Search results for: chemical properties

Authors: Sónia C. Andrade, Solange F. Oliveira, Raquel P. F. Guiné, Paula M. R. Correia

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Flours of wheat, chestnut, acorn and lupin were evaluated in relation to phenolic compounds, antioxidant activity, and oxalate content. At the chemical level the results show some variability between samples by type of flour, and the sample of chestnut flour presented the higher value of oxalate (0.00348 mg/100g) when compared to the other samples in the study. Considering the content of phenolic compounds, the sample that stood out was the acorn flour, having a high value of 0.812 g AGE/100 g. All the samples presented intermediate content of antioxidant activity and the sample that showed a slightly higher value was the wheat flour with a value of 0.746 mM TRE/g sample.

Keywords: Wheat, Acorn, Lupin, Chestnut, Flour, Antioxidant properties, Oxalate

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Authors: Alireza Khaloo, Asghar Gholizadeh-Vayghan

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The present work focuses on the characterization of the physicochemical properties of kaolinitic clays in both raw and calcined (i.e., dehydroxylated) states. The properties investigated included the dehydroxylation temperature, chemical composition and crystalline phases, band types, kaolinite content, vitreous phase, and reactive and unreactive silica and alumina. The thermogravimetric analysis, X-ray diffractometry and infrared spectroscopy results suggest that full dehydroxylation takes place at 639°C, converting kaolinite to reactive metakaolinite (Si₂Al₂O₇). Application of higher temperatures up to 800 °C leads to complete decarbonation of the calcite phase, and the kaolinite converts to mullite at temperatures exceeding 957 °C. Calcination at 639°C was found to cause a 50% increase in the vitreous content of kaolin. Statistically meaningful increases in the reactivity of silica, alumina, calcite and sodium carbonate in kaolin were detected as a result of such thermal treatment. Such increases were found to be 11%, 47%, 240% and 10%, respectively. The ferrite phase, however, showed a 36% decline in reactivity. The proposed approach can be used as an analytical method to determine the viability of the source of kaolinite and proper physical and chemical modifications needed to enhance its suitability for geopolymer production.

Keywords: physicochemical properties, dehydroxylation, kaolinitic clays, kaolinite content, vitreous phase, reactivity

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Authors: Mohamed Eldessouki, Ebraheem Shady, Yasser Gowayed

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Carbon nanotubes (CNTs) are known for having high elastic properties with high surface area that promote them as good candidates for reinforcing polymeric matrices. In composite materials, CNTs lack chemical bonding with the surrounding matrix which decreases the possibility of better stress transfer between the components. In this work, a chemical treatment for activating the surface of the multi-wall carbon nanotubes (MWCNT) was applied and the effect of this functionalization on the elastic properties of the epoxy nanocomposites was studied. Functional amino-groups were added to the surface of the CNTs and it was evaluated to be about 34% of the total weight of the CNTs. Elastic modulus was found to increase by about 40% of the neat epoxy resin at CNTs’ weight fraction of 0.5%. The elastic modulus was found to decrease after reaching a certain concentration of CNTs which was found to be 1% wt. The scanning electron microscopic pictures showed the effect of the CNTs on the crack propagation through the sample by forming stress concentrated spots at the nanocomposite samples.

Keywords: carbon nanotubes functionalization, crack propagation, elastic modulus, epoxy nanocomposites

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Authors: Alya Harichane, Abderraouf Achour, Abdelbaki Benmounah

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The main difficulty encountered in the formulation of high-performance concrete (HPC) consists in choosing the most efficient cement-superplasticizer pair allowing to obtain maximum water reduction, good workability of the concrete in the fresh state, and very good mechanical resistance in the hardened state. The aim of this work is to test the efficiency of three polycarboxylate ether-based superplasticizers (PCE) marketed in Algeria with CEMI 52.5 R cement and to study the effect of chemical structure of PCE on zeta potential, rheological and mechanical properties of cement pastes. The property of the polymers in cement was tested by a Malvern Zetasizer 2000 apparatus and VT 550 viscometer. Results showed that the zeta potential and its rheological properties are related to the molecular weight and the density carboxylic of PCE. The PCE with a moderate molecular weight and the highest carboxylic groups had the best dispersion (high value of zeta potential) and lowest viscosity. The effect of the chemical structure of PCEs on mechanical properties is evaluated by the formulation of cement mortar with these PCEs. The result shows that there is a correlation between the zeta potential of polymer and the compressive strength of cement paste.

Keywords: molecular weight, polycarboxylate-ether superplasticizer, rheology, zeta potential

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Authors: Débora C. Mendes, Matthias Eckert, Cláudia S. Moço, Hélio Martins, Jean-Pierre P. Gonçalves, Miguel Oliveira, José P. Da Silva

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Uncontrolled disposal of construction and demolition waste (C & DW) in embankments in the periphery of cities causes both environmental and social problems, namely erosion, deforestation, water contamination and human conflicts. One of the milestones of EU Horizon 2020 Programme is the management of waste as a resource. To achieve this purpose for C & DW, a detailed analysis of the properties of these materials should be done. In this work we report the physical, chemical and environmental properties of C & DW aggregates from 25 different origins. The results are compared with those of common natural aggregates used in construction. Assays were performed according to European Standards. Additional analysis of heavy metals and organic compounds such as polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs), were performed to evaluate their environmental impact. Finally, properties of concrete prepared with C & DW aggregates are also reported. Physical analyses of C & DW aggregates indicated lower quality properties than natural aggregates, particularly for concrete preparation and unbound layers of road pavements. Chemical properties showed that most samples (80%) meet the values required by European regulations for concrete and unbound layers of road pavements. Analyses of heavy metals Cd, Cr, Cu, Pb, Ni, Mo and Zn in the C&DW leachates showed levels below the limits established by the Council Decision of 19 December 2002. Identification and quantification of PCBs and PAHs indicated that few samples shows the presence of these compounds. The measured levels of PCBs and PAHs are also below the limits. Other compounds identified in the C&DW leachates include phthalates and diphenylmethanol. In conclusion, the characterized C&DW aggregates show lower quality properties than natural aggregates but most samples showed to be environmentally safe. A continuous monitoring of the presence of heavy metals and organic compounds should be made to trial safe C&DW aggregates. C&DW aggregates provide a good economic and environmental alternative to natural aggregates.

Keywords: concrete preparation, construction and demolition waste, heavy metals, organic pollutants

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Authors: Magdi M. E. Zumrawi, Khalid A. Eltayeb

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Chemical stabilization is a technique commonly used to improve the expansive soil properties. In this regard, an attempt has been made to evaluate the influence of Calcium Chloride (CaCl2) stabilizer on the engineering properties of expansive soil. A series of laboratory experiments including consistency limits, free swell, compaction, and shear strength tests were performed to investigate the effect of CaCl2 additive with various percentages 0%, 2%, 5%, 10% and 15% for improving expansive soil. The results obtained shows that the increase in the percentage of CaCl2 decreased the liquid limit and plasticity index leading to significant reduction in the free swell index. This, in turn, increased the maximum dry density and decreased the optimum moisture content which results in greater strength. The unconfined compressive strength of soil stabilized with 5% CaCl2 increased approximately by 50% as compared to virgin soil. It can be concluded that CaCl2 had shown promising influence on the strength and swelling properties of expansive soil, thereby giving an advantage in improving problematic expansive soil.

Keywords: calcium chloride, chemical stabilization, expansive soil, improving

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Authors: Ali Ashjaran

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Graphene is undoubtedly emerging as one of the most promising materials because of its unique combination of superb properties, which opens a way for its exploitation in a wide spectrum of applications ranging from electronics to optics, sensors, and biodevices. In addition, Graphene-based nanomaterials have many promising applications in energy-related areas. Graphene a single layer of carbon atoms, combines several exceptional properties, which makes it uniquely suited as a coating material: transparency, excellent mechanical stability, low chemical reactivity, Optical, impermeability to most gases, flexibility, and very high thermal and electrical conductivity. Graphene is a material that can be utilized in numerous disciplines including, but not limited to: bioengineering, composite materials, energy technology and nanotechnology, biological engineering, optical electronics, ultrafiltration, photovoltaic cells. This review aims to provide an overiew of graphene structure, properties and some applications.

Keywords: graphene, carbon, anti corrosion, optical and electrical properties, sensors

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Authors: Shahla Hajializadeh, Maryam Hamedanlou

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Multiwall carbon nanotubes were chemically modified with amide groups for the purpose of enhancing their chemical affinity with waterborne polyurethane. In this study, a thermoplastic nanocomposite containing functionalized multiwall carbon nanotube/waterborne polyurethane (WBPU/MWNT) via in situ polymerization has been prepared. The impacts of MWNT addition on the morphology and electrical properties of nanocomposites were investigated. Micrographs of Scanning Electron Microscopy (SEM) prove that functionalized CNT can be effectively dispersed in WBPU matrix. The electrical conductivity of nanocomposites increased with the CNT contents in as such the nanocomposites containing 1 wt% of MWNT exhibited a conductivity nearly five orders of magnitude higher than the WBPU film.

Keywords: chemical functionalization, electrical properties, in situ polymerization, morphology, multiwall carbon nanotubes, waterborne polyurethane

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Authors: Hlaing Zaw Oo, N. Kostromina, V. Osipchik, T. Kravchenko, K. Yakovleva

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The process of modification of ed-20 epoxy resin synthesized by vinyl-containing compounds is considered. It is shown that the introduction of vinyl-containing compounds into the composition based on epoxy resin ED-20 allows adjusting the technological and operational characteristics of the binder. For improvement of the properties of epoxy resin, following modifiers were selected: polyvinylformalethyl, polyvinyl butyral and composition of linear and aromatic amines (Аramine) as a hardener. Now the big range of hardeners of epoxy resins exists that allows varying technological properties of compositions, and also thermophysical and strength indicators. The nature of the aramin type hardener has a significant impact on the spatial parameters of the mesh, glass transition temperature, and strength characteristics. Epoxy composite materials based on ED-20 modified with polyvinyl butyral were obtained and investigated. It is shown that the composition of resins based on derivatives of polyvinyl butyral and ED-20 allows obtaining composite materials with a higher complex of deformation-strength, adhesion and thermal properties, better water resistance, frost resistance, chemical resistance, and impact strength. The magnitude of the effect depends on the chemical structure, temperature and curing time. In the area of concentrations, where the effect of composite synergy is appearing, the values of strength and stiffness significantly exceed the similar parameters of the individual components of the mixture. The polymer-polymer compositions form their class of materials with diverse specific properties that ensure their competitive application. Coatings with high performance under cyclic loading have been obtained based on epoxy oligomers modified with vinyl-containing compounds.

Keywords: epoxy resins, modification, vinyl-containing compounds, deformation, strength properties

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Authors: Othman Saoudi

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In this work, we have interested in the investigation of the chemical denaturants and synthesized ionic liquids effects on the fluorescence properties of the laccase from Trametes versicolor. The fluorescence properties of the laccase result from the presence of Tryptophan, which has an aromatic core responsible for the absorption in ultra violet domain and the emission of the photons of fluorescence. The effect Pyrrolidinuim Formate ([pyrr][F]) and Morpholinium Formate ([morph][F]) ionic liquids on the laccase behavior for various volumetric fractions are studied. We have shown that the fluorescence spectrum relative to the [pyrr][F] presents a single band with a maximum around 340 nm and a secondary peak at 361 nm for a volumetric fraction of 20% v/v. For concentration superiors to 40%, the fluorescence intensity decreases and a displacement of the peaks toward higher wavelengths has occurred. For the [morph][F], the fluorescence spectrum showed a single band around 340 nm. The intensity of the principal peak decreases for concentration superiors to 20% v/v. From the plot representing the variation of the λₘₐₓ versus the volumetric concentration, we have determined the concentration of the half-transitions C1/2. These concentrations are equal to 42.62% and 40.91% v/v in the presence of [pyrr][F] and [morph][F] respectively. For the chemical denaturation, we have shown that the fluorescence intensity decreases with increasing denaturant concentrations where the maximum of the wavelength of emission shifts toward the higher wavelengths. We have also determined from the spectrum relative to the urea and GdmCl, the unfolding energy, ∆GD. The results show that the variation of the unfolding energy as a function of the denaturant concentrations varies according to the linear regression model. We have demonstrated also that the half-transitions C1/2 have occurred for urea and GdmCl denaturants concentrations around 3.06 and 3.17 M respectively.

Keywords: laccase, fluorescence, ionic liquids, chemical denaturants

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Authors: Amitkumar Barot, Vijaykumar Sinha

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There is growing interest in the development of new materials based on recycled polymers from plastic waste, and also in the field of lubricants much effort has been spent on substitution of petro-based raw materials by natural-based renewable ones. This is due to the facts of depleting fossil fuels and due to strict environmental laws. In relevance to this, new technique for the formulation of grease that combines the chemical recycling of poly (ethylene terephthalate) PET with the use of castor oil (CO) has been developed. Comparison to diols used in chemical recycling of PET, castor oil is renewable, easily available, environmentally friendly, economically cheaper and hence sustainability indeed. The process parameters like CO concentration and temperature were altered, and further, the influences of the process parameters have been studied in order to establish technically and commercially viable process. Further thereby formed depolymerized product find an application as base oil in the formulation of grease. A depolymerized product has been characterized by various chemical and instrumental methods, while formulated greases have been evaluated for its tribological properties. The grease formulated using this new environmentally friendly approach presents applicative properties similar, and in some cases superior, compared to those of a commercial grease obtained from non-renewable resources.

Keywords: castor oil, grease formulation, recycling, sustainability

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Authors: Kiatnarong Supapanmanee, Ekkarin Phongphinittana, Pongsak Nimdum

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Natural fibers are readily available raw materials that are widely used as composite materials. The most common problem facing many researchers with composites made from this fiber is the adhesion between the natural fiber contact surface and the matrix material. Part of the problem is due to the hydrophilic properties of natural fibers and the hydrophobic properties of the matrix material. Based on the aforementioned problems, this research selected bamboo fiber, which is a strong natural fiber in the research study. The first step was to study the effect of the mechanical properties of the pure bamboo strip by testing the tensile strength of different measurement lengths. The bamboo strip was modified surface with sodium hydroxide (NaOH) at 6wt% concentrations for different soaking periods. After surface modification, the physical and mechanical properties of the pure bamboo strip fibers were studied. The modified and unmodified bamboo strips were molded into a composite material using epoxy as a matrix to compare the mechanical properties and adhesion between the fiber surface and the material with tensile and bending tests. In addition, the results of these tests were compared with the finite element method (FEM). The results showed that the length of the bamboo strip affects the strength of the fibers, with shorter fibers causing higher tensile stress. Effects of surface modification of bamboo strip with NaOH, this chemical eliminates lignin and hemicellulose, resulting in the smaller dimension of the bamboo strip and increased density. From the pretreatment results above, it was found that the treated bamboo strip and composite material had better Ultimate tensile stress and Young's modulus. Moreover, that results in better adhesion between bamboo fiber and matrix material.

Keywords: bamboo fiber, bamboo strip, composite material, bamboo composite, pure bamboo, surface modification, mechanical properties of bamboo, bamboo finite element method

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Authors: Ansong Richard Omari, Yosei Oikawa, Yoshiharu Fujii, Dorothea Sonoko Bellingrath-Kimura

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Renewed interest in soil management aimed at improving the productive capacity of Sub Saharan Africa (SSA) soils has called for the need to analyse the long term effect of different fertilization systems on soil. This study was conducted in two agroecological zones (i.e., Guinea Savannah (GS) and Deciduous forest (DF)) of Ghana to evaluate the impacts of long term (> 5 years) fertilization schemes on soil chemical and microbial properties. Soil samples under four different fertilization schemes (inorganic, inorganic and organic, organic, and no fertilization) were collected from 20 farmers` field in both agroecological zones. Soil analyses were conducted using standard procedures. All average soil quality parameters except extractable C, potential mineralizable nitrogen and CEC were significantly higher in DF sites compared to GS. Inorganic fertilization proved superior in soil chemical and microbial biomass especially in GS zone. In GS, soil deterioration index (DI) revealed that soil quality deteriorated significantly (−26%) under only organic fertilization system whereas soil improvement was observed under inorganic and no fertilization sites. In DF, either inorganic or organic and inorganic fertilization showed significant positive effects on soil quality. The high soil chemical composition and enhanced microbial biomass in DF were associated with the high rate of inorganic fertilization.

Keywords: deterioration index, fertilization scheme, microbial biomass, tropical agroecological zone

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Authors: B. S Kaith, K. Sharma, V. Kumar, S. Kalia

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Superabsorbent are three-dimensional networks of linear or branched polymeric chains which can uptake large volume of biological fluids. The ability is due to the presence of functional groups like –NH2, -COOH and –OH. Such cross-linked products based on natural materials, such as cellulose, starch, dextran, gum and chitosan, because of their easy availability, low production cost, non-toxicity and biodegradability have attracted the attention of Scientists and Technologists all over the world. Since natural polymers have better biocompatibility and are non-toxic than most synthetic one, therefore, such materials can be applied in the preparation of controlled drug delivery devices, biosensors, tissue engineering, contact lenses, soil conditioning, removal of heavy metal ions and dyes. Gums are natural potential antioxidants and are used as food additives. They have excellent properties like high solubility, pH stability, non-toxicity and gelling characteristics. Till date lot of methods have been applied for the synthesis and modifications of cross-linked materials with improved properties suitable for different applications. It is well known that ion beam irradiation can play a crucial role to synthesize, modify, crosslink or degrade polymeric materials. High energetic heavy ions irradiation on polymer film induces significant changes like chain scission, cross-linking, structural changes, amorphization and degradation in bulk. Various researchers reported the effects of low and heavy ion irradiation on the properties of polymeric materials and observed significant improvement in optical, electrical, chemical, thermal and dielectric properties. Moreover, modifications induced in the materials mainly depend on the structure, the ion beam parameters like energy, linear energy transfer, fluence, mass, charge and the nature of the target material. Ion-beam irradiation is a useful technique for improving the surface properties of biodegradable polymers without missing the bulk properties. Therefore, a considerable interest has been grown to study the effects of SHIs irradiation on the properties of synthesized semi-IPNs and IPNs. The present work deals with the preparation of semi-IPNs and IPNs and impact of SHI like O7+ and Ni9+ irradiation on optical, chemical, structural, morphological and thermal properties along with impact on different applications. The results have been discussed on the basis of Linear Energy Transfer (LET) of the ions.

Keywords: adsorbent, gel, IPNs, semi-IPNs

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Authors: Ali Alhajeri, Tarig Makki, Mosa Almutahhar, Mohammed Ahmed, Usman Ali

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Metal powder is the raw material used for laser powder-bed fusion (LPBF) additive manufacturing (AM). There are many metal materials that can be used in LPBF. The properties of these materials are varied between each other, which can affect the building part. The objective of this paper is to do an overview of the titanium powders available in LBPF. Comparison between different literature works will lead us to study the similarities and differences between the powder properties such as size, shape, and chemical composition. Furthermore, the results of this paper will point out the significant titanium powder properties in order to clearly illustrate their effect on the build parts.

Keywords: LPBF, titanium, Ti-6Al-4V, Ti-5553, metal powder, AM

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Authors: El Kolli Meriem, Laouer Hocine, Sahli Farida, Akkal Salah, El Kolli Hayet

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The aerial parts of Daucus gracilis (Apiaceae) were subjected to hydrodistillation by a Clevenger apparatus to obtain the essential oil (EO) which has been analyzed by Gas Chromatography (GC) and GC coupled with mass spectrometry. The antioxidant properties of this EO and D. gracilis methanolic extract were studied by both of the free diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and the reducing power techniques. The dominant constituents of the EO were the elemicin (35.3 %) and the geranyl acetate (26.8 %). Both of EO and methanolic extract showed important antioxidant properties with respectively IC50 of 0,002 mg/ml and 0.06 mg/ml. They showed also a reducing power dose-dependent.

Keywords: daucus gracilis, apiaceae, essential oil, antioxidant activity

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Authors: N. Demirsoy, N. Uçar, A. Önen, N. Kızıldağ, Ö. F. Vurur, O. Eren, İ. Karacan

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Polymer composite nano-fibers including (1, 3 wt %) silver nano-particles have been produced by electrospinning method. Polyacrylonitrile/N,N-dimethylformamide (PAN/DMF) solution has been prepared and the amount of silver nitrate has been adjusted to PAN weight. Silver nano-particles were obtained from reduction of silver ions into silver nano-particles by chemical reduction by hydrazine hydroxide (N2H5OH). The different amount of silver salt was loaded into polymer matrix to obtain polyacrylonitrile composite nano-fiber containing silver nano-particles. The effect of the amount of silver nano-particles on the properties of composite nano-fiber web was investigated. Electrical conductivity, mechanical properties, thermal properties were examined by Microtest LCR Meter 6370 (0.01 mΩ-100 MΩ), tensile tester, differential scanning calorimeter DSC (Q10) and SEM, respectively. Also, antimicrobial efficiency test (ASTM E2149-10) was done against Staphylococcus aureus bacteria. It has been seen that breaking strength, conductivity, antimicrobial effect, enthalpy during cyclization increase by use of silver nano-particles while the diameter of nano-fiber decreases.

Keywords: composite polyacrylonitrile nanofiber, electrical conductivity, electrospinning, mechanical properties, thermal properties, silver nanoparticles

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Authors: Asif Jan

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Sodium hypochlorite (NaClO) is a common cleaning agent for ultrafiltration (UF) membranes. While its detrimental effects on polymeric membranes are well-documented, its impact on ceramic membranes remains less explored. This study investigates the chemical stability of silicon carbide (SiC) UF membranes prepared using low-pressure chemical vapor deposition (LP-CVD) during prolonged NaClO exposure. SiC UF membranes were fabricated via LP-CVD at two different temperature and pressure conditions. LP-CVD offers the advantage of SiC membrane fabrication at significantly lower temperatures (700-900°C) compared to conventional methods. The membranes were subjected to 200 hours of NaClO aging to assess their resilience. Before and after aging, we evaluated the properties and performance of the SiC UF membranes to identify optimal LP-CVD conditions. Our findings show that SiC UF membranes produced at 860°C via LP-CVD exhibit exceptional resistance to NaClO aging, whereas those prepared at 750°C experience significant deterioration. This highlights the crucial role of precise LP-CVD parameters in ensuring the robustness and long-term performance of SiC membranes in harsh chemical cleaning environments.

Keywords: ceramic membranes, ultrafiltration membranes, wastewater treatment, chemical vapor deposition

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Authors: Gondrexon, Gonon, Mendil-Jakani, Mareau

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Proton Exchange Membrane Fuel Cells (PEMFCs) seems to be a promising device used for converting hydrogen into electricity. PEMFC is made of a Membrane Electrode Assembly (MEA) composed of a Proton Exchange Membrane (PEM) sandwiched by two catalytic layers. Nowadays, specific performances are targeted in order to ensure the long-term expansion of this technology. Current polymers used (perfluorinated as Nafion®) are unsuitable (loss of mechanical properties) for the high-temperature range. To overcome this issue, sulfonated polyaromatic polymers appear to be a good alternative since it has very good thermomechanical properties. However, their proton conductivity and chemical stability (oxidative resistance to H2O2 formed during fuel cell (FC) operating) are very low. In our team, we patented an original concept of hybrid membranes able to fulfill the specific requirements for PEMFC. This idea is based on the improvement of commercialized polymer membrane via an easy and processable stabilization thanks to sol-gel (SG) chemistry with judicious embeded chemical functions. This strategy is thus breaking up with traditional approaches (design of new copolymers, use of inorganic charges/additives). In 2020, we presented the elaboration and functional properties of a 1st generation of hybrid membranes with promising performances and durability. The latter was made by self-condensing a SG phase with 3(mercaptopropyl)trimethoxysilane (MPTMS) inside a commercial sPEEK host membrane. The successful in-situ condensation reactions of the MPTMS was demonstrated by measures of mass uptakes, FTIR spectroscopy (presence of C-Haliphatics) and solid state NMR 29Si (T2 & T3 signals of self-condensation products). The ability of the SG phase to prevent the oxidative degradation of the sPEEK phase (thanks to thiol chemical functions) was then proved with H2O2 accelerating tests and FC operating tests. A 2nd generation made of thiourea functionalized SG precursors (named HTU & TTU) was made after. By analysing in depth the morphologies of these different hybrids by direct space analysis (AFM/SEM/TEM) and reciprocal space analysis (SANS/SAXS/WAXS), we highlighted that both SG phase morphology and its localisation into the host has a huge impact on the PEM functional properties observed. This relationship is also dependent on the chemical function embedded. The hybrids obtained have shown very good chemical resistance during aging test (exposed to H2O2) compared to the commercial sPEEK. But the chemical function used is considered as “sacrificial” and cannot react indefinitely with H2O2. Thus, we are now working on a 3rd generation made of both sacrificial/regenerative chemical functions which are expected to inhibit the chemical aging of sPEEK more efficiently. With this work, we are confident to reach a predictive approach of the key parameters governing the final properties.

Keywords: fuel cells, ionomers, membranes, sPEEK, chemical stability

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Authors: Dong Won Kim, Hye Ji Kim, Hyun Young Jung

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Improved energy storage is inevitably needed to improve energy efficiency and to be environmentally friendly to chemical processes. Ionic liquids (ILs) can play a crucial role in addressing these needs due to inherent adjustable properties including low volatility, low flammability, inherent conductivity, wide liquid range, broad electrochemical window, high thermal stability, and recyclability. Here, binary mixtures of ILs were prepared with fumed silica nanoparticles and characterized to obtain ILs with conductivity and electrochemical properties optimized for use in energy storage devices. The solutes were prepared by varying the size and the weight percent concentration of the nanoparticles and made up 10 % of the binary mixture by weight. We report on the physical and electrochemical properties of the individual ILs and their binary mixtures.

Keywords: ionic liquid, silica nanoparticle, energy storage, electrochemical properties

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Authors: Maria Fontenele, Claude-Gilles Dussap, Vincent Dumouilla, Baptiste Boit

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Roquette Frères is a producer of plant-based ingredients that employs many processes to extract relevant molecules and often transforms them through chemical and physical processes to create desired ingredients with specific functionalities. In this context, Roquette encounters numerous multi-component complex systems in their processes, including fibers, proteins, and carbohydrates, in an aqueous environment. To develop, control, and optimize both new and old processes, Roquette aims to develop new in silico tools. Currently, Roquette uses process modelling tools which include specific thermodynamic models and is willing to develop computational methodologies such as molecular dynamics simulations to gain insights into the complex interactions in such complex media, and especially hydrogen bonding interactions. The issue at hand concerns aqueous mixtures of polyols with high dry matter content. The polyols mannitol and sorbitol molecules are diastereoisomers that have nearly identical chemical structures but very different physicochemical properties: for example, the solubility of sorbitol in water is 2.5 kg/kg of water, while mannitol has a solubility of 0.25 kg/kg of water at 25°C. Therefore, predicting liquid-solid equilibrium properties in this case requires sophisticated solution models that cannot be based solely on chemical group contributions, knowing that for mannitol and sorbitol, the chemical constitutive groups are the same. Recognizing the significance of solvation phenomena in polyols, the GePEB (Chemical Engineering, Applied Thermodynamics, and Biosystems) team at Institut Pascal has developed the COSMO-UCA model, which has the structural advantage of using quantum mechanics tools to predict formation and phase equilibrium properties. In this work, we use molecular dynamics simulations to elucidate the behavior of polyols in aqueous solution. Specifically, we employ simulations to compute essential metrics such as radial distribution functions and hydrogen bond autocorrelation functions. Our findings illuminate a fundamental contrast: sorbitol and mannitol exhibit disparate hydrogen bond lifetimes within aqueous environments. This observation serves as a cornerstone in elucidating the divergent physicochemical properties inherent to each compound, shedding light on the nuanced interplay between their molecular structures and water interactions. We also present a methodology to predict the physicochemical properties of complex solutions, taking as sole input the three-dimensional structure of the molecules in the medium. Finally, by developing knowledge models, we represent some physicochemical properties of aqueous solutions of sorbitol and mannitol.

Keywords: COSMO models, hydrogen bond, molecular dynamics, thermodynamics

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Authors: Esmat Mohammadinasab

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The aim of this paper is to investigate theoretically and establish a predictive model for determination LogP of armchair polyhex BN nanotubes by using simple descriptors. The relationship between the octanol-water partition coefficient (LogP) and quantum chemical descriptors, electric moments, and topological indices of some armchair polyhex BN nanotubes with various lengths and fixed circumference are represented. Based on density functional theory (DFT) electric moments and physico-chemical properties of those nanotubes are calculated. The DFT method performed based on the Becke’s 3-parameter formulation with the Lee-Yang-Parr functional (B3LYP) method and 3-21G standard basis sets. For the first time, the relationship between partition coefficient and different properties of polyhex BN nanotubes is investigated.

Keywords: topological indices, quantum descriptors, DFT method, nanotubes

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Authors: Marzena Tokarewicz, Malgorzata Gradzka-Dahlke

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High-entropy alloys (HEAs) have gained significant attention due to their great potential as functional and structural materials. HEAs have very good mechanical properties (in particular, alloys based on CoCrNi). They also show the ability to maintain their strength at high temperatures, which is extremely important in some applications. AlCoCrFeNi alloy is one of the most studied high-entropy alloys. Scientists often study the effect of changing the aluminum content in this alloy because it causes significant changes in phase presence and microstructure and consequently affects its hardness, ductility, and other properties. Research conducted by the authors also investigates the effect of aluminium content in AlₓCoCrFeNi alloy on its microstructure and mechanical properties. AlₓCoCrFeNi alloys were prepared by vacuum induction melting. The obtained samples were examined for chemical composition, microstructure, and microhardness. The three-point bending method was carried out to determine the bending strength, bending modulus, and conventional bending yield strength. The obtained results confirm the influence of aluminum content on the properties of AlₓCoCrFeNi alloy. Most studies on AlₓCoCrFeNi alloy focus on the determination of mechanical properties in compression or tension, much less in bending. The achieved results provide valuable information on the bending properties of AlₓCoCrFeNi alloy and lead to interesting conclusions.

Keywords: bending properties, high-entropy alloys, induction melting, microstructure

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Authors: Aliaa M. S. Salem, Soliman I. El-Hout, Amira Gaber, Hassan Nageh

Abstract:

Nowadays, the development of poisonous gas detectors is considered to be an urgent matter to secure human health and the environment from poisonous gases, in view of the fact that even a minimal amount of poisonous gas can be fatal. Of these concerns, various inorganic or organic sensing materials have been used. Among these are conducting polymers, have been used as the active material in the gassensorsdue to their low-cost,easy-controllable molding, good electrochemical properties including facile fabrication process, inherent physical properties, biocompatibility, and optical properties. Moreover, conducting polymer-based chemical sensors have an amazing advantage compared to the conventional one as structural diversity, facile functionalization, room temperature operation, and easy fabrication. However, the low selectivity and conductivity of conducting polymers motivated the doping of it with varied materials, especially graphene, to enhance the gas-sensing performance under ambient conditions. There were a number of approaches proposed for producing polymer/ graphene nanocomposites, including template-free self-assembly, hard physical template-guided synthesis, chemical, electrochemical, and electrospinning...etc. In this work, we aim to prepare a novel gas sensordepending on Electrospun nanofibers of conducting polymer/RGO composite that is the effective and efficient expectation of poisonous gases like ammonia, in different application areas such as environmental gas analysis, chemical-,automotive- and medical industries. Moreover, our ultimate objective is to maximize the sensing performance of the prepared sensor and to check its recovery properties.

Keywords: electro spinning process, conducting polymer, polyaniline, polypyrrole, polythiophene, graphene oxide, reduced graphene oxide, functionalized reduced graphene oxide, spin coating technique, gas sensors

Procedia PDF Downloads 155

Authors: Nur Suraya Anis Ahmad Bakhtiar, Hazizan Md Akil

Abstract:

In the present work, the dielectric properties of Epoxy/MWCNTs-muscovite HYBRID and MIXED composites based on ratio 30:70 were studies. The multi-wall carbon nanotubes (MWCNTs) were prepared by two method; (a) muscovite-MWCNTs hybrids were synthesized by chemical vapor deposition (CVD) and (b) physically mixing of muscovite with MWCNTs. The effect of different preparations of the composites and filler loading was evaluated. It is revealed that the dielectric constants of HYBRID epoxy composites are slightly higher compared to MIXED epoxy composites. It is also indicated that the dielectric constant increased by increases the MWCNTs filler loading.

Keywords: muscovite, epoxy, dielectric properties, hybrid composite

Procedia PDF Downloads 620

Authors: Sheila Shahidi

Abstract:

UV protection by fabrics has recently become a focus of great interest, particularly in connection with environmental degradation or ozone layer depletion. Fabrics provide simple and convenient protection against UV radiation (UVR), but not all fabrics offer sufficient UV protection. To describe the degree of UVR protection offered by clothing materials, the ultraviolet protection factor (UPF) is commonly used. UV-protective fabric can be generated by application of a chemical finish using normal wet-processing methodologies. However, traditional wet-processing techniques are known to consume large quantities of water and energy and may lead to adverse alterations of the bulk properties of the substrate. Recently, usage of plasmas to generate physicochemical surface modifications of textile substrates has become an intriguing approach to replace or enhance conventional wet-processing techniques. In this research work the effect of plasma treatment on UV protection properties of fabrics was investigated. DC magnetron sputtering was used and the parameters of plasma such as gas type, electrodes, time of exposure, power and, etc. were studied. The morphological and chemical properties of samples were analyzed using Scanning Electron Microscope (SEM) and Furrier Transform Infrared Spectroscopy (FTIR), respectively. The transmittance and UPF values of the original and plasma-treated samples were measured using a Shimadzu UV3101 PC (UV–Vis–NIR scanning spectrophotometer, 190–2, 100 nm range). It was concluded that, plasma which is an echo-friendly, cost effective and dry technique is being used in different branches of the industries, and will conquer textile industry in the near future. Also it is promising method for preparation of UV protection textile.

Keywords: fabric, plasma, textile, UV protection

Procedia PDF Downloads 497

Authors: Alan Vaško, Juraj Belan, Lenka Hurtalová, Eva Tillová

Abstract:

The aim of this study is to evaluate the influence of raw material composition on the microstructure, mechanical and fatigue properties and micromechanisms of failure of nodular cast iron. In order to evaluate the influence of charge composition, the structural analysis, mechanical and fatigue tests and micro fractographic analysis were carried out on specimens of ten melts with different charge compositions. The basic charge of individual melts was formed by a different ratio of pig iron and steel scrap and by different additive for regulation of chemical composition (silicon carbide or ferrosilicon). The results show differences in mechanical and fatigue properties, which are connected with the microstructure. SiC additive positively influences microstructure. Consequently, mechanical and fatigue properties of nodular cast iron are improved, especially in the melts with the higher ratio of steel scrap in the charge.

Keywords: nodular cast iron, silicon carbide, microstructure, mechanical properties

Procedia PDF Downloads 551

Authors: N. Benkhettoua, Y. Barkata

Abstract:

We present first-principles studies of structural and thermodynamic properties of MnNi According to the calculated total energies, by using an all-electron full-potential linear muffin–tin orbital method (FP-LMTO) within LDA and the quasi-harmonic Debye model implemented in the Gibbs program is used for the temperature effect on structural and calorific properties.

Keywords: magnetic materials, structural properties, thermodynamic properties, metallurgical and materials engineering

Procedia PDF Downloads 520

Authors: Sudhir Kumar Sharma, Ramesh Jagannathan

Abstract:

The interaction of organic and inorganic matrices of biological origin resulting in self-assembled structures with unique properties is well established. The development of such self-assembled nanostructures by synthetic and bio-inspired techniques is an established field of active research. Among bio-materials, nacre, a laminar stack of calcium carbonate nanosheets, which are interleaved with organic material, has long been focused research due to its unique mechanical properties. In this paper, we present the development of nacre-like lamellar structures made up of calcium carbonate via a wet chemical route. We used the binding affinity of carboxylate anions and calcium cations using poly (acrylic) acid (PAA) to lead CaCO₃ crystallization. In these experiments, we selected calcium acetate as the precursor molecule along with PAA (Mw ~ 8000 Da). We found that Ca⁺²/COO⁻ ratio provided a tunable control for the morphology and growth of CaCO₃ nanostructures. Drop casting one such formulation on a silicon substrate followed by calcination resulted in co-planner, molecular sheets of CaCO₃, separated by a spacer layer of carbon. The scope of our process could be expanded to produce unit cell thick molecular sheets of other important inorganic materials.

Keywords: self-assembled structures, bio-inspired materials, calcium carbonate, wet chemical route

Procedia PDF Downloads 108

Authors: E. M. AbdelRazek, G. S. ElBahy, M. A. Allam, A. M. Abdelghany, A. M. Hezma

Abstract:

Polymeric biocomposite of hydroxyapatite/polyacrylic acid were prepared and their thermal and mechanical properties were improved by addition of cellulose acetate. FTIR spectroscopy technique and X-ray diffraction analysis were employed to examine the physical and chemical characteristics of the biocomposites. Scanning electron microscopy shows a uniform distribution of HAp nano-particles through the polymeric matrix of two organic/inorganic composites weight ratios (60/40 and 70/30), at which the material crystallinity reaches a considerable value appropriate for the needed applications were studied and revealed that the HAp nano-particles are uniformly distributed in the polymeric matrix. Kinetic parameters were determined from the weight loss data using non isothermal thermogravimetric analysis (TGA). Also, the main degradation steps were described and discussed. The mechanical properties of composites were evaluated by measuring tensile strength and elastic modulus. The data indicate that the addition of cellulose acetate can make homogeneous composites scaffold significantly resistant to higher stress. Elastic modulus of the composites was also improved by the addition of cellulose acetate, making them more appropriate for bioapplications.

Keywords: biocomposite, chemical synthesis, infrared spectroscopy, mechanical properties

Procedia PDF Downloads 433