Search results for: silica fumes
380 Silica Sulfuric Acid as an Efficient Catalyst One-Pot Three-Component Aza-Friedel-Crafts Reactions of 2-(thiophen-2-yl)-1H-Indole, Aldehydes, and N-Substituted Anilines
Authors: Nagwa Mourad Abdelazeem, Marwa El-hussieny
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Multicomponent reactions (MCRs), one-pot reactions form products from more than two different starting compounds. (MCRs) are ideal reaction systems leading to high structural diversity and molecular complexity through a single transformation. (MCRs) have a lot of advantage such as higher yield, less waste generation, use of readily available starting materials and high atom. (MCRs) provide a rapid process for efficient synthesis of key structures in discovery of drug on the other hand silica sulfuric acid (SSA) has been used as an efficient heterogeneous catalyst for many organic transformations. (SSA) is low cost, ease of preparation, catalyst recycling, and ease of handling, so in this article we used 2-(thiophen-2-yl)-1H-indole, N-substituted anilines and aldehyde in the presence of silica sulfuric acid (SSA) as a catalyst in water as solvent at room temperature to prepare 3,3'-(phenylmethylene)bis(2-(thiophen-2-yl)-1H-indole) and N-methyl-4-(phenyl(2-(thiophen-2-yl)-1H-indol-3-yl)methyl)aniline derivatives Via one-pot reaction. Compound 2-(thiophen-2-yl)-1H-indole belongs to the ubiquitous class of indoles which enjoy broad synthetic, biological and industrial applications ]. Cancer is considered the first or second most common reason of death all through the world. So the synthesized compounds will be tested as anticancer. We expected the synthesized compounds will give good results comparison to the reference drug.Keywords: aldehydes, aza-friedel-crafts reaction, indole, multicomponent reaction
Procedia PDF Downloads 97379 Shock-Induced Densification in Glass Materials: A Non-Equilibrium Molecular Dynamics Study
Authors: Richard Renou, Laurent Soulard
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Lasers are widely used in glass material processing, from waveguide fabrication to channel drilling. The gradual damage of glass optics under UV lasers is also an important issue to be addressed. Glass materials (including metallic glasses) can undergo a permanent densification under laser-induced shock loading. Despite increased interest on interactions between laser and glass materials, little is known about the structural mechanisms involved under shock loading. For example, the densification process in silica glasses occurs between 8 GPa and 30 GPa. Above 30 GPa, the glass material returns to the original density after relaxation. Investigating these unusual mechanisms in silica glass will provide an overall better understanding in glass behaviour. Non-Equilibrium Molecular Dynamics simulations (NEMD) were carried out in order to gain insight on the silica glass microscopic structure under shock loading. The shock was generated by the use of a piston impacting the glass material at high velocity (from 100m/s up to 2km/s). Periodic boundary conditions were used in the directions perpendicular to the shock propagation to model an infinite system. One-dimensional shock propagations were therefore studied. Simulations were performed with the STAMP code developed by the CEA. A very specific structure is observed in a silica glass. Oxygen atoms around Silicon atoms are organized in tetrahedrons. Those tetrahedrons are linked and tend to form rings inside the structure. A significant amount of empty cavities is also observed in glass materials. In order to understand how a shock loading is impacting the overall structure, the tetrahedrons, the rings and the cavities were thoroughly analysed. An elastic behaviour was observed when the shock pressure is below 8 GPa. This is consistent with the Hugoniot Elastic Limit (HEL) of 8.8 GPa estimated experimentally for silica glasses. Behind the shock front, the ring structure and the cavity distribution are impacted. The ring volume is smaller, and most cavities disappear with increasing shock pressure. However, the tetrahedral structure is not affected. The elasticity of the glass structure is therefore related to a ring shrinking and a cavity closing. Above the HEL, the shock pressure is high enough to impact the tetrahedral structure. An increasing number of hexahedrons and octahedrons are formed with the pressure. The large rings break to form smaller ones. The cavities are however not impacted as most cavities are already closed under an elastic shock. After the material relaxation, a significant amount of hexahedrons and octahedrons is still observed, and most of the cavities remain closed. The overall ring distribution after relaxation is similar to the equilibrium distribution. The densification process is therefore related to two structural mechanisms: a change in the coordination of silicon atoms and a cavity closing. To sum up, non-equilibrium molecular dynamics were carried out to investigate silica behaviour under shock loading. Analysing the structure lead to interesting conclusions upon the elastic and the densification mechanisms in glass materials. This work will be completed with a detailed study of the mechanism occurring above 30 GPa, where no sign of densification is observed after the material relaxation.Keywords: densification, molecular dynamics simulations, shock loading, silica glass
Procedia PDF Downloads 222378 Using 3-Glycidoxypropyltrimethoxysilane Functionalized Silica Nanoparticles to Improve Flexural Properties of E-Glass/Epoxy Grid-Stiffened Composite Panels
Authors: Reza Eslami-Farsani, Hamed Khosravi, Saba Fayazzadeh
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Lightweight and efficient structures have the aim to enhance the efficiency of the components in various industries. Toward this end, composites are one of the most widely used materials because of durability, high strength and modulus, and low weight. One type of the advanced composites is grid-stiffened composite (GSC) structures which have been extensively considered in aerospace, automotive, and aircraft industries. They are one of the top candidates for replacing some of the traditional components which are used here. Although there are a good number of published surveys on the design aspects and fabrication of GSC structures, little systematic work has been reported on their material modification to improve their properties, to our knowledge. Matrix modification using nanoparticles is an effective method to enhance the flexural properties of the fibrous composites. In the present study, a silane coupling agent (3-glycidoxypropyltrimethoxysilane/3-GPTS) was introduced onto the silica (SiO2) nanoparticle surface and its effects on the three-point flexural response of isogrid E-glass/epoxy composites were assessed. Based on the fourier transform infrared spectrometer (FTIR) spectra, it was inferred that the 3-GPTS coupling agent was successfully grafted onto the surface of SiO2 nanoparticles after modification. Flexural test revealed an improvement of 16%, 14%, and 36% in stiffness, maximum load and energy absorption of the isogrid specimen filled with 3 wt.% 3-GPTS/SiO2 compared to the neat one. It would be worth mentioning that in these structures, a considerable energy absorption was observed after the primary failure related to the load peak. Also, 3-GPTMS functionalization had a positive effect on the flexural behavior of the multiscale isogrid composites. In conclusion, this study suggests that the addition of modified silica nanoparticles is a promising method to improve the flexural properties of the grid-stiffened fibrous composite structures.Keywords: isogrid-stiffened composite panels, silica nanoparticles, surface modification, flexural properties, energy absorption
Procedia PDF Downloads 248377 Obtaining the Hydraulic Concrete Resistant to the Aggressive Environment by Using Admixtures
Authors: N. Tabatadze
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The research aim is to study the physical and mechanical characteristics of hydraulic concrete in the surface active environment. The specific goal is to obtain high strength and low deformable concrete based on nano additives, resistant to the aggressive environment. As result of research, the alkali-silica reaction was improved (relative elongation 0,122 % of admixture instead of 0,126 % of basic concrete after 14 days). The aggressive environment impact on the strength of heavy concrete, fabricated on the basis of the hydraulic admixture with the penetrating waterproof additives also was improved (strength on compression R28=47,5 mPa of admixture instead of R28=35,8 mPa). Moreover, water absorption (W=0,59 % of admixture instead of W=1,41 %), water tightness (R14=37,9 mPa instead R14=28,7 mPa) and water-resistance (B=18 instead B=12). The basic parameters of concrete with admixture was improved in comparison with basic concrete.Keywords: hydraulic concrete, alkali-silica reaction, water absorption, water-resistance
Procedia PDF Downloads 350376 Corrosion Behavior of Organic-Inorganic Hybrid Coatings Fabricated by Electrostatic Method
Authors: Mohammed Ahmed, Ziba Nazarlou
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Mild steels have a limited alloying content which makes them vulnerable to excessive corrosion rates in the harsh medium. To overcome this issue, some protective coatings are used to prevent corrosion on the steel surface. The use of specialized coatings, mainly organic coatings (such as epoxies, polyurethanes, and acrylics) and inorganic coatings (such as Polysiloxanes) is the most common method of mitigating corrosion of carbon steel. Incorporating the benefits of organic and inorganic hybrid (OIH) compounds for the designing of hybrid protective coatings is still challenging for industrial applications. There are advantages of inorganic coatings have, but purely inorganic siloxane-based coatings are difficult to use on industrial applications unless they are used at extremely low thicknesses (< 1-2 microns). Hence, most industrial applications try to have a combination of Polysiloxanes with organic compounds. A hybrid coating possesses an organic section, which transports flexibility and impact resistance, and an inorganic section, which usually helps in the decreasing of porosity and increasing thermal stability and hardness. A number of polymers including polyethylene glycol and polyvinyl pyrrolidone have been reported to inhibit the corrosion mild steel in acidic media. However, reports on the effect of polyethylene oxide (PEO) or its blends on corrosion inhibition of metals is very scarce. Different composition of OIH coatings was synthesized by using silica sol-gel, epoxy, and PEO. The effect of different coating types on the corrosion behavior of carbon steel in harsh solution has been studied by weight loss and electrochemical measurements using Gamry 1000 Interface Potentiostat. Coating structures were investigated by SEM. İt revealed a considerable reduction in corrosion rate for coated sample. Based on these results, OIH coating prepared by epoxy-silica sol gel-PEO and epoxy-silica sol-gel exhibit had a %99.5 and %98 reduction of (Corrosion rate) CR compares to baseline. Cathodic Tafel constant (βc) shows that coatings change both Tafel constants but had more effect on the cathodic process. The evolution of the Potentiostatic scan with time displays stability in potential, some of them in a high value while the other in a low value which can be attributed to the formation of an oxide film covering substrate surface. The coated samples with the group of epoxy coating have a lower potential along with the time test, while the silica group shows higher in potential with respect to time.Keywords: electrostatic, hybrid coating, corrosion tests, silica sol gel
Procedia PDF Downloads 118375 Magnetic Solid-Phase Separation of Uranium from Aqueous Solution Using High Capacity Diethylenetriamine Tethered Magnetic Adsorbents
Authors: Amesh P, Suneesh A S, Venkatesan K A
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The magnetic solid-phase extraction is a relatively new method among the other solid-phase extraction techniques for the separating of metal ions from aqueous solutions, such as mine water and groundwater, contaminated wastes, etc. However, the bare magnetic particles (Fe3O4) exhibit poor selectivity due to the absence of target-specific functional groups for sequestering the metal ions. The selectivity of these magnetic particles can be remarkably improved by covalently tethering the task-specific ligands on magnetic surfaces. The magnetic particles offer a number of advantages such as quick phase separation aided by the external magnetic field. As a result, the solid adsorbent can be prepared with the particle size ranging from a few micrometers to the nanometer, which again offers the advantages such as enhanced kinetics of extraction, higher extraction capacity, etc. Conventionally, the magnetite (Fe3O4) particles were prepared by the hydrolysis and co-precipitation of ferrous and ferric salts in aqueous ammonia solution. Since the covalent linking of task-specific functionalities on Fe3O4 was difficult, and it is also susceptible to redox reaction in the presence of acid or alkali, it is necessary to modify the surface of Fe3O4 by silica coating. This silica coating is usually carried out by hydrolysis and condensation of tetraethyl orthosilicate over the surface of magnetite to yield a thin layer of silica-coated magnetite particles. Since the silica-coated magnetite particles amenable for further surface modification, it can be reacted with task-specific functional groups to obtain the functionalized magnetic particles. The surface area exhibited by such magnetic particles usually falls in the range of 50 to 150 m2.g-1, which offer advantage such as quick phase separation, as compared to the other solid-phase extraction systems. In addition, the magnetic (Fe3O4) particles covalently linked on mesoporous silica matrix (MCM-41) and task-specific ligands offer further advantages in terms of extraction kinetics, high stability, longer reusable cycles, and metal extraction capacity, due to the large surface area, ample porosity and enhanced number of functional groups per unit area on these adsorbents. In view of this, the present paper deals with the synthesis of uranium specific diethylenetriamine ligand (DETA) ligand anchored on silica-coated magnetite (Fe-DETA) as well as on magnetic mesoporous silica (MCM-Fe-DETA) and studies on the extraction of uranium from aqueous solution spiked with uranium to mimic the mine water or groundwater contaminated with uranium. The synthesized solid-phase adsorbents were characterized by FT-IR, Raman, TG-DTA, XRD, and SEM. The extraction behavior of uranium on the solid-phase was studied under several conditions like the effect of pH, initial concentration of uranium, rate of extraction and its variation with pH and initial concentration of uranium, effect of interference ions like CO32-, Na+, Fe+2, Ni+2, and Cr+3, etc. The maximum extraction capacity of 233 mg.g-1 was obtained for Fe-DETA, and a huge capacity of 1047 mg.g-1 was obtained for MCM-Fe-DETA. The mechanism of extraction, speciation of uranium, extraction studies, reusability, and the other results obtained in the present study suggests Fe-DETA and MCM-Fe-DETA are the potential candidates for the extraction of uranium from mine water, and groundwater.Keywords: diethylenetriamine, magnetic mesoporous silica, magnetic solid-phase extraction, uranium extraction, wastewater treatment
Procedia PDF Downloads 168374 Some Investigations of Primary Slurry Used for Production of Ceramic Shells
Authors: Balwinder Singh
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In the current competitive environment, casting industry has several challenges such as production of intricate castings, near net shape castings, decrease lead-time from product design to production, improved casting quality and to control costs. The raw materials used to make ceramic shell play an important role in determining the overall final ceramic shell characteristics. In this work, primary slurries were formulated using various combinations of zircon flour, fused silica and aluminosilicate powders as filler, colloidal silica as binder along with wetting and antifoaming agents (Catalyst). Taguchi’s parameter design strategy has been applied to investigate the effect of primary slurry parameters on the viscosity of the slurry and primary coating of shell. The result reveals that primary coating with low viscosity slurry has produced a rough surface of the shell due to stucco penetration.Keywords: ceramic shell, primary slurry, filler, slurry viscosity, surface roughness
Procedia PDF Downloads 475373 Synthesis of a Hybrid Material (PVA/SiO₂/TiO₂) by Sol-Gel Method
Authors: Gueridi Bachir, Dadache Derradji, Rouabah Farid
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This work is focused on the preparation and characterization of poly (vinyl alcohol)/silica gel/Nano-TiO₂, and the study of titanium dioxide (TiO₂) nanoparticles 1% on the properties of poly (vinyl alcohol) (PVA)/silica films. Fourier transform infrared (FT-IR), water contact angle, ultraviolet-visible spectrometry (UV-VIS)) were used to characterize the hybrid films obtained. The PVA/SiO₂/Nano-TiO₂ films were successfully synthesized. Owing to the FT-IR Analysis, the chemical bonds have clearly shown that the PVA backbone is linked to the (SiO₂-TiO₂) network. UV-VIS tests indicated that the hybrid films' UV shielding properties were drastically enhanced as a result of the addition of TiO₂. The water contact angle results revealed that TiO₂ nanoparticles used as a doping compound possess an important influence on the hydrophilicity of PVA/SiO₂ as thin films.Keywords: sol-gel method, hybrid materials, PVA/SIO₂/TiO₂, spectroscopical characterization
Procedia PDF Downloads 12372 Experimental Investigation on High Performance Concrete with Silica Fume and Ceramic Waste
Authors: P. Vinayagam, A. Madhanagopal
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This experimental investigation focuses on the study of the strength of concrete with ceramic waste as coarse aggregate. It is not a new concept of using alternate materials for aggregates. Pottery and ceramics have been an important part of human culture for thousands of years. The ceramic waste from ceramic and construction industries is a major contribution to construction demolition waste (CDW), representing a serious environmental, technical, and economical problem of today’s society. The major sources of ceramic waste are ceramic industry, building construction and building demolition. In ceramic industries, a significant part of the losses in the manufacturing of ceramic elements is not returned to the production process. In building construction, ceramic waste is produced during transportation to the building site, on the execution of several construction elements and on subsequent works. This waste is regionally deposited in dumping grounds, without any separation or reuse. In this study an attempt has been made to find the suitability of the ceramic industrial wastes as a possible replacement for conventional crushed stone coarse aggregate in high performance concrete. In this study, glazed stoneware pipe waste was used as coarse aggregates. In this investigation, physical properties of ceramic waste coarse aggregates were studied. Experiments were carried out to determine the strength of high performance concrete with silica fume and ceramic stoneware pipe waste coarse aggregate of 10%, 20%, 30%, 40% and 50% different replacement ratios in comparison with those of corresponding conventional concrete mixes.Keywords: ceramic waste, coarse aggregate replacement, glazed stoneware pipe waste, silica fume
Procedia PDF Downloads 288371 Changes in Serum Neopterin in Workers Exposed to Different Mineral Dust
Authors: Gospodinka Prakova, Pavlina Gidikova, Gergana Sandeva, Kamelia Haracherova, Emil Slavov
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Neopterin was demonstrated to be a sensitive marker of cell-mediated immune reactions which plays a key role in the interaction of monocyte / macrophage activation. The purpose of this work was to investigate changes in serum neopterin in workers exposed to different composition of mineral dust. Material and Methods: Serum neopterin was studied in 193 exposed workers, divided into three groups, depending on the mineral dust and content of the quartz in the respirable fraction. The I-st group-coal dust containing less than 2% free crystalline silica (n=44), II-nd group-coal dust containing over 2% free crystalline silica (n=94) and the III-rd group-mixed dust with corundum and carborundum (n=55). The control group was composed of 21 individuals without exposure to dust. Serum neopterin was investigated by Elisa method in ng/ml according to the instructions of the manufacturer. Results and Discussion: It was found significantly higher level of serum neopterin in exposed workers of mineral dust (2,10 ± 0,62 ng / ml), compared with that of the control group (1,10 ± 0,85 ng/ml; p < 0,05). Neopterin levels in workers exposed to coal dust (1,87 ± 0,42 ng / ml-I-st and 3,32 ± 0,77 ng / ml-II-nd group) were significantly higher compared with those exposed to a mixed dust (1,31±0,68 mg / ml-third) and control group (p < 0,05). No significant difference in serum neopterin when exposed to a mixed dust composed of corundum and carborundum (III-rd) and a control group. Conclusion: The results of this study indicate activates a cell-mediated immune response when exposed to a mineral dust. The level of that activation depends mainly on the composition of the dust and is significantly highest in workers exposed to coal dust.Keywords: mineral dust, neopterin, occupational exposure, respirable crystalline silica
Procedia PDF Downloads 266370 Physical Contact Modulation of Macrophage-Mediated Anti-Inflammatory Response in Osteoimmune Microenvironment by Pollen-Like Nanoparticles
Authors: Qing Zhang, Janak L. Pathak, Macro N. Helder, Richard T. Jaspers, Yin Xiao
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Introduction: Nanomaterial-based bone regeneration is greatly influenced by the immune microenvironment. Tissue-engineered nanomaterials mediate the inflammatory response of macrophages to regulate bone regeneration. Silica nanoparticles have been widely used in tissue engineering-related preclinical studies. However, the effect of topological features on the surface of silica nanoparticles on the immune response of macrophages remains unknown. Purposes: The aims of this research are to compare the influences of normal and pollen-like silica nano-surface topography on macrophage immune responses and to obtain insight into their potential regulatory mechanisms. Method: Macrophages (RAW 264.7 cells) were exposed to mesoporous silica nanoparticles with normal morphology (MSNs) and pollen-like morphology (PMSNs). RNA-seq, RT-qPCR, and LSCM were used to assess the changes in expression levels of immune response-related genes and proteins. SEM and TEM were executed to evaluate the contact and adherence of silica nanoparticles by macrophages. For the assessment of the immunomodulation-mediated osteogenic potential, BMSCs were cultured with conditioned medium (CM) from LPS pre-stimulated macrophage cultures treated with MSNs or PMSNs. Osteoimmunomodulatory potential of MSNs and PMSNs in vivo was tested in a mouse cranial bone osteolysis model. Results: The results of the RNA-seq, RT-qPCR, and LSCM assays showed that PMSNs inhibited the expression of pro-inflammatory genes and proteins in macrophages. SEM images showed distinct macrophage membrane surface binding patterns of MSNs and PMSNs. MSNs were more evenly dispersed across the macrophage cell membrane, while PMSNs were aggregated. PMSNs-induced macrophage anti-inflammatory response was associated with upregulation of the cell surface receptor CD28 and inhibition of ERK phosphorylation. TEM images showed that both MSNs and PMSNs could be phagocytosed by macrophages, and inhibiting nanoparticle phagocytosis did not affect the expression of anti-inflammatory genes and proteins. Moreover, PMSNs-induced conditioned medium from macrophages enhanced BMP-2 expression and osteogenic differentiation mBMSCs. Similarly, PMSNs prevented LPS-induced bone resorption via downregulation of inflammatory reaction. Conclusions: PMSNs can promote bone regeneration by modulating osteoimmunological processes through surface topography. The study offers insights into how surface physical contact cues can modulate the regulation of osteoimmunology and provides a basis for the application of nanoparticles with pollen-like morphology to affect immunomodulation in bone tissue engineering and regeneration.Keywords: physical contact, osteoimmunology, macrophages, silica nanoparticles, surface morphology, membrane receptor, osteogenesis, inflammation
Procedia PDF Downloads 61369 Stabilization of Transition Metal Chromite Nanoparticles in Silica Matrix
Authors: J. Plocek, P. Holec, S. Kubickova, B. Pacakova, I. Matulkova, A. Mantlikova, I. Němec, D. Niznansky, J. Vejpravova
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This article presents summary on preparation and characterization of zinc, copper, cadmium and cobalt chromite nano crystals, embedded in an amorphous silica matrix. The ZnCr2O4/SiO2, CuCr2O4/SiO2, CdCr2O4/SiO2 and CoCr2O4/SiO2 nano composites were prepared by a conventional sol-gel method under acid catalysis. Final heat treatment of the samples was carried out at temperatures in the range of 900–1200 °C to adjust the phase composition and the crystallite size, respectively. The resulting samples were characterized by Powder X-ray diffraction (PXRD), High Resolution Transmission Electron Microscopy (HRTEM), Raman/FTIR spectroscopy and magnetic measurements. Formation of the spinel phase was confirmed in all samples. The average size of the nano crystals was determined from the PXRD data and by direct particle size observation on HRTEM; both results were correlated. The mean particle size (reviewed by HRTEM) was in the range from ~ 4 to 46 nm. The results showed that the sol-gel method can be effectively used for preparation of the spinel chromite nano particles embedded in the silica matrix and the particle size is driven by the type of the cation A2+ in the spinel structure and the temperature of the final heat treatment. Magnetic properties of the nano crystals were found to be just moderately modified in comparison to the bulk phases.Keywords: sol-gel method, nanocomposites, Rietveld refinement, Raman spectroscopy, Fourier transform infrared spectroscopy, magnetic properties, spinel, chromite
Procedia PDF Downloads 216368 Mitigating the Aggregation of Human Islet Amyloid Polypeptide with Nanomaterials
Authors: Ava Faridi, Pouya Faridi, Aleksandr Kakinen, Ibrahim Javed, Thomas P. Davis, Pu Chun Ke
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Human islet amyloid polypeptide (IAPP) is a hormone associated with glycemic control and type 2 diabetes. Biophysically, the chirality of IAPP fibrils has been little explored with respect to the aggregation and toxicity of the peptide. Biochemically, it remains unclear as for how protein expression in pancreatic beta cells may be altered by cell exposure to the peptide, and how such changes may be mitigated by nanoparticle inhibitors for IAPP aggregation. In this study, we first demonstrated the elimination of the IAPP nucleation phase and shortening of its elongation phase by silica nanoribbons. This accelerated IAPP fibrillization translated to reduced toxicity, especially for the right-handed silica nanoribbons, as revealed by cell viability, helium ion microscopy, as well as zebrafish embryo survival, developmental and behavioral assays. We then examined the proteomes of βTC6 pancreatic beta cells exposed to the three main aggregation states of monomeric, oligomeric and amyloid fibrillar IAPP, and compared that with cellular protein expression modulated by graphene quantum dots (GQDs). A total of 29 proteins were significantly regulated by different forms of IAPP, and the majority of these proteins were nucleotide-binding proteins. A regulatory capacity of GQDs against aberrant protein expression was confirmed. These studies have demonstrated the great potential of employing nanomaterials targeting the mesoscopic enantioselectivity and protein expression dysregulation in pancreatic beta cells.Keywords: graphene quantum dots, IAPP, silica nanoribbons, protein expression, toxicity
Procedia PDF Downloads 142367 Synthesis and Characterization of Iron Modified Geopolymer and Its Resistance against Chloride and Sulphate
Authors: Noor-ul-Amin, Lubna Nawab, Sabiha Sultana
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Geopolymer with different silica to alumina ratio with iron have been synthesized using sodium silicate, aluminum, and iron salts as a source of silica, alumina and iron source, and sodium/potassium hydroxide as an alkaline medium. The iron source will be taken from iron (III) salts and laterite clay samples. Laterite has been used as a natural source of iron in modified geopolymer. The synthesized iron modified geopolymer was submitted to the different aggressive environment, including chloride and sulphate solutions in different concentration. Different experimental techniques, including XRF, XRD, and FTIR, were used to study the bonding nature and effect of aggressive environment on geopolymer. The major phases formed during geopolymerization are sodalite (Na₄Al₃Si₃O₁₂Cl), albite (NaAlSi₃O₈), hematite (Fe₂O₃), and chabazite as confirmed from the XRD results. The resulting geopolymer showed greater resistance to sulphate and chloride as compared to the normal geopolymer.Keywords: modified geopolymer, laterite, chloride, sulphate
Procedia PDF Downloads 156366 Magnetic Silica Nanoparticles as Viable Support for the Immobilization of Oxidative Enzymes
Authors: Y. Moldes-Diz, M. Gamallo, G. Eibes, C. Vazquez-Vazquez, G. Feijoo, J. M. Lema, M. T. Moreira
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Laccases (benzenediol oxygen oxidoreductases, EC 1.10.3.2) are excellent biocatalysts for biotechnological and environmental applications because of their high activity, selectivity, and specificity. Specifically, these characteristics allow them to perform the oxidation of recalcitrant compounds with simple requirements for the catalysis (presence of molecular oxygen). Nevertheless, the low stability under unfavorable conditions (pH, inactivating agents or temperature) and high production costs still limits their use for practical applications. Immobilization of enzymes has proven particularly valuable to avoid some of the aforementioned drawbacks. Magnetic nanoparticles (MNPs) have received increasing attention as carriers for enzyme immobilization since they can potentially provide an easy recovery of the biocatalyst from the reaction medium under an external magnetic field. In the present work, silica-coated magnetic nanoparticles (Fe3O4@SiO2) were prepared, characterized and used for laccase immobilization by covalent binding. The synthesis of Fe3O4@SiO2 was performed in a two-step procedure: co-precipitation and reverse microemulsion. The influence of immobilization conditions: concentrations of the functionalization agent (3-aminopropyl-triethoxy-silane) and the cross-linker (glutaraldehyde) as well as the influence of pH, T or inactivating agents were evaluated. In general, immobilized laccase showed superior stability compared to that of free enzyme. The reusability of the biocatalyst was demonstrated in successive batch reactions, where enzyme activity was maintained above 65% after 8 cycles of oxidation of the substrate 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonate).Keywords: silica-coated magnetic nanoparticles, laccase, immobilization, regeneration
Procedia PDF Downloads 218365 The Preparation of 2H-Indazolo [2, 1-b] Phthalazinetriones by One-Pot 4,4ʹ-Bipyridinium Dichloride Ordered Mesoporous Silica
Authors: Aigin Bashti
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Preparation of multicomponent reactions (MCRs) via a simple one-pot strategy is considered a novel procedure which has attracted a lot of interest from organic and medicinal chemists. Due to the great importance of phthalazide triones, it was decided to introduce a novel and cost-effective green procedure for the preparation of these derivatives. In this methodology, an efficient 4,4ʹ-Bipyridinium Dichloride Ordered Mesoporous Silica functionalized catalyst (BP-SBA-15) was utilized. The catalyst was characterized by X-ray diffraction analysis (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), thermo-gravimetric analysis (TGA), and Fourier-transform infrared spectroscopy (FT-IR) analysis. In conclusion, it should be mentioned that this methodology has some advantages, including short reaction time, high yield of the products, recyclable catalyst, green procedure, and facile work-up procedure. The catalyst was successfully utilized for the one-pot preparation of various phthalazinetrione derivatives.Keywords: dimedone, green procedure, multicomponent reactions, phthalhydrazide
Procedia PDF Downloads 99364 Water-Repellent Coating Based on Thermoplastic Polyurethane, Silica Nanoparticles and Graphene Nanoplatelets
Authors: S. Naderizadeh, A. Athanassiou, I. S. Bayer
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This work describes a layer-by-layer spraying method to produce a non-wetting coating, based on thermoplastic polyurethane (TPU) and silica nanoparticles (Si-NPs). The main purpose of this work was to transform a hydrophilic polymer to superhydrophobic coating. The contact angle of pure TPU was measured about 77˚ ± 2, and water droplets did not roll away upon tilting even at 90°. But after applying a layer of Si-NPs on top of this, not only the contact angle increased to 165˚ ± 2, but also water droplets can roll away even below 5˚ tilting. The most important restriction in this study was the weak interfacial adhesion between polymer and nanoparticles, which had a bad effect on durability of the coatings. To overcome this problem, we used a very thin layer of graphene nanoplatelets (GNPs) as an interlayer between TPU and Si-NPs layers, followed by thermal treatment at 150˚C. The sample’s morphology and topography were characterized by scanning electron microscopy (SEM), EDX analysis and atomic force microscopy (AFM). It was observed that Si-NPs embedded into the polymer phase in the presence of GNPs layer. It is probably because of the high surface area and considerable thermal conductivity of the graphene platelets. The contact angle value for the sample containing graphene decreased a little bit respected to the coating without graphene and reached to 156.4˚ ± 2, due to the depletion of the surface roughness. The durability of the coatings against abrasion was evaluated by Taber® abrasion test, and it was observed that superhydrophobicity of the coatings remains for a longer time, in the presence of GNPs layer. Due to the simple fabrication method and good durability of the coating, this coating can be used as a durable superhydrophobic coating for metals and can be produced in large scale.Keywords: graphene, silica nanoparticles, superhydrophobicity, thermoplastic polyurethane
Procedia PDF Downloads 186363 Adsorption of Acetone Vapors by SBA-16 and MCM-48 Synthesized from Rice Husk Ash
Authors: Wanting Zeng, Hsunling Bai
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Silica was extracted from agriculture waste rice husk ash (RHA) and was used as the silica source for synthesis of RMCM-48 and RSBA-16. An alkali fusion process was utilized to separate silicate supernatant and the sediment effectively. The CTAB/Si and F127/Si molar ratio was employed to control the structure properties of the obtained RMCM-48 and RSBA-16 materials. The N2 adsorption-desorption results showed the micro-mesoporous RSBA-16 possessed high specific surface areas (662-1001 m2/g). All the obtained RSBA-16 materials were applied as the adsorbents for acetone adsorption. And the breakthrough tests clearly revealed that the RSBA-16(0.004) materials could achieve the highest acetone adsorption capacity of 186 mg/g under 1000 ppmv acetone vapor concentration at 25oC, which was also superior to ZSM-5 (71mg/g) and MCM-41 (157mg/g) under same test conditions. This can help to reduce the solid waste and the high adsorption performance of the obtained materials could consider as potential adsorbents for acetone adsorption.Keywords: acetone, adsorption, micro-mesoporous material, rice husk ash (RHA), RSBA-16
Procedia PDF Downloads 342362 Drying Shrinkage of Magnesium Silicate Hydrate Gel Cements
Authors: T. Zhang, X. Liang, M. Lorin, C. Cheeseman, L. J. Vandeperre
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Cracks were observed when the magnesium silicate hydrate gel cement (prepared by 40% MgO/ 60% silica fume) was dried. This drying cracking is believed to be caused when unbound water evaporates from the binder. The shrinkage upon forced drying to 200 °C of mortars made up from a reactive magnesium oxide, silica fume and sand was measured using dilatometry. The magnitude of the drying shrinkage was found to decrease when more sand or less water was added to the mortars and can be as low as 0.16% for a mortar containing 60 wt% sand and a water to cement ratio of 0.5, which is of a similar order of magnitude as observed in Portland cement based mortars and concretes. A simple geometrical interpretation based on packing of the particles in the mortar can explain the observed drying shrinkages and based on this analysis the drying shrinkage of the hydration products at zero added solid is estimated to be 7.3% after 7 days of curing.Keywords: magnesium silicate hydrate, shrinkage, dilatometry, gel cements
Procedia PDF Downloads 308361 Influence of Silica Surface Hydrophilicity on Adsorbed Water and Isopropanol Studied by in-situ NMR
Authors: Hyung T. Kwak, Jun Gao, Yao An, Alfred Kleinhammes, Yue Wu
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Surface wettability is a crucial factor in oil recovery. In oil industry, the rock wettability involves the interplay between water, oil, and solid surface. Therefore, studying the interplay between adsorptions of water and hydrocarbon molecules on solid surface would be very informative for understanding rock wettability. Here we use the in-situ Nuclear Magnetic Resonance (NMR) gas isotherm technique to study competitive adsorptions of water and isopropanol, an intermediate step from hydrocarbons. This in-situ NMR technique obtains information on thermodynamic properties such as the isotherm, molecular dynamics via spin relaxation measurements, and adsorption kinetics such as how fast the system can reach thermal equilibrium after changes of vapor pressures. Using surfaces of silica glass beads, which can be modified from hydrophilic to hydrophobic, we obtained information on the influence of surface hydrophilicity on the state of surface water via obtained thermodynamic and dynamic properties.Keywords: Wettability, NMR, Gas Isotherm, Hydrophilicity, adsorption
Procedia PDF Downloads 179360 Effect of Chilling on Soundness, Micro Hardness, Ultimate Tensile Strength, and Corrosion Behavior of Nickel Alloy-Fused Silica Metal Matrix Composite
Authors: G. Purushotham, Joel Hemanth
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An investigation has been carried out to fabricate and evaluate the strength and soundness of chilled composites consisting of nickel matrix and fused silica particles (size 40–150 μm) in the matrix. The dispersoid added ranged from 3 to 12 wt. % in steps of 3%. The resulting composites cast in moulds containing metallic and non-metallic chill blocks (MS, SiC, and Cu) were tested for their microstructure and mechanical properties. The main objective of the present research is to obtain fine grain Ni/SiO2 chilled sound composite having very good mechanical properties. Results of the investigation reveal the following: (1) Strength of the composite developed is highly dependent on the location of the casting from where the test specimens are taken and also on the dispersoid content of the composite. (2) Chill thickness and chill material, however, does significantly affect the strength and soundness of the composite. (3) Soundness of the composite developed is highly dependent on the chilling rate as well as the dispersoid content. An introduction of chilling and increase in the dispersoid content of the material both result in an increase in the ultimate tensile strength (UTS) of the material. The temperature gradient developed during solidification and volumetric heat capacity (VHC) of the chill used is the important parameters controlling the soundness of the composite. (4) Thermal properties of the end chills are used to determine the magnitude of the temperature gradient developed along the length of the casting solidifying under the influence of chills.Keywords: metal matrix composite, mechanical properties, corrosion behavior, nickel alloy, fused silica, chills
Procedia PDF Downloads 398359 A Novel Method to Manufacture Superhydrophobic and Insulating Polyester Nanofibers via a Meso-Porous Aerogel Powder
Authors: Z. Mazrouei-Sebdani, A. Khoddami, H. Hadadzadeh, M. Zarrebini
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Silica aerogels are well-known meso-porous materials with high specific surface area (500–1000 m2/g), high porosity (80–99.8%), and low density (0.003–0.8 g/cm3). However, the silica aerogels generally are highly brittle due to their nanoporous nature. Physical and mechanical properties of the silica aerogels can be enhanced by compounding with the fibers. Although some reports presented incorporation of the fibers into the sol, followed by further modification and drying stages, no information regarding the aerogel powders as filler in the polymeric fibers is available. In this research, waterglass based aerogel powder was prepared in the following steps: sol–gel process to prepare a gel, followed by subsequent washing with propan-2-ol, n-Hexane, and TMCS, then ambient pressure drying, and ball milling. Inspired by limited dust releasing, aerogel powder was introduced to the PET electrospinning solution in an attempt to create required bulk and surface structure for the nano fibers to improve their hydrophobic and insulation properties. The samples evaluation was carried out by measuring density, porosity, contact angle, sliding angle, heat transfer, FTIR, BET and SEM. According to the results, porous silica aerogel powder was fabricated with mean pore diameter of 24 nm and contact angle of 145.9º. The results indicated the usefulness of the aerogel powder confined into nano fibers to control surface roughness for manipulating superhydrophobic nanowebs with sliding angle of 5˚ and water contact angle of 147º. It can be due to a multi-scale surface roughness which was created by nanowebs structure itself and nano fibers surface irregularity in presence of the aerogels while a laye of fluorocarbon created low surface energy. The wettability of a solid substrate is an important property that is controlled by both the chemical composition and geometry of the surface. Also, a decreasing trend in the heat transfer was observed from 22% for the nano fibers without any aerogel powder to 8% for the nano fibers with 4% aerogel powder. The development of thermal insulating materials has become increasingly more important than ever in view of the fossil energy depletion and global warming that call for more demanding energy-saving practices.Keywords: Superhydrophobicity, Insulation, Sol-gel, Surface energy, Roughness.
Procedia PDF Downloads 326358 The Optimization of Topical Antineoplastic Therapy Using Controlled Release Systems Based on Amino-functionalized Mesoporous Silica
Authors: Lacramioara Ochiuz, Aurelia Vasile, Iulian Stoleriu, Cristina Ghiciuc, Maria Ignat
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Topical administration of chemotherapeutic agents (eg. carmustine, bexarotene, mechlorethamine etc.) in local treatment of cutaneous T-cell lymphoma (CTCL) is accompanied by multiple side effects, such as contact hypersensitivity, pruritus, skin atrophy or even secondary malignancies. A known method of reducing the side effects of anticancer agent is the development of modified drug release systems using drug incapsulation in biocompatible nanoporous inorganic matrices, such as mesoporous MCM-41 silica. Mesoporous MCM-41 silica is characterized by large specific surface, high pore volume, uniform porosity, and stable dispersion in aqueous medium, excellent biocompatibility, in vivo biodegradability and capacity to be functionalized with different organic groups. Therefore, MCM-41 is an attractive candidate for a wide range of biomedical applications, such as controlled drug release, bone regeneration, protein immobilization, enzymes, etc. The main advantage of this material lies in its ability to host a large amount of the active substance in uniform pore system with adjustable size in a mesoscopic range. Silanol groups allow surface controlled functionalization leading to control of drug loading and release. This study shows (I) the amino-grafting optimization of mesoporous MCM-41 silica matrix by means of co-condensation during synthesis and post-synthesis using APTES (3-aminopropyltriethoxysilane); (ii) loading the therapeutic agent (carmustine) obtaining a modified drug release systems; (iii) determining the profile of in vitro carmustine release from these systems; (iv) assessment of carmustine release kinetics by fitting on four mathematical models. Obtained powders have been described in terms of structure, texture, morphology thermogravimetric analysis. The concentration of the therapeutic agent in the dissolution medium has been determined by HPLC method. In vitro dissolution tests have been done using cell Enhancer in a 12 hours interval. Analysis of carmustine release kinetics from mesoporous systems was made by fitting to zero-order model, first-order model Higuchi model and Korsmeyer-Peppas model, respectively. Results showed that both types of highly ordered mesoporous silica (amino grafted by co-condensation process or post-synthesis) are thermally stable in aqueous medium. In what regards the degree of loading and efficiency of loading with the therapeutic agent, there has been noticed an increase of around 10% in case of co-condensation method application. This result shows that direct co-condensation leads to even distribution of amino groups on the pore walls while in case of post-synthesis grafting many amino groups are concentrated near the pore opening and/or on external surface. In vitro dissolution tests showed an extended carmustine release (more than 86% m/m) both from systems based on silica functionalized directly by co-condensation and after synthesis. Assessment of carmustine release kinetics revealed a release through diffusion from all studied systems as a result of fitting to Higuchi model. The results of this study proved that amino-functionalized mesoporous silica may be used as a matrix for optimizing the anti-cancer topical therapy by loading carmustine and developing prolonged-release systems.Keywords: carmustine, silica, controlled, release
Procedia PDF Downloads 264357 Effect of the Support Shape on Fischer-Tropsch Cobalt Catalyst Performance
Authors: Jian Huang, Weixin Qian, Hongfang Ma, Haitao Zhang, Weiyong Ying
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Cobalt catalysts were supported on extruded silica carrier and different-type (SiO2, γ-Al2O3) commercial supports with different shapes and sizes to produce heavy hydrocarbons for Fischer-Tropsch synthesis. The catalysts were characterized by N2 physisorption and H2-TPR. The catalytic performance of the catalysts was tested in a fixed bed reactor. The results of Fischer-Tropsch synthesis performance showed that the cobalt catalyst supported on spherical silica supports displayed a higher activity and a higher selectivity to C5+ products, due to the fact that the active components were only distributed in the surface layer of spherical carrier, and the influence of gas diffusion restriction on catalytic performance was weakened. Therefore, it can be concluded that the eggshell cobalt catalyst was superior to precious metals modified catalysts in the synthesis of heavy hydrocarbons.Keywords: fischer-tropsch synthesis, cobalt catalyst, support shape, heavy hydrocarbons
Procedia PDF Downloads 283356 Non-Adiabatic Silica Microfibre Sensor for BOD/COD Ratio Measurement
Authors: S. S. Chong, A. R. Abdul Aziz, S. W. Harun, H. Arof
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A miniaturized non-adiabatic silica microfiber is proposed for biological oxygen demand (BOD) ratio chemical oxygen demand (COD) sensing for the first time. BOD and COD are two main parameters to justify quality of wastewater. A ratio, BOD:COD can usually be established between the two analytical methods once COD and BOD value has been gathered. This ratio plays a vital role to determine appropriate strategy in wastewater treatment. A non-adiabatic microfiber sensor was formed by tapering the SMF to generate evanescent field where sensitive to perturbation of sensing medium. Because difference ratio BOD and COD contain in solution, this may induced changes of effective refractive index between microfiber and sensing medium. Attenuation wavelength shift to right with 0.5 nm and 3.5 nm while BOD:COD equal to 0.09 and 0.18 respectively. Significance difference wavelength shift may relate with the biodegradability of analyte. This proposed sensor is compact, reliable and feasible to determine the BOD:COD. Further research and investigation should be proceeded to enhance sensitivity and precision of the sensor for several of wastewater online monitoring.Keywords: non-adiabatic fiber sensor, environmental sensing, biodegradability, evanescent field
Procedia PDF Downloads 661355 Treatment and Conservation of an Antique Stone Stela by Nano Calcium Hydroxide with Nano Silica in Egyptian Museum of Cairo
Authors: Elhussein Ahmed Elsayed
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An ancient limestone stela dating back to the epoch of the middle kingdom and displayed in the exhibition hall of the middle kingdom, it was discovered in Lisht in Giza, registered with No. 3045 and as a result of its display in an inappropriate display as a result of the use of natural lighting in the display, Represented in sunlight through windows opened day and night. The alternation of these daily changes between the temperature degrees of night and day, both daily and seasonally, causes the expansion and contraction of the rocks and then weakens their cohesion, causing fragmentation. This is indeed the current situation of this stela displayed in the hall, in addition to the damage and fading of colors, as well as the use of a high-viscosity restoration material in the consolidation that led to the attraction of dust and dirt and its adhesion to the surface. The color faded as a result of the lack of lighting control inside the exhibition hall, the remnants of the existing colors were blurred as a result of applying a consolidation material with a high viscosity, which led to the attraction of dust and dirt, and then blurring the colors on the inscription. Examinations and analyzes were carried out on the block, and the results of the examination with a polarized microscope showed that it is of primitive limestone, which contains fossils and microorganisms, which helps to damage. The analysis using the Raman device also showed that the high-viscosity material used in restoration in the past is Paralloid B72. The stone stela was consolidated by using two materials; Nano calcium hydroxide with Nano silica in the form of (Core-shell) at a concentration of 10% and it was applied using the brush.Keywords: Egyptian museum, stone stela, treatment, nano materials, nano silica
Procedia PDF Downloads 76354 Impact of Electric Field on the Optical Properties of Hydrophilic Quantum Dots
Authors: Valentina V. Goftman, Vladislav A. Pankratov, Alexey V. Markin, Tangi Aubert, Zeger Hens, Sarah De Saeger, Irina Yu. Goryacheva
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The most important requirements for biochemical applicability of quantum dots (QDs) are: 1) the surface cap should render intact or improved optical properties; 2) mono-dispersion and good stability in aqueous phase in a wide range of pH and ionic strength values; 3) presence of functional groups, available for bioconjugation; 4) minimal impact from the environment on the QDs’ properties and, vice versa, minimal influence of the QDs’ components on the environment; and 5) stability against chemical/biochemical/physical influence. The latter is especially important for in vitro and in vivo applications. For example, some physical intracellular delivery strategies (e.g., electroporation) imply a rapid high-voltage electric field impulse in order to temporarily generate hydrophilic pores in the cell plasma membrane, necessary for the passive transportation of QDs into the cell. In this regard, it is interesting to investigate how different capping layers, which can provide high stability and sufficient fluorescent properties of QDs in a water solution, behave under these abnormal conditions. In this contribution, hydrophobic core-shell CdSe/CdS/CdZnS/ZnS QDs (λem=600 nm), produced by means of the Successive Ion Layer Adsorption and Reaction (SILAR) technique, were transferred to a water solution using two of the most commonly used methods: (i) encapsulation in an amphiphilic brush polymer based on poly(maleic anhydride-alt-1-octadecene) (PMAO) modified with polyethylene glycol (PEG) chains and (ii) silica covering. Polymer encapsulation preserves the initial ligands on the QDs’ surface owing to the hydrophobic attraction between the hydrophobic groups of the amphiphilic molecules and the surface hydrophobic groups of the QDs. This covering process allows maintaining the initial fluorescent properties, but it leads to a considerable increase of the QDs’ size. However, covering with a silica shell, by means of the reverse microemulsion method, allows maintaining both size and fluorescent properties of the initial QDs. The obtained water solutions of polymer covered and silica-coated QDs in three different concentrations were exposed to a low-voltage electric field for a short time and the fluorescent properties were investigated. It is shown that the PMAO-PEG polymer acquires some additional charges in the presence of the electric field, which causes repulsion between the polymer and the QDs’ surface. This process destroys the homogeneity of the whole amphiphilic shell and it dramatically decreases the fluorescent properties (dropping to 10% from its initial value) because of the direct contact of the QDs with the strongly oxidative environment (water). In contrast, a silica shell possesses dielectric properties which allow retaining 90% of its initial fluorescence intensity, even after a longer electric impact. Thus, silica shells are clearly a preferable covering for bio-application of QDs, because – besides the high uniform morphology, controlled size and biocompatibility – it allows protecting QDs from oxidation, even under the influence of an electric field.Keywords: electric field, polymer coating, quantum dots, silica covering, stability
Procedia PDF Downloads 458353 Analysis of Sulphur-Oxidizing Bacteria Attack on Concrete Based on Waste Materials
Authors: A. Eštoková, M. Kovalčíková, A. Luptáková, A. Sičáková, M. Ondová
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Concrete durability as an important engineering property of concrete, determining the service life of concrete structures very significantly, can be threatened and even lost due to the interactions of concrete with external environment. Bio-corrosion process caused by presence and activities of microorganisms producing sulphuric acid is a special type of sulphate deterioration of concrete materials. The effects of sulphur-oxidizing bacteria Acidithiobacillus thiooxidans on various concrete samples, based on silica fume and zeolite, were investigated in laboratory during 180 days. A laboratory study was conducted to compare the performance of concrete samples in terms of the concrete deterioration influenced by the leaching of calcium and silicon compounds from the cement matrix. The changes in the elemental concentrations of calcium and silicon in both solid samples and liquid leachates were measured by using X – ray fluorescence method. Experimental studies confirmed the silica fume based concrete samples were found out to have the best performance in terms of both silicon and calcium ions leaching.Keywords: biocorrosion, concrete, leaching, bacteria
Procedia PDF Downloads 451352 Organic Permeation Properties of Hydrophobic Silica Membranes with Different Functional Groups
Authors: Sadao Araki, Daisuke Gondo, Satoshi Imasaka, Hideki Yamamoto
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The separation of organic compounds from aqueous solutions is a key technology for recycling valuable organic compounds and for the treatment of wastewater. The wastewater from chemical plants often contains organic compounds such as ethyl acetate (EA), methylethyl ketone (MEK) and isopropyl alcohol (IPA). In this study, we prepared hydrophobic silica membranes by a sol-gel method. We used phenyltrimethoxysilane (PhTMS), ethyltrimethoxysilan (ETMS), Propyltrimethoxysilane (PrTMS), N-butyltrimethoxysilane (BTMS), N-Hexyltrimethoxysilane (HTMS) as silica sources to introduce each functional groups on the membrane surface. Cetyltrimethyl ammonium bromide (CTAB) was used as a molecular template to create suitable pore that enable the permeation of organic compounds. These membranes with five different functional groups were characterized by SEM, FT-IR, and permporometry. Thicknesses and pore diameters of silica layer for all membrane were about 1.0 μm and about 1 nm, respectively. In other words, functional groups had an insignificant effect on the membrane thicknesses and the formation of the pore by CTAB. We confirmed the effect of functional groups on the flux and separation factor for ethyl acetate (EA), methyl ethyl ketone, acetone and 1-butanol (1-BtOH) /water mixtures. All membranes showed a high flux for ethyl acetate compared with other compounds. In particular, the hydrophobic silica membrane prepared by using BTMS showed 0.75 kg m-2 h-1 of flux for EA. For all membranes, the fluxes of organic compounds showed the large values in the order corresponding to EA > MEK > acetone > 1-BtOH. On the other hand, carbon chain length of functional groups among ETMS, PrTMS, BTMS, PrTMS and HTMS did not have a major effect on the organic flux. Although we confirmed the relationship between organic fluxes and organic molecular diameters or fugacity of organic compounds, these factors had a low correlation with organic fluxes. It is considered that these factors affect the diffusivity. Generally, permeation through membranes is based on the diffusivity and solubility. Therefore, it is deemed that organic fluxes through these hydrophobic membranes are strongly influenced by solubility. We tried to estimate the organic fluxes by Hansen solubility parameter (HSP). HSP, which is based on the cohesion energy per molar volume and is composed of dispersion forces (δd), intermolecular dipole interactions (δp), and hydrogen-bonding interactions (δh), has recently attracted attention as a means for evaluating the resolution and aggregation behavior. Evaluation of solubility for two substances can be represented by using the Ra [(MPa)1/2] value, meaning the distance of HSPs for both of substances. A smaller Ra value means a higher solubility for each substance. On the other hand, it can be estimated that the substances with large Ra value show low solubility. We established the correlation equation, which was based on Ra, of organic flux at low concentrations of organic compounds and at 295-325 K.Keywords: hydrophobic, membrane, Hansen solubility parameter, functional group
Procedia PDF Downloads 378351 Computational Material Modeling for Mechanical Properties Prediction of Nanoscale Carbon Based Cementitious Materials
Authors: Maryam Kiani, Abdul Basit Kiani
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At larger scales, the performance of cementitious materials is impacted by processes occurring at the nanometer scale. These materials boast intricate hierarchical structures with random features that span from the nanometer to millimeter scale. It is fascinating to observe how the nanoscale processes influence the overall behavior and characteristics of these materials. By delving into and manipulating these processes, scientists and engineers can unlock the potential to create more durable and sustainable infrastructure and construction materials. It's like unraveling a hidden tapestry of secrets that hold the key to building stronger and more resilient structures. The present work employs simulations as the computational modeling methodology to predict mechanical properties for carbon/silica based cementitious materials at the molecular/nano scale level. Studies focused on understanding the effect of higher mechanical properties of cementitious materials with carbon silica nanoparticles via Material Studio materials modeling.Keywords: nanomaterials, SiO₂, carbon black, mechanical properties
Procedia PDF Downloads 140