Search results for: plasma chemical etching

Authors: Iris Vural Gursel, Jonathan Moncada, Ernst Worrell, Andrea Ramirez

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In order to achieve the transition from a fossil to bio-based economy, biomass needs to replace fossil resources in meeting the world’s energy and chemical needs. This calls for development of biorefinery systems allowing cost-efficient conversion of biomass to chemicals. In biorefinery systems, feedstock is converted to key intermediates called platforms which are converted to wide range of marketable products. The C6 sugars platform stands out due to its unique versatility as precursor for multiple valuable products. Among the different potential routes from C6 sugars to bio-based chemicals, 1,3-butadiene and ε-caprolactam appear to be of great interest. Butadiene is an important chemical for the production of synthetic rubbers, while caprolactam is used in production of nylon-6. In this study, ex-ante techno-economic performance of 1,3-butadiene and ε-caprolactam routes from C6 sugars were assessed. The aim is to provide insight from an early stage of development into the potential of these new technologies, and the bottlenecks and key cost-drivers. Two cases for each product line were analyzed to take into consideration the effect of possible changes on the overall performance of both butadiene and caprolactam production. Conceptual process design for the processes was developed using Aspen Plus based on currently available data from laboratory experiments. Then, operating and capital costs were estimated and an economic assessment was carried out using Net Present Value (NPV) as indicator. Finally, sensitivity analyses on processing capacity and prices was done to take into account possible variations. Results indicate that both processes perform similarly from an energy intensity point of view ranging between 34-50 MJ per kg of main product. However, in terms of processing yield (kg of product per kg of C6 sugar), caprolactam shows higher yield by a factor 1.6-3.6 compared to butadiene. For butadiene production, with the economic parameters used in this study, for both cases studied, a negative NPV (-642 and -647 M€) was attained indicating economic infeasibility. For the caprolactam production, one of the cases also showed economic infeasibility (-229 M€), but the case with the higher caprolactam yield resulted in a positive NPV (67 M€). Sensitivity analysis indicated that the economic performance of caprolactam production can be improved with the increase in capacity (higher C6 sugars intake) reflecting benefits of the economies of scale. Furthermore, humins valorization for heat and power production was considered and found to have a positive effect. Butadiene production was found sensitive to the price of feedstock C6 sugars and product butadiene. However, even at 100% variation of the two parameters, butadiene production remained economically infeasible. Overall, the caprolactam production line shows higher economic potential in comparison to that of butadiene. The results are useful in guiding experimental research and providing direction for further development of bio-based chemicals.

Keywords: bio-based chemicals, biorefinery, C6 sugars, economic analysis, process modelling

Procedia PDF Downloads 152

Authors: Aman Sharma, Sonali Sengupta

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The study explores the utility of Bayesian optimization in tuning the physical and chemical parameters of reactions in an offline experimental setup. A comparative analysis of the influence of the acquisition function on the optimization performance is also studied. For proxy first and second-order reactions, the results are indifferent to the acquisition function used, whereas, while studying the parameters for oxidative desulphurization of thiophene in an offline setup, upper confidence bound (UCB) provides faster convergence along with a marginal trade-off in the maximum conversion achieved. The work also demarcates the critical number of independent parameters and input observations required for both sequential and offline reaction setups to yield tangible results.

Keywords: acquisition function, Bayesian optimization, desulfurization, kinetics, thiophene

Procedia PDF Downloads 182

Authors: Xiaoling Ren, Guidong Yang

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As one of the largest industrial synthetic chemicals in the world, ammonia has the advantages of high energy density, easy liquefaction, and easy transportation, which is widely used in agriculture, chemical industry, energy storage, and other fields. The industrial Haber-Bosch method process for ammonia synthesis is generally conducted under severe conditions. It is essential to develop a green, sustainable strategy for ammonia production to meet the growing demand. In this direction, photocatalytic nitrogen reduction has huge advantages over the traditional, well-established Haber-Bosch process, such as the utilization of natural sun light as the energy source and significantly lower pressure and temperature to affect the reaction process. However, the high activation energy of nitrogen and the low efficiency of photo-generated electron-hole separation in the photocatalyst result in low ammonia production yield. Many researchers focus on improving the catalyst. In addition to modifying the catalyst, improving the dispersion of the catalyst and making full use of active sites are also means to improve the overall catalytic activity. Few studies have been carried out on this, which is the aim of this work. In this work, by making full use of the nitrogen activation ability of WO3-x with defective sites, small size WO3-x photocatalyst with high dispersibility was constructed, while the growth of WO3-x was restricted by using a high specific surface area mesoporous SBA-15 molecular sieve with the regular pore structure as a template. The morphology of pure SBA-15 and WO3-x/SBA-15 was characterized byscanning electron microscopy (SEM). Compared with pure SBA-15, some small particles can be found in the WO3-x/SBA-15 material, which means that WO3-x grows into small particles under the limitation of SBA-15, which is conducive to the exposure of catalytically active sites. To elucidate the chemical nature of the material, the X-ray diffraction (XRD) analysis was conducted. The observed diffraction pattern inWO3-xis in good agreement with that of the JCPDS file no.71-2450. Compared with WO3-x, no new peaks appeared in WO3-x/SBA-15.It can be concluded that WO3-x/SBA-15 was synthesized successfully. In order to provide more active sites, the mass content of WO3-x was optimized. Then the photocatalytic nitrogen reduction performances of above samples were performed with methanol as a hole scavenger. The results show that the overall ammonia production performance of WO3-x/SBA-15 is improved than pure bulk WO3-x. The above results prove that making full use of active sites is also a means to improve overall catalytic activity.This work provides material basis for the design of high-efficiency photocatalytic nitrogen reduction catalysts.

Keywords: ammonia, photocatalytic, nitrogen reduction, WO3-x, high dispersibility

Procedia PDF Downloads 159

Authors: Chengcao Sun, Cuili Yang, Shujun Li, Ruilin Xue, Liang Wang, Yongyong Xi, Dejia Li

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Backgrounds: Sulforaphane, one of the most important isothiocyanates in the human diet, is known to have chemopreventive and antioxidant activities in different tissues via activation of NF-E2-related factor 2 (Nrf2)-mediated induction of antioxidant/phase II enzymes, such as heme oxygenase-1 (HO-1) and NAD(P)H quinone oxidoreductase 1 (NQO1). However, its effects on muscular dystrophy remain unknown. This work was undertaken to evaluate the effects of Sulforaphane on Duchenne muscular dystrophy (DMD). Methods: 4-week-old mdx mice were treated with SFN by gavage (2 mg/kg body weight per day) for 8 weeks. Blood was collected from eye socket every week, and tibial anterior, extensor digitorum longus, gastrocnemius, soleus, triceps brachii muscles and heart samples were collected after 8-week gavage. Force measurements and mice exercise capacity assays were detected. GSH/GSSG ratio, TBARS, CK and LDH levels were analyzed by spectrophotometric methods. H&E staining was used to analyze histological and morphometric of skeletal muscles of mdx mice, and Evas blue dye staining was made to detect sarcolemmal integrity of mdx mice. Further, the role of Sulforaphane on Nrf2/ARE signaling pathway was analyzed by ELISA, western blot and qRT-PCR. Results: Our results demonstrated that SFN treatment increased the expression and activity of muscle phase II enzymes NQO1 and HO-1 with Nrf2 dependent manner. SFN significantly increased skeletal muscle mass, muscle force (~30%), running distance (~20%) and GSH/GSSG ratio (~3.2 folds) of mdx mice, and decreased the activities of plasma creatine phosphokinase (CK) (~45%) and lactate dehydrogenase (LDH) (~40%), gastrocnemius hypertrophy (~25%), myocardial hypertrophy (~20%) and MDA levels (~60%). Further, SFN treatment also reduced the central nucleation (~40%), fiber size variability, inflammation and improved the sarcolemmal integrity of mdx mice. Conclusions: Collectively, these results show that SFN can improve muscle function, pathology and protect dystrophic muscle from oxidative damage in mdx mice through Nrf2 signaling pathway, which indicate Nrf2 may have clinical implications for the treatment of patients with muscular dystrophy.

Keywords: sulforaphane, duchenne muscular dystrophy, Nrf2, oxidative stress

Procedia PDF Downloads 323

Authors: Bouchra Wassate, Younes Karhat, Khadija El Falaki

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Leachate is a source of surface water and groundwater contamination if it has not been pretreated. Indeed, due to its complex structure and its pollution load make its treatment extremely difficult to achieve the standard limits required. The objective of this work is to show the interest of advanced oxidation processes on leachate treatment of urban waste containing high concentrations of organic pollutants. The efficiency of Fenton (Fe2+ +H2O2 + H+) reagent for young leachate recovered from collection trucks household waste in the city of Casablanca, Morocco, was evaluated with the objectives of chemical oxygen demand (COD) and discoloration reductions. The optimization of certain physicochemical parameters (initial pH value, reaction time, and [Fe2+], [H2O2]/ [Fe2+] ratio) has yielded good results in terms of reduction of COD and discoloration of the leachate.

Keywords: COD removal, color removal, Fenton process, oxidation process, leachate

Procedia PDF Downloads 286

Authors: Tizi Hayet, Berrama Tarek, Bounif Nadia

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Phenol and its derivatives are organic compounds utilized in the chemical industry. They are introduced into the environment by accidental spills and the illegal release of industrial and municipal wastewater. Phenols are organic intermediaries that are considered potential pollutants. Adsorption is one of the purification and separation techniques used in this area. Algeria annually produces 131000 tons of fig; therefore, a large amount of fig leaves is generated, and the conversion of this waste into adsorbent allows the valorization of agricultural residue. The main purpose of this present work is to describe an application of a statistical method for modeling and to optimize the conditions of the phenol adsorption from agricultural by-products, locally available (fig leaves). The best experimental performance of phenol elimination on the adsorbent was obtained with: Adsorbent concentration (X₂) = 200 mg L⁻¹; Initial concentration (X₃) = 150 mg L⁻¹; Speed agitation (X₁) = 300 rpm.

Keywords: low-cost adsorbents, adsorption, fig leaves, phenol, factorial design

Procedia PDF Downloads 113

Authors: S. Zouainia, R. Djebar, H. Berrebah, A. Sayeb

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This work focused on the study of physiological and biochemical changes observed in tadpoles exposed to fungicide Rana saharica Artea 330ec recently introduced in Algeria. For this, we tested the effect of xenobiotics on growth and development of tadpoles; among the studied parameters: total protein, glutathione and respiratory activity. The study of physiological parameters showed that the tadpoles change perfectly in the absence of toxic and in favorable conditions (pH, temperature). Our results showed an increased rate of protein and GSH in the presence of the fungicide Artea 330ec. The latter causes uninhibited very highly significant respiratory activity of tadpoles treated. The presence of xenobiotics in the breeding tadpoles water causes disturbances in behavior and food metabolism.

Keywords: amphibians, fungicides, pesticides, pollution

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Authors: Muhammad Mufakkar, Ghulam Hussain Bhatti, Maryem Rana

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The study of the coordination behavior of thiones is of considerable interest due to the similarity of their binding sites to those in living systems. The complexation of thiones towards Copper(I) has also received considerable attraction in view of their variable bonding modes, structural diversity and promising biological implications. Copper (I) complexes of thioureas of the general formula: CuLCl, CuL2Cl and CuL3Cl [where L= Thiourea and its N- and N, N/- mono and di alkyl and phenyl derivatives] have been prepared using Cu(I)CN in the presence of HCl. The complexes have been characterized by thermal, IR and NMR(1H and 13C) spectroscopy. An upfield shift in 13C NMR and downfield shifts in 1H NMR are consistent with the sulfur coordination to Copper(I). The disappearance of a band around 2200 cm⁻¹ in IR and a resonance around 146 ppm in 13C NMR indicates that during the course of reaction the cyanide group of the Copper(I) salt has been replaced by chloride leading to the formation of chlorido complexes.

Keywords: Thiones, complexation, spectra, TGA, thermogram, chemical shifts, deshielding, resonance

Procedia PDF Downloads 238

Authors: Wendong Yang, Changhai Wang, Valeria Arrighi

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Low ink sintering temperature is desired for flexible electronics, as it would widen the application of the ink on temperature-sensitive substrates where the selection of silver precursor is very critical. In this paper, four types of organic silver precursors, silver carbonate, silver oxalate, silver tartrate and silver itaconate, were synthesized using an ion exchange method, firstly. Various characterization methods were employed to investigate their physical phase, chemical composition, morphologies and thermal decomposition behavior. It was found that silver oxalate had the ideal thermal property and showed the lowest decomposition temperature. An ink was then formulated by complexing the as-prepared silver oxalate with ethylenediamine in organic solvents. Results show that a favorable conductive film with a uniform surface structure consisting of silver nanoparticles and few voids could be produced from the ink at a sintering temperature of 150 °C.

Keywords: conductive ink, electrical property, film, organic silver

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Authors: Mohan Singh Mehata, R. K. Ratnesh

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CdSe, CdSe/ZnS, and CdSe/CdS core-shell quantum dots (QDs) of 3-4 nm were developed by using chemical route and following successive ion layer adsorption and reaction (SILAR) methods. The prepared QDs have been examined by using X-ray diffraction, high-resolution electron microscopy and optical spectroscopy. The photoluminescence (PL) quantum yield (QY) of core-shell QDs increases with respect to the core, indicating that the radiative rate increases by the formation of shell around core, as evident by the measurement of PL lifetime. Further, the PL of bovine serum albumin is quenched strongly by the presence of core-shall QDs and follow the Stern-Volmer (S-V) relation, whereas the lifetime does not follow the S-V relation, demonstrating that the observed quenching is predominantly static in nature. Among all the QDs, the CdSe/ZnS QDs shows the least cytotoxicity hence most biocompatibility.

Keywords: biocompatibility, core-shell quantum dots, photoluminescence and lifetime, sensing ability

Procedia PDF Downloads 236

Authors: U. K. Sahin, N. Erdumlu, C. Saricam, I. Gocek, M. H. Arslan, H. Acikgoz-Tufan, B. Kalav

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Finishing is an important part of fabric processing with which a wide range of features are imparted to greige or colored fabrics for various end-uses. Especially, by the addition or impartation of nano-scaled particles to the fabric structure composite fabrics, a kind of composite materials can be acquired. Composite materials, generally shortened as composites or in other words composition materials, are engineered or naturally occurring materials made from two or more component materials with significantly different physical, mechanical or chemical characteristics remaining separate and distinctive at the macroscopic or microscopic scale within the end product structure. Therefore, the technique finishing which is one of the fundamental methods to be applied on fabrics for obtainment of composite fabrics with many functionalities was used in the current study with the same purpose. However, regardless of the finishing materials applied, the efficient life of finished product on offering desired feature is low, since the durability of finishes on the material is limited. Any increase in durability of these finishes on textiles would enhance the life of use for textiles, which will result in happier users. Therefore, in this study, since higher durability was desired for the finishing materials fixed on the fabrics, nano-scaled hollow structured cyclodextrins were chemically imparted by grafting to the structure of conventional cotton fabrics by the help of finishing technique in order to be fixed permanently. By this way, a processed and functionalized base fabric having potential to be treated in the subsequent processes with many different finishing agents and nanomaterials could be obtained. Henceforth, this fabric can be used as a multi-functional fabric due to the encapturing ability of cyclodextrins to molecules/particles via physical/chemical means. In this study, scoured and rinsed woven bleached plain weave 100% cotton fabrics were utilized because textiles made of cotton are the most demanded textile products in the textile market by the textile consumers in daily life. Cotton fabric samples were immersed in treating baths containing β-cyclodextrin and 1,2,3,4-butanetetracarboxylic acid and to reduce the curing temperature the catalyst sodium hypophosphite monohydrate was used. All impregnated fabric samples were pre-dried. The reaction of grafting was performed in dry state. The treated and cured fabric samples were rinsed with warm distilled water and dried. The samples were dried for 4 h and weighed before and after finishing and rinsing. Stability and durability of β-cyclodextrins on fabric surface against external factors such as washing as well as strength of functionalized fabric in terms of tensile and tear strength were tested. Presence and homogeneity of distribution of β-cyclodextrins on fabric surface were characterized.

Keywords: cotton fabric, cyclodextrine, improved durability, multifunctional composite textile

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Authors: Melik Kara, Gulsah Tulger Kara

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The soil is a crucial component of the ecosystem, and in industrial and urban areas it receives large amounts of trace elements from several sources. Therefore, accumulated pollutants in surface soils can be transported to different environmental components, such as deep soil, water, plants, and dust particles. While elemental contamination of soils is caused mainly by atmospheric deposition, soil also affects the air quality since enriched trace elemental contents in atmospheric particulate matter originate from resuspension of polluted soils. The objectives of this study were to determine the total and leachate concentrations of trace elements in soils of city area in Izmir and characterize their spatial distribution and to identify the possible sources of trace elements in surface soils. The surface soil samples were collected from 20 sites. They were analyzed for total element concentrations and leachate concentrations. Analyses of trace elements (Ag, Al, As, B, Ba, Be, Bi, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Hf, Ho, K, La, Li, Lu, Mg, Mn, Mo, Na, Nd, Ni, P, Pb, Pr, Rb, Sb, Sc, Se, Si, Sm, Sn, Sr, Tb, Th, Ti, Tl, Tm, U, V, W, Y, Yb, Zn and Zr) were carried out using ICP-MS (Inductively Coupled Plasma-Mass Spectrometer). The elemental concentrations were calculated along with overall median, kurtosis, and skewness statistics. Elemental composition indicated that the soil samples were dominated by crustal elements such as Si, Al, Fe, Ca, K, Mg and the sea salt element, Na which is typical for Aegean region. These elements were followed by Ti, P, Mn, Ba and Sr. On the other hand, Zn, Cr, V, Pb, Cu, and Ni (which are anthropogenic based elements) were measured as 61.6, 39.4, 37.9, 26.9, 22.4, and 19.4 mg/kg dw, respectively. The leachate element concentrations were showed similar sorting although their concentrations were much lower than total concentrations. In the study area, the spatial distribution patterns of elemental concentrations varied among sampling sites. The highest concentrations were measured in the vicinity of industrial areas and main roads. To determine the relationships among elements and to identify the possible sources, PCA (Principal Component Analysis) was applied to the data. The analysis resulted in six factors. The first factor exhibited high loadings of Co, K, Mn, Rb, V, Al, Fe, Ni, Ga, Se, and Cr. This factor could be interpreted as residential heating because of Co, K, Rb, and Se. The second factor associated positively with V, Al, Fe, Na, Ba, Ga, Sr, Ti, Se, and Si. Therefore, this factor presents mixed city dust. The third factor showed high loadings with Fe, Ni, Sb, As, Cr. This factor could be associated with industrial facilities. The fourth factor associated with Cu, Mo, Zn, Sn which are the marker elements of traffic. The fifth factor presents crustal dust, due to its high correlation with Si, Ca, and Mg. The last factor is loaded with Pb and Cd emitted from industrial activities.

Keywords: trace elements, surface soil, source apportionment, Izmir

Procedia PDF Downloads 140

Authors: T. Teruzzi, S. Antonietti, C. Mosca, C. Paglia

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This paper discusses the causes of the structural failure in a tower crane. The structural collapse occurred at the upper joints of the extension element used to increase the height of the crane. The extension element consists of a steel lattice structure made with angular profiles and plates joined to the tower element by arc welding. Macroscopic inspection of the sections showed that the break was always observed on the angular profiles at the weld bead edge. The case study shows how, using mechanical characterization, chemical analysis of the steel and macroscopic and microscopic metallographic examinations, it was possible to obtain significant evidence that identified the mechanism causing the breakage. The analyses identified the causes of the structural failure as the use of materials that were not suitable for welding and poor performance in the welding joints.

Keywords: failure, metals, weld, microstructure

Procedia PDF Downloads 126

Authors: Ramdane Gaouir

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Farmers in the two regions of Tizi-Ouzou, DBK and Tadmait, face different crop pests, namely, fungal diseases, insect attack as well as different types of deficiencies. To fight against all these threats, they resort to the use of a wide variety of chemicals. Our survey carried out in these two regions, aims to identify the different types of pesticides used, the method of management of the packaging generated by these phytosanitary products as well as the evaluation of the effect of these products on the farmers' health and the environment. The results obtained highlighted the use of two types of pesticides with a very wide application, namely fungicides and insecticides. The two most widely identified chemical families are neonicotoids and organophosphates, which are among the most toxic and persistent pesticides in the environment. The management method of packaging and the application of products by spraying reflect the lack of training and the unawareness of farmers vis-à-vis the impact of pesticides on their health and on the environment.

Keywords: farmers, crops, pesticides, fungicides, neonicotinoids, organochlorines

Procedia PDF Downloads 95

Authors: Expedito J. S. Parente Jr., Italo C. Rios, Joao Paulo C. Marques, Rosana M. A. Saboya, F. Murilo T. Luna, Célio L. Cavalcante Jr.

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Increasing constraints of environmental regulation around the world have led to higher demand for biodegradable products. Vegetable oils present some properties that may favor their use as biolubricants; however, there are others, such as resistance to oxidation and pour point, which affect possible commercial applications. In this study, the physicochemical properties of biolubricants synthesized from different vegetable oils were evaluated and compared with petroleum-based lubricant and pure vegetable oil. Chemical modifications applied to the original vegetable oil improved their oxidative stability and pour point significantly. The addition of commercial antioxidants to the bio-based lubricants was evaluated, yielding values of oxidative stability close to those of mineral basestock oil.

Keywords: biolubricant, vegetable oil, oxidative stability, pour point, antioxidants

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Authors: A. Medjnoun, R. Bahar

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The disorders caused by the shrinking-swelling phenomenon are prevalent in arid and semi-arid in the presence of swelling clay. This soil has the characteristic of changing state under the effect of water solicitation (wetting and drying). A set of geotechnical parameters is necessary for the characterization of this soil type, such as state parameters, physical and chemical parameters and mechanical parameters. Some of these tests are very long and some are very expensive, hence the use or methods of predictions. The complexity of this phenomenon and the difficulty of its characterization have prompted researchers to use several identification parameters in the prediction of swelling potential. This document is an analytical and statistical study of geotechnical parameters affecting the potential of swelling clays. This work is performing on a database obtained from investigations swelling Algerian soil. The obtained observations have helped us to understand the soil swelling structure and its behavior.

Keywords: analysis, estimated model, parameter identification, swelling of clay

Procedia PDF Downloads 417

Authors: Jintang Zhou, Zhengjun Yao, Tiantian Yao

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Li₀.₃₅Zn₀.₃Fe₂.₃₅O₄(LZFO) grafted with polyaniline (PANI) fibers was synthesized by in situ polymerization. FTIR, XRD, SEM, and vector network analyzer were used to investigate chemical composition, micro-morphology, electromagnetic properties and microwave absorbing properties of the composite. The results show that PANI fibers were grafted on the surfaces of LZFO particles. The reflection loss exceeds 10 dB in the frequency range from 2.5 to 5 GHz and from 15 to 17GHz, and the maximum reflection loss reaches -33 dB at 15.9GHz. The enhanced microwave absorption properties of LZFO/PANI-fiber composites are mainly ascribed to the combined effect of both dielectric loss and magnetic loss and the improved impedance matching.

Keywords: Li₀.₃₅Zn₀.₃Fe₂.₃₅O₄, polyaniline, electromagnetic properties, microwave absorbing properties

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Authors: M. Djekoun, H. Berrebah, M. R. Djebar

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Fusarium wilt attacks the plants of major economic interest including wheat. This disease causes many problems for farmers and economic loss resulting are often very heavy. Chemical control is currently one of the most effective ways to fight against these diseases. In this study, the efficacy of three fungicides (tebuconazole, thiram and fludioxonil - difenoconazole mixture) was tested, in vitro, on the phytopathogenic Fusarium sp. isolated from seeds of wheat. The active ingredients were tested at different concentrations: 0.06, 1.39, 2.79, 5.58, and 11.16 mg/l for tebuconazole, 0.035, 0.052, 0.105, 0.21, and 0.42 mg/l for thiram and finally, for the mixture fludioxonil- difenoconazole 4 concentrations were tested : 0.05, 0.1, 0.5, and 1 mg/l. Toxicity responses were expressed as the effective concentration, which inhibits mycelial growth by 50%, (EC50). Of the three selected fungicides, thirame proved to be the most effective with EC50 value of the order of 0,15 mg/l followed by the mixture of fludioxonil- difenoconazole with 0,27 mg/l and finally tebuconazole with a value of 3.79 mg/l.

Keywords: Fusarium sp, thiram, tebuconazole, fludioxonil, difenoconazole, EC50

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Authors: Z. Bayat

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A quantitative structure–property relationship (QSPR) study was performed to develop models those relate the structures of 65 Kovats retention index (RI) of adamantane derivatives. Molecular descriptors derived solely from 3D structures of the molecular compounds. The usefulness of the quantum chemical descriptors, calculated at the level of the DFT theories using 6-311+G** basis set for QSAR study of adamantane derivatives was examined. The use of descriptors calculated only from molecular structure eliminates the need to experimental determination of properties for use in the correlation and allows for the estimation of RI for molecules not yet synthesized. The prediction results are in good agreement with the experimental value. A multi-parametric equation containing maximum Four descriptors at B3LYP/6-31+G** method with good statistical qualities (R2train=0.913, Ftrain=97.67, R2test=0.770, Ftest=3.21, Q2LOO=0.895, R2adj=0.904, Q2LGO=0.844) was obtained by Multiple Linear Regression using stepwise method.

Keywords: DFT, adamantane, QSAR, Kovat

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Authors: Tizi Hayet, Berrama Tarek, Bounif Nadia

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Phenol and its derivatives are organic compounds utilized in the chemical industry. They are introduced into the environment by accidental spills and illegal release of industrial and municipal wastewater. Phenols are organic intermediaries that considered as potential pollutants. Adsorption is one of the purification and separation techniques used in this area. Algeria produces annually 131000 tones of fig; therefore, a large amount of fig leaves is generated, and the conversion of this waste into adsorbent allows the valorization of agricultural residue. The main purpose of this present work is to describe an application of the statistical method for modeling and optimization of the conditions of the phenol (Ph) adsorption from agricultural by-product locally available (fig leaves). The best experimental performance of Ph elimination on the adsorbent was obtained with: Adsorbent concentration (X2) = 0.2 g L-1; Initial concentration (X3) = 150 mg L-1; Speed agitation (X1) = 300 rpm.

Keywords: low-cost adsorbents, fig leaves, full factorial design, phenol, biosorption

Procedia PDF Downloads 97

Authors: Abdullah Khan, Per Redelius, Nicole Kringos

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The breaking and coalescence process in bitumen emulsion strongly influence the performance of the cold mix asphalt (CMA) and this phase separation process is affected by the physio-chemical changes happening at the bitumen/water interface. In this paper, coalescence experiments of two bitumen droplets in an emulsion environment have been carried out by a newly developed test procedure. In this study, different types of emulsifiers were selected to understand the coalescence process with respect to changes in the water phase surface tension due to addition of different surfactants and other additives such as salts. The research showed that the relaxation kinetics of bitumen droplets varied with the type of emulsifier, its concentration as well as with and without presence of salt in the water phase. Moreover, kinetics of the coalescence process was also investigated with the temperature variation.

Keywords: bitumen emulsions, breaking and coalescence, cold mix asphalt, emulsifiers, relaxation, salts

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Authors: Vijay Kumar Kukreja, Ravneet Kaur

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In this paper, one dimensional advection diffusion model is analyzed using finite difference method based on Crank-Nicolson scheme. A practical problem of filter cake washing of chemical engineering is analyzed. The model is converted into dimensionless form. For the grid Ω × ω = [0, 1] × [0, T], the Crank-Nicolson spatial derivative scheme is used in space domain and forward difference scheme is used in time domain. The scheme is found to be unconditionally convergent, stable, first order accurate in time and second order accurate in space domain. For a test problem, numerical results are compared with the analytical ones for different values of parameter.

Keywords: Crank-Nicolson scheme, Lax-Richtmyer theorem, stability, consistency, Peclet number, Greschgorin circle

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Authors: Walid K. M. Bani Salameh, Hesham Ahmad, Mohammad Al-Shannag

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In Jordan having deficit atmospheric precipitation, an increase in water demand during summer months . Jordan can be regarded with a relatively high potential for waste water recycling and reuse. The main purpose of this paper was to investigate the removal of Total suspended solids (TSS) and chemical oxygen demand (COD) for olive mill waste water (OMW) by the electrocoagulation (EC) process. In the combination of electrocoagulation by using coupled iron–aluminum electrodes the optimum working pH was found to be in range 6. The efficiency of the electrocoagulation process allowed removal of TSS and COD about 82.5% and 47.5% respectively at 45 mA/cm2 after 70 minutes by using coupled iron–aluminum electrodes. These results showed that the optimum TSS and COD removal was obtained at the optimum experimental parameters such as current density, pH, and reaction time.

Keywords: olive mill wastewater, electrode, electrocoagulation (EC), TSS, COD

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Authors: Rachid El Aidani, Phuong Nguyen-Tri, Toan Vu-Khanh

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This study intends to show the influence of the hydrolytic degradation on the properties of the e-PTFE/NOMEX® membranes used in fire-protective clothing. The modification of water vapour permeability, morphology and chemical structure was examined by MOCON Permatran, electron microscopy scanning (SEM), and ATR-FTIR, respectively. A decrease in permeability to water vapour of the aged samples was observed following closure of transpiration pores. Analysis of fiber morphology indicates the appearance of defects at the fibers surface with the presence of micro cavities as well as the of fibrils. ATR-FTIR analysis reveals the presence of a new absorption band attributed to carboxylic acid terminal groups generated during the amide bond hydrolysis.

Keywords: hydrolytic ageing, moisture membrane, water vapor permeability, morphology

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Authors: Abderrahmane Hamdi, Julie Chalon, Benoit Dodin, Philippe Champagne

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In this report, we present a simple route to realize robust, hydrophobic, and highly transparent coatings using organic polysilazane (durazane) and zinc oxide nanoparticles (ZnO). These coatings were deposited by spraying the mixture solution on glass slides. Thus, the properties of the films were characterized by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), UV–vis-NIR spectrophotometer, and water contact angle method. This sprayable polymer mixed with ZnO nanoparticles shows high transparency for visible light > 90%, a hydrophobic character (CA > 90°), and good mechanical and chemical stability. The coating also demonstrates excellent self-cleaning properties, which makes it a promising candidate for commercial use.

Keywords: coatings, durability, hydrophobicity, organic polysilazane, self-cleaning, transparence, zinc oxide nanoparticles

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Authors: Delara Soltani, Sajad Alimohammadi, Tim Persoons

Abstract:

Microfluidic technology reveals a new area of research in drug delivery, biomedical diagnostics, and the food and chemical industries. Mixing is an essential part of microfluidic devices. There is a need for fast and homogeneous mixing in microfluidic devices. On the other hand, mixing is difficult to achieve in microfluidic devices because of the size and laminar flow in these devices. In this study, a hybrid passive micromixer of a curved channel with obstacles inside the channel is designed. The computational fluid dynamic method is employed to solve governing equations. The results show that using obstacles can improve mixing efficiency in spiral micromixers. the effects of Reynolds number, number, and position of baffles are investigated. In addition, the effect of baffles on pressure drop is presented. this novel micromixer has the potential to utilize in microfluidic devices.

Keywords: CFD, micromixer, microfluidics, spiral, reynolds number

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Authors: Seok Hong Min, Tae Kwon Ha

Abstract:

With the increasing interest on Ti alloys, the extraction process of Ti from its typical ore, TiO₂, has long been and will be important issue. As an intermediate product for the production of pigment or titanium metal sponge, tetrachloride (TiCl₄) is produced by fluidized bed using high TiO₂ feedstock. The purity of TiCl₄ after chlorination is subjected to the quality of the titanium feedstock. Since the impurities in the TiCl₄ product are reported to final products, the purification process of the crude TiCl₄ is required. The purification process includes fractional distillation and chemical treatment, which depends on the nature of the impurities present and the required quality of the final product. In this study, thermodynamic analysis on the impurity effect in the chlorination process, which is the first step of extraction of Ti from TiO₂, has been conducted. All thermodynamic calculations were performed using the FactSage thermodynamical software.

Keywords: rutile, titanium, chlorination process, impurities, thermodynamic calculation, FactSage

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Authors: Biao Sun, Tejas Bhatelia, Vishnu Pareek, Ranjeet Utikar, Moses Tadé

Abstract:

Additive manufacturing (AM), commonly known as 3D printing, with the continuing advances in parallel processing and computational modeling, has created a paradigm shift (with significant radical thinking) in the design and operation of chemical processing plants, especially LNG plants. With the rising energy demands, environmental pressures, and economic challenges, there is a continuing industrial need for disruptive technologies such as AM, which possess capabilities that can drastically reduce the cost of manufacturing and operations of chemical processing plants in the future. However, the continuing challenge for 3D printing is its lack of adaptability in re-designing the process plant equipment coupled with the non-existent theory or models that could assist in selecting the optimal candidates out of the countless potential fabrications that are possible using AM. One of the most common packings used in the LNG process is structured packing in the packed column (which is a unit operation) in the process. In this work, we present an example of an optimum strategy for the application of AM to this important unit operation. Packed columns use a packing material through which the gas phase passes and comes into contact with the liquid phase flowing over the packing, typically performing the necessary mass transfer to enrich the products, etc. Structured packing consists of stacks of corrugated sheets, typically inclined between 40-70° from the plane. Computational Fluid Dynamics (CFD) was used to test and model various geometries to study the governing hydrodynamic characteristics. The results demonstrate that the costly iterative experimental process can be minimized. Furthermore, they also improve the understanding of the fundamental physics of the system at the multiscale level. SpiroPak, patented by Curtin University, represents an innovative structured packing solution currently at a technology readiness level (TRL) of 5~6. This packing exhibits remarkable characteristics, offering a substantial increase in surface area while significantly enhancing hydrodynamic and mass transfer performance. Recent studies have revealed that SpiroPak can reduce pressure drop by 50~70% compared to commonly used commercial packings, and it can achieve 20~50% greater mass transfer efficiency (particularly in CO2 absorption applications). The implementation of SpiroPak has the potential to reduce the overall size of columns and decrease power consumption, resulting in cost savings for both capital expenditure (CAPEX) and operational expenditure (OPEX) when applied to retrofitting existing systems or incorporated into new processes. Furthermore, pilot to large-scale tests is currently underway to further advance and refine this technology.

Keywords: Additive Manufacturing (AM), 3D printing, Computational Fluid Dynamics (CFD, structured packing (SpiroPak)

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Authors: Felipe B. Martinez, Imelda C. Galera

Abstract:

This paper presents an update on the physico-chemical properties of the Taal Lake for local government officials and representatives of non-government organizations by monitoring and evaluating a total of nine (9) water quality parameters. The study further shows that the Taal Lakes surface temperature, pH, total dissolved solids, total suspended solids, color, and dissolved oxygen content conform to the standards set by the Department of Environment and Natural resources (DENR); while phosphate, chlorine, and 5-Day 20°C BOD are below the standard. Likewise, the T-test result shows no significant difference in the overall average of the two sites at the Taal Lake (P > 0.05). Based on the data, the Lake is safe for primary contact recreation such as bathing, swimming and skin diving, and can be used for aqua culture purposes.

Keywords: cool dry season, hot dry season, rainy season, Taal Lake, water quality

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Authors: Areej K. Al-Jwaid, Dmitiry Berllio, Andrew Cundy, Irina Savina, Jonathan L. Caplin

Abstract:

Phenol is a toxic compound that is widely distributed in the environment including the atmosphere, water and soil, due to the release of effluents from the petrochemical and pharmaceutical industries, coking plants and oil refineries. Moreover, a range of daily products, using phenol as a raw material, may find their way into the environment without prior treatment. The toxicity of phenol effects both human and environment health, and various physio-chemical methods to remediate phenol contamination have been used. While these techniques are effective, their complexity and high cost had led to search for alternative strategies to reduce and eliminate high concentrations of phenolic compounds in the environment. Biological treatments are preferable because they are environmentally friendly and cheaper than physico-chemical approaches. Some microorganisms such as Pseudomonas sp., Rhodococus sp., Acinetobacter sp. and Bacillus sp. have shown a high ability to degrade phenolic compounds to provide a sole source of energy. Immobilisation process utilising various materials have been used to protect and enhance the viability of cells, and to provide structural support for the bacterial cells. The aim of this study is to develop a new approach to the bioremediation of phenol based on an immobilisation strategy that can be used in wastewater. In this study, two bacterial species known to be phenol degrading bacteria (Pseudomonas mendocina and Rhodococus koreensis) were purchased from National Collection of Industrial, Food and Marine Bacteria (NCIMB). The two species and mixture of them were immobilised to produce macro porous crosslinked cell cryogels samples by using four types of cross-linker polymer solutions in a cryogelation process. The samples were used in a batch culture to degrade phenol at an initial concentration of 50mg/L at pH 7.5±0.3 and a temperature of 30°C. The four types of polymer solution - i. glutaraldehyde (GA), ii. Polyvinyl alcohol with glutaraldehyde (PVA+GA), iii. Polyvinyl alcohol–aldehyde (PVA-al) and iv. Polyetheleneimine–aldehyde (PEI-al), were used at different concentrations, ranging from 0.5 to 1.5% to crosslink the cells. The results of SEM and rheology analysis indicated that cell-cryogel samples crosslinked with the four cross-linker polymers formed monolithic macro porous cryogels. The samples were evaluated for their ability to degrade phenol. Macro porous cell–cryogels crosslinked with GA and PVA+GA showed an ability to degrade phenol for only one week, while the other samples crosslinked with a combination of PVA-al + PEI-al at two different concentrations have shown higher stability and viability to reuse to degrade phenol at concentration (50 mg/L) for five weeks. The initial results of using crosslinked cell cryogel samples to degrade phenol indicate that is a promising tool for bioremediation strategies especially to eliminate and remove the high concentration of phenol in wastewater.

Keywords: bioremediation, crosslinked cells, immobilisation, phenol degradation

Procedia PDF Downloads 234