings from the structural analysis of the S1223 high-lift airfoil indicated that it is applicable for use in an unmanned aerial vehicle as well as a novel reciprocating-airfoil-driven vertical take-off and landing (VTOL) drone model.

Keywords: CFRP, finite element analysis, high-lift, S1223, strain, stress, VTOL

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369 Slow and Controlled Release Fertilizer Technology via Application of Plant-available Inorganic Coatings

Authors: Eugene Rybin

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Reduction of nutrient losses when using mineral fertilizers is a very important and urgent challenge, which is of both economic and environmental significance. This paper shows the production of slow- and controlled release fertilizers through application of inorganic coatings, which make the released nutrients plant-available. The method of production of coated fertilizers with inorganic cover material is an alternative to other methods where polymer coatings are used. The method is based on spraying an aqueous slurry onto the surface of granules with simultaneous drying in drums under certain conditions and subsequent cooling of granules. This method of production of slow- and controlled-release fertilizers is more ecofriendly compared with others because inorganic materials are used to create a membrane. That is why the coating material is definitely biodegradable. There is also shown the effect of these coatings on the properties of fertilizers, as well as on the agrochemical efficiency and nutrient efficiency/ availability to the plants. The agrochemical tests have proved the increase of nutrient efficiency for every nutrient in compound fertilizers (NPK, NPS) for 3 consecutive years by 10-20 % and by 25-28% for urea, as well as an increase in crop yield, by 10-15% in general, and its quality. Moreover, the decrease in caking by almost 70% was proven as well as slowing down the release rate of nutrients from fertilizers. Control of the release rate was achieved by regulation of thickness and contents of coating materials. All of those characteristics were researched according to the standard-used methods. The performed research has developed the fertilizer technology of slow- and controlled release of nutrients through applying of plant-available inorganic coatings. It leads to a better synchronization of nutrient release rate and plants needs, as well as reduces the harmful effects on the environment from the fertilizers applied.

Keywords: controlled release, fertilizers, nutrients, plant-available coatings

Procedia PDF Downloads 86
368 The Ideal for Building Reservior Under the Ground in Mekong Delta in Vietnam

Authors: Huu Hue Van

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The Mekong Delta is the region in southwestern Vietnam where the Mekong River approaches and flow into the sea through a network of distributaries. The Climate Change Research Institute at University of Can Tho, in studying the possible consequences of climate change, has predicted that, many provinces in the Mekong Delta will be flooded by the year 2030. The Mekong Delta lacks fresh water in the dry season. Being served for daily life, industry and agriculture in the dry season, the water is mainly taken from layers of soil contained water under the ground (aquifers) depleted water; the water level in aquifers have decreased. Previously, the Mekong Delta can withstand two bad scenarios in the future: 1) The Mekong Delta will be submerged into the sea again: Due to subsidence of the ground (over-exploitation of groundwater), subsidence of constructions because of the low groundwater level (10 years ago, some of constructions were built on the foundation of Melaleuca poles planted in Mekong Delta, Melaleuca poles have to stay in saturated soil layer fully, if not, they decay easyly; due to the top of Melaleuca poles are higher than the groundwater level, the top of Melaleuca poles will decay and cause subsidence); erosion the river banks (because of the hydroelectric dams in the upstream of the Mekong River is blocking the flow, reducing the concentration of suspended substances in the flow caused erosion the river banks) and the delta will be flooded because of sea level rise (climate change). 2) The Mekong Delta will be deserted: People will migrate to other places to make a living because of no planting due to alum capillary (In Mekong Delta, there is a layer of alum soil under the ground, the elevation of groundwater level is lower than the the elevation of layer of alum soil, alum will be capillary to the arable soil layer); there is no fresh water for cultivation and daily life (because of saline intrusion and groundwater depletion in the aquifers below). Mekong Delta currently has about seven aquifers below with a total depth about 500 m. The water mainly has exploited in the middle - upper Pleistocene aquifer (qp2-3). The major cause of two bad scenarios in the future is over-exploitation of water in aquifers. Therefore, studying and building water reservoirs in seven aquifers will solve many pressing problems such as preventing subsidence, providing water for the whole delta, especially in coastal provinces, favorable to nature, saving land ( if we build the water lake on the surface of the delta, we will need a lot of land), pollution limitation (because when building some hydraulic structures for preventing the salt instrutions and for storing water in the lake on the surface, we cause polluted in the lake)..., It is necessary to build a reservoir under the ground in aquifers in the Mekong Delta. The super-sized reservoir will contribute to the existence and development of the Mekong Delta.

Keywords: aquifers, aquifers storage, groundwater, land subsidence, underground reservoir

Procedia PDF Downloads 75
367 Investigation of Mechanical Properties and Positron Annihilation Lifetime Spectroscopy of Acrylonitrile Butadiene Styrene/Polycarbonate Blends

Authors: Ayman M. M. Abdelhaleem, Mustafa Gamal Sadek, Kamal Reyad, Montasser M. Dewidar

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The main objective of this research is to study the effect of adding polycarbonate (PC) to pure Acrylonitrile Butadiene Styrene (ABS) using the injection moulding process. The PC was mixed mechanically with ABS in 10%, 20%, 30%, 40%, and 50% by weight. The mechanical properties of pure ABS reinforced with PC were investigated using tensile, impact, hardness, and wear tests. The results showed that, by adding 10%, 20%, 30%, 40%, and 50% wt. of PC to the pure ABS, the ultimate tensile strength increased from 55 N/mm2 for neat ABS to 57 N/mm2 (i.e. 3.63%), 60 N/mm2 (i.e. 9.09%), 63 N/mm2 (i.e. 14.54%), 66 N/mm2 (i.e. 20%), 69 N/mm2 (i.e. 25.45%) respectively. Test results also revealed nearly 5.72% improvement in young's modulus by adding 10% of PC to ABS, 16.74% improvement by adding 20%, 23.34% improvement by adding 30%, 27.75% improvement by adding 40%, and no other increase in case of 50%. The impact test results showed that with the increase of the PC content, first, the impact strength decreased and then increased gradually. The impact strength decreased rapidly when the content of PC was 0% to 10% range. As well as, in the case of 20%, 30%, 40%, and 50% PC, the impact strength is increased. The hardness test results, using the Shore D tester, showed that, as the PC particles contents increased, the hardness increased from 76 for the ABS to 80 for 10% PC, and decreased to 79 for 20% PC, and then increased to 80 in case of 30%, 40%, and 50% PC. Wear test results showed that PC improves the wear resistance of ABS/PC blends. Positron annihilation lifetime spectroscopy showed that with an increase of PC in ABS/PC blends, a slight decrease in free volume size and an increase in the tensile strength due to good adhesion between PC and ABS matrix, which acted as an advantage in the polymer matrix.

Keywords: ABS, PC, injection molding process, mechanical properties, lifetime spectroscopy

Procedia PDF Downloads 63
366 Optimization of Gastro-Retentive Matrix Formulation and Its Gamma Scintigraphic Evaluation

Authors: Swapnila V. Shinde, Hemant P. Joshi, Sumit R. Dhas, Dhananjaysingh B. Rajput

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The objective of the present study is to develop hydro-dynamically balanced system for atenolol, β-blocker as a single unit floating tablet. Atenolol shows pH dependent solubility resulting into a bioavailability of 36%. Thus, site specific oral controlled release floating drug delivery system was developed. Formulation includes novice use of rate controlling polymer such as locust bean gum (LBG) in combination of HPMC K4M and gas generating agent sodium bicarbonate. Tablet was prepared by direct compression method and evaluated for physico-mechanical properties. The statistical method was utilized to optimize the effect of independent variables, namely amount of HPMC K4M, LBG and three dependent responses such as cumulative drug release, floating lag time, floating time. Graphical and mathematical analysis of the results allowed the identification and quantification of the formulation variables influencing the selected responses. To study the gastrointestinal transit of the optimized gastro-retentive formulation, in vivo gamma scintigraphy was carried out in six healthy rabbits, after radio labeling the formulation with 99mTc. The transit profiles demonstrated that the dosage form was retained in the stomach for more than 5 hrs. The study signifies the potential of the developed system for stomach targeted delivery of atenolol with improved bioavailability.

Keywords: floating tablet, factorial design, gamma scintigraphy, antihypertensive model drug, HPMC, locust bean gum

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365 Sustainable and Efficient Recovery of Polyhydroxyalkanoate Polymer from Cupriavidus necator Using Environment Friendly Solvents

Authors: Geeta Gahlawat, Sanjeev Kumar Soni

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An imprudent use of environmentally hazardous petrochemical-based plastics and limited availability of fossil fuels have provoked research interests towards production of biodegradable plastics - polyhydroxyalkanoate (PHAs). However, the industrial application of PHAs based products is primarily restricted by their high cost of recovery and extraction protocols. Moreover, solvents used for the extraction and purification are toxic and volatile which causes adverse environmental hazards. Development of efficient downstream recovery strategies along with utilization of non-toxic solvents will accelerate their commercialization. In this study, various extraction strategies were designed for sustainable and cost-effective recovery of PHAs from Cupriavidus necator using non-toxic environment friendly solvents viz. 1,2-propylene carbonate, ethyl acetate, isoamyl alcohol, butyl acetate. The effect of incubation time i.e. 10, 30 and 50 min and temperature i.e. 60, 80, 100, 120°C was tested to identify the most suitable solvent. PHAs extraction using a recyclable solvent, 1,2 propylene carbonate, showed the highest recovery yield (90%) and purity (93%) at 120°C and 30 min incubation. Ethyl acetate showed the better capacity to recover PHAs from cells than butyl acetate. Extraction with ethyl acetate exhibited high recovery yield and purity of 96% and 92%, respectively at 100°C. Effect of non-toxic surfactant such as linear alkylbenzene sulfonic acid (LAS) was also studied at 40, 60 and 80°C, and detergent pH range of 3.0, 5.0, 7.0 and 9.0 for the extraction of PHAs from the cells. LAS gave highest yield of 86% and purity of 88% at temperature 80°C and 5.0 pH.

Keywords: polyhydroxyalkanoates, Cupriavidus necator, extraction, recovery yield

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364 High Temperature Oxidation of Additively Manufactured Silicon Carbide/Carbon Fiber Nanocomposites

Authors: Saja M. Nabat Al-Ajrash, Charles Browning, Rose Eckerle, Li Cao, Robyn L. Bradford, Donald Klosterman

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An additive manufacturing process and subsequent pyrolysis cycle were used to fabricate SiC matrix/carbon fiber hybrid composites. The matrix was fabricated using a mixture of preceramic polymer and acrylate monomers, while polyacrylonitrile (PAN) precursor was used to fabricate fibers via electrospinning. The precursor matrix and reinforcing fibers at 0, 2, 5, or 10 wt% were printed using digital light processing, and both were simultaneously pyrolyzed to yield the final ceramic matrix composite structure. After pyrolysis, XRD and SEAD analysis proved the existence of SiC nanocrystals and turbostratic carbon structure in the matrix, while the reinforcement phase was shown to have a turbostratic carbon structure similar to commercial carbon fibers. Thermogravimetric analysis (TGA) in the air up to 1400 °C was used to evaluate the oxidation resistance of this material. TGA results showed some weight loss due to oxidation of SiC and/or carbon up to about 900 °C, followed by weight gain to about 1200 °C due to the formation of a protective SiO2 layer. Although increasing carbon fiber content negatively impacted the total mass loss for the first heating cycle, exposure of the composite to second-run air revealed negligible weight chance. This is explained by SiO2 layer formation, which acts as a protective film that prevents oxygen diffusion. Oxidation of SiC and the formation of a glassy layer has been proven to protect the sample from further oxidation, as well as provide healing of surface cracks and defects, as revealed by SEM analysis.

Keywords: silicon carbide, carbon fibers, additive manufacturing, composite

Procedia PDF Downloads 67
363 Thiazolo [5,4-d] Thiazole Based Polymers and Investigation of Optical Properties for Electronic Applications

Authors: Zeynep Dikmen, Vural Bütün

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Electron donor or acceptor capability to participate in electron conjugation is the requirement for an electroactive material. Conjugated molecules and polymers bearing heterocyclic units have potential as optically electroactive materials. Thiazolo thiazole based compounds have attention for last two decades, because they have attractive electronic and optical properties, these compounds are useful for electronic application areas such as dye sentisized solar cells (DSSCs), organic light emitting diodes (OLEDs) and field effect transistors (FETs). Thiazolo[5,4-d]thiazole is bicyclic aromatic structure contains N and S atoms which act as electron donor. A new electron accepting or donating group bound to thiazolo [5,4-d] thiazole fused ring can change the electronic, spectroscopic, stability and dyeing properties of the new material. Polyphenylene(thiazolo [5,4-d] thiazole) (p-PhTT) compound was synthesized via condensation reaction of terephthalaldehyde with dithiooxamide. The chemical structure was determined with solid state 13C NMR spectroscopy. Optical properties (i.e. absorbance and band gap) was determined via solid UV-vis spectroscopy. The insoluble polymer was quarternized with 4-vinylbenzyl chloride (VBC). Colorless VBC changed into a yellow liquid. AgNO3 complex were prepared and optical properties were investigated with UV-Vis, fluorescence spectroscopy and X-ray spectroscopy and cyclic voltammetry studies were examined in this research. This structure exhibits good absorbance and fluorescence in UV-vis region. Synthesis scheme of PyTT and preparation of metal complexes are given. PyTT has absorbance at ~360 nm and fluorescence at ~420 nm.

Keywords: thiazolo thiazole, quarternized polymers, polymeric ligands, Ag complexes

Procedia PDF Downloads 256
362 Marine Litter and Microplastic Pollution in Mangrove Sediments in The Sea of Oman

Authors: Muna Al-Tarshi, Dobretsov Sergey, Wenresti Gallardo

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Marine litter pollution is a global concern that has wide-ranging ecological, societal, and economic implications, along with potential health risks for humans. In Oman, inadequate solid waste management has led to the accumulation of litter in mangrove ecosystems. However, there is a dearth of information on marine litter and microplastic pollution in Omani mangroves, impeding the formulation of effective mitigation strategies. To address this knowledge gap, we conducted a comprehensive assessment of marine litter and microplastics in mangrove sediments in the Sea of Oman. Our study measured the average abundance of marine litter, which ranged from 0.83±1.03 to 19.42±8.52 items/m2. Notably, plastics constituted the majority of litter, accounting for 73-96% of all items, with soft plastics being the most prevalent. Furthermore, we investigated microplastic concentrations in the sediments, finding levels ranging from 6 to 256 pieces /kg. Among the studied areas, afforested mangroves in Al-Sawadi exhibited the highest average abundance of microplastics (27.52±5.32 pieces/ kg), while the Marine Protected Area Al Qurum had the lowest average abundance (0.60±1.12 pieces /kg). These findings significantly contribute to our understanding of marine litter and microplastic pollution in Omani mangroves. They provide valuable baseline data for future monitoring initiatives and the development of targeted management strategies. Urgent action is needed to implement effective waste management practices and interventions to protect the ecological integrity of mangrove ecosystems in Oman and mitigate the risks associated with marine litter and microplastics.

Keywords: microplastics, anthropogenic marine litter, ftir, polymer, khawr, mangrove, sediment

Procedia PDF Downloads 75
361 Molecular Engineering of High-Performance Nanofiltration Membranes from Intrinsically Microporous Poly (Ether-Ether-Ketone)

Authors: Mahmoud A. Abdulhamid

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Poly(ether-ether-ketone) (PEEK) has received increased attention due to its outstanding performance in different membrane applications including gas and liquid separation. However, it suffers from a semi-crystalline morphology, bad solubility and low porosity. To fabricate membranes from PEEK, the usage of harsh acid such as sulfuric acid is essential, regardless its hazardous properties. In this work, we report the molecular design of poly(ether-ether-ketones) (iPEEKs) with intrinsic porosity character, by incorporating kinked units into PEEK backbone such as spirobisindane, Tröger's base, and triptycene. The porous polymers were used to fabricate stable membranes for organic solvent nanofiltration application. To better understand the mechanism, we conducted molecular dynamics simulations to evaluate the possible interactions between the polymers and the solvents. Notable enhancement in separation performance was observed confirming the importance of molecular engineering of high-performance polymers. The iPEEKs demonstrated good solubility in polar aprotic solvents, a high surface area of 205–250 m² g⁻¹, and excellent thermal stability. Mechanically flexible nanofiltration membranes were prepared from N-methyl-2-pyrrolidone dope solution at iPEEK concentrations of 19–35 wt%. The molecular weight cutoff of the membranes was fine-tuned in the range of 450–845 g mol⁻¹ displaying 2–6 fold higher permeance (3.57–11.09 L m⁻² h⁻¹ bar⁻¹) than previous reports. The long-term stabilities were demonstrated by a 7 day continuous cross-flow filtration.

Keywords: molecular engineering, polymer synthesis, membrane fabrication, liquid separation

Procedia PDF Downloads 88
360 Molecular Dynamics Studies of Main Factors Affecting Mass Transport Phenomena on Cathode of Polymer Electrolyte Membrane Fuel Cell

Authors: Jingjing Huang, Nengwei Li, Guanghua Wei, Jiabin You, Chao Wang, Junliang Zhang

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In this work, molecular dynamics (MD) simulation is applied to analyze the mass transport process in the cathode of proton exchange membrane fuel cell (PEMFC), of which all types of molecules situated in the cathode is considered. a reasonable and effective MD simulation process is provided, and models were built and compared using both Materials Studio and LAMMPS. The mass transport is one of the key issues in the study of proton exchange membrane fuel cells (PEMFCs). In this report, molecular dynamics (MD) simulation is applied to analyze the influence of Nafion ionomer distribution and Pt nano-particle size on mass transport process in the cathode. It is indicated by the diffusion coefficients calculation that a larger quantity of Nafion, as well as a higher equivalent weight (EW) value, will hinder the transport of oxygen. In addition, medium-sized Pt nano-particles (1.5~2nm) are more advantageous in terms of proton transport compared with other particle sizes (0.94~2.55nm) when the center-to-center distance between two Pt nano-particles is around 5 nm. Then mass transport channels are found to be formed between the hydrophobic backbone and the hydrophilic side chains of Nafion ionomer according to the radial distribution function (RDF) curves. And the morphology of these channels affected by the Pt size is believed to influence the transport of hydronium ions and, consequently the performance of PEMFC.

Keywords: cathode catalytic layer, mass transport, molecular dynamics, proton exchange membrane fuel cell

Procedia PDF Downloads 215