Search results for: quantum chemical

Authors: Shailendra Kumar Patidar

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Eutrophication of surface water is one of the most widespread environmental problems at present. Large number of pilgrims and tourists visit sacred artificial tank known as “Brahma Sarover” located at Kurukshetra, India to take holy dip and perform religious ceremonies. The sources of pollutants include impurities in feed water, mass bathing, religious offerings and windblown particulate matter. Studies so far have focused mainly on assessing water quality for bathing purpose by using physico-chemical and bacteriological parameters. No effort has been made to assess nutrient concentration and trophic status of the tank to take more appropriate measures for improving water quality on long term basis. In the present study, total nitrogen, total phosphorous and chlorophyll a measurements have been done to assess the nutrient level and trophic status of the tank. The results show presence of high concentration of nutrients and Chlorophyll a indicating mesotrophic and eutrophic state of the tank. Phosphorous has been observed as limiting nutrient in the tank water.

Keywords: Brahma Sarover, eutrophication, nutrients, trophic status

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Authors: A. Sebti Bouzid, S. Igoud, L. Aoudjit, H. Lebik

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Mathematical modeling and numerical simulation have emerged over the past two decades as one of the key tools for design and optimize performances of physical and chemical processes intended to water disinfection. Water photolysis is an efficient and economical technique to reduce bacterial contamination. It exploits the germicidal effect of solar ultraviolet irradiation to inactivate pathogenic microorganisms. The design of photo-reactor operating in continuous disinfection system, required tacking in account the hydrodynamic behavior of water in the reactor. Since the kinetic of disinfection depends on irradiation intensity distribution, coupling the hydrodynamic and solar radiation distribution is of crucial importance. In this work we propose a numerical simulation study for hydrodynamic and solar irradiation distribution in a tubular photo-reactor. We have used the Computational Fluid Dynamic code Fluent under the assumption of three-dimensional incompressible flow in unsteady turbulent regimes. The results of simulation concerned radiation, temperature and velocity fields are discussed and the effect of inclination angle of reactor relative to the horizontal is investigated.

Keywords: solar water disinfection, hydrodynamic modeling, solar irradiation modeling, CFD Fluent

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Authors: Kübra Aktaş, Nermin Bilgiçli, Tayyibe Erten, Perihan Kübra Çiçek

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In this research, different wheat-legume flour blends were used in Turkish noodle preparation with the aid of some gums (xanthan and guar). Chickpea, common bean and soy flours were used in noodle formulation at 20% level with and without gum (1%) addition. Some physical, chemical and sensory properties of noodles were determined. Water uptake, volume increase and cooking loss values of the noodles changed between 92.03-116.37%, 125.0-187.23% and 4.88-8.10%, respectively. Xanthan or guar gam addition decreased cooking loss values of legume fortified noodles. Both legume flour and gum addition significantly (p<0.05) affected the color values of the noodles. The lowest lightness (L*), redness (a*) and the highest yellowness (b*) values were obtained with soy flour usage in noodle formulation. Protein and ash values of noodles ranged between 15.14 and 21.82%; 1.62 and 2.50%, respectively, and the highest values were obtained with soy flour usage in noodle formulation. As a result of sensory evaluation, noodles containing chickpea flour and guar gum were rated with higher taste, odor, appearance and texture scores compared to other noodle samples.

Keywords: noodle, legume, soy, chickpea, common bean, gum

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Authors: Chaluntorn Vichasilp, Sutee Wangtueai

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This study aims to develop a new method to detect active compounds in Thai herbs (1-deoxynojirimycin (DNJ) in mulberry leave, anthocyanin in Mao and curcumin in turmeric) using near infrared spectroscopy (NIRs). NIRs is non-destructive technique that rapid, non-chemical involved and low-cost determination. By NIRs and chemometrics technique, it was found that the DNJ prediction equation conducted with partial least square regression with cross-validation had low accuracy R2 (0.42) and SEP (31.87 mg/100g). On the other hand, the anthocyanin prediction equation showed moderate good results (R2 and SEP of 0.78 and 0.51 mg/g) with Multiplication scattering correction at wavelength of 2000-2200 nm. The high absorption could be observed at wavelength of 2047 nm and this model could be used as screening level. For curcumin prediction, the good result was obtained when applied original spectra with smoothing technique. The wavelength of 1400-2500 nm was created regression model with R2 (0.68) and SEP (0.17 mg/g). This model had high NIRs absorption at a wavelength of 1476, 1665, 1986 and 2395 nm, respectively. NIRs showed prospective technique for detection of some active compounds in Thai herbs.

Keywords: anthocyanin, curcumin, 1-deoxynojirimycin (DNJ), near infrared spectroscopy (NIRs)

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Authors: Avdhesh K. Sharma

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Formulation for drying and pyrolysis process in packed beds at slow heating rates is presented. Drying of biomass particles bed is described by mass diffusion equation and local moisture-vapour-equilibrium relations. In gasifiers, volatilization rate during pyrolysis of biomass is modeled by using apparent kinetic rate expression, while product compositions at slow heating rates is modeled using empirical fitted mass ratios (i.e., CO/CO₂, ME/CO₂, H₂O/CO₂) in terms of pyrolysis temperature. The drying module is validated fairly with available chemical kinetics scheme and found that the testing zone in gasifier bed constituted of relatively smaller particles having high airflow with high isothermal temperature expedite the drying process. Further, volatile releases more quickly within the shorter zone height at high temperatures (isothermal). Both, moisture loss and volatile release profiles are found to be sensitive to temperature, although the influence of initial moisture content on volatile release profile is not so sensitive.

Keywords: modeling downdraft gasifier, drying, pyrolysis, moist woody biomass

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Authors: Görkem Ülkü, Nesrin Köken, Esin A. Güvel, Nilgün Kızılcan

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Ethoxylated nonyl phenols (ENP) and ceric ammonium nitrate redox systems have been used for the polymerization of vinyl and acrylic monomers. In that case, ENP acted as an organic reducing agent in the presence of Ce (IV) salt and a radical was formed. The polymers obtained with that redox system contained ENP chain ends because the radicals are formed on the reducing molecules. Similar copolymer synthesis has been reported using poly(ethylene oxide) instead of its nonyl phenol terminated derivative, ENP. However, copolymers of poly(ethylene oxide) and conducting polymers synthesized by ferric ions were produced in two steps. Firstly, heteroatoms (pyrrole, thiophene etc.) were attached to the poly(ethylene oxide) chains then copolymerization with heterocyclic monomers was carried out. In this work, ethoxylated nonylphenol (ENP) was reacted with 2-thiophenecarbonyl chloride in order to synthesize a macromonomer containing thienyl end-group (ENP-ThC). Then, copolymers of ENP-ThC and pyrrole were synthesized by chemical oxidative polymerization using iron (III) chloride as an oxidant.

Keywords: end capped polymer, ethoxylated nonylphenol, heterophase polymerization, polypyrrole

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Authors: Samad Alipour, Khadije Mosavi Onlaghi

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Urmia Salt Lake (USL) is a hypersaline lake in the northwest of Iran. It contains halite as main dissolved and precipitated mineral and the major mineral mixed with lake bed sediments. Other detrital minerals such as calcite, aragonite, dolomite, quartz, feldspars, augite are forming lake sediments. This study examined the impact of weathering of this sediments collected from 1.5 meters depth and augite placers. The study indicated that weathering of tephritic and adakite rocks of the Islamic Island at the immediate boundary of the lake play a main control of lake bed sediments and has produced a large volume of augite placer along the lake bank. Weathering increases from south to toward north with increasing distance from Islamic Island. Geochemistry of lake sediments demonstrated the enrichment of MgO, CaO, Sr with an elevated anomaly of Eu, possibly due to surface absorbance of Mn and Fe associated Sr elevation originating from adakite volcanic rocks in the vicinity of the lake basin. The study shows the local geology is the major factor in origin of lake sediments than chemical and biochemical produced mineral during diagenetic processes.

Keywords: Urmia Lake, weathering, mineralogy, augite, Iran

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Authors: Mahmoud Reza Hosseini

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The universe is in a continuous expansion process, resulting in the reduction of its density and temperature. Also, by extrapolating back from its current state, the universe at its early times has been studied known as the big bang theory. According to this theory, moments after creation, the universe was an extremely hot and dense environment. However, its rapid expansion due to nuclear fusion led to a reduction in its temperature and density. This is evidenced through the cosmic microwave background and the universe structure at a large scale. However, extrapolating back further from this early state reaches singularity which cannot be explained by modern physics and the big bang theory is no longer valid. In addition, one can expect a nonuniform energy distribution across the universe from a sudden expansion. However, highly accurate measurements reveal an equal temperature mapping across the universe which is contradictory to the big bang principles. To resolve this issue, it is believed that cosmic inflation occurred at the very early stages of the birth of the universe According to the cosmic inflation theory, the elements which formed the universe underwent a phase of exponential growth due to the existence of a large cosmological constant. The inflation phase allows the uniform distribution of energy so that an equal maximum temperature could be achieved across the early universe. Also, the evidence of quantum fluctuations of this stage provides a means for studying the types of imperfections the universe would begin with. Although well-established theories such as cosmic inflation and the big bang together provide a comprehensive picture of the early universe and how it evolved into its current state, they are unable to address the singularity paradox at the time of universe creation. Therefore, a practical model capable of describing how the universe was initiated is needed. This research series aims at addressing the singularity issue by introducing an energy conversion mechanism. This is accomplished by establishing a state of energy called a “neutral state”, with an energy level which is referred to as “base energy” capable of converting into other states. Although it follows the same principles, the unique quanta state of the base energy allows it to be distinguishable from other states and have a uniform distribution at the ground level. Although the concept of base energy can be utilized to address the singularity issue, to establish a complete picture, the origin of the base energy should be also identified. This matter is the subject of the first study in the series “A Conceptual Study for Investigating the Creation of Energy and Understanding the Properties of Nothing” which is discussed in detail. Therefore, the proposed concept in this research series provides a road map for enhancing our understating of the universe's creation from nothing and its evolution and discusses the possibility of base energy as one of the main building blocks of this universe.

Keywords: big bang, cosmic inflation, birth of universe, energy creation

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Authors: Mimeche Leila, Debabeche Mahmoud

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It is question to study and to value the possibility of settling the process of purification by plants (constructed wetland) to treat the domestic waste water of Biskra, city in a semi-arid environment with grave problems of. According to the bibliography, the process of treatment by plants is considered as more advantageous than the classic techniques. It is the use of beds with macrophytes where the purification is made by the combined action of plants and micro-organisms in a filtering bed. The micro-organisms which are aerobic bacteria and\or anaerobic have for main function to degrade the polluting materials. Plants in the macrophytes beds have for function to serve as support in the development of bacteria and to favour also their development. In this study, we present a preliminary experimental analysis of the potentialities of treatment of some macrpohytes plants, implanted in basins filled of gravel. Analyses physico chemical and bacteriological of the waste water indicate a good elimination of the polluting materials, and put in evidence the purifier power of these plants, in association with bacteria. The obtained results seem to be interesting and encourage deepening the study for other types of plants in other conditions.

Keywords: constructed wetlands, macrophytes, sewage treatment, wastewater

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Authors: Reza Sadeghi

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Storage pests with quantitative, qualitative, and hygienic losses to storage products lead to heavy damage to these products. One of the best methods of controlling storage pests is microwave heating, which is an environmentally friendly method and can be used to replace chemical methods to control storage pests. Pistachios and almonds are the most important dried fruit items in Iran, which account for a significant part of Iran's exports every year. In this study, which along with Pistachio and almond samples were exposed to microwave radiation at 320, 720, 900 watts with times of 10, 20, 30 seconds. Qualitative evaluation of product changes due to the above treatments was performed in the form of changes in colorimetric factors and organoleptic properties of the product. The results showed that in microwave treatment, power, and time factors had a significant effect on the taste and overall acceptance of pistachio product, polymer and power interaction, polymer and time, time and power had no significant effect on pistachio product quality. In almond products, the factors of polymer, time, power, interaction of polymer and power, polymer and time, and power had no significant effect on almond quality.

Keywords: microwave, qualitative, pistachio, almond

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Authors: Ezgi Yurdakul, Klaus-Alexander Rieder, Richard Sibbick

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Most of the shotcrete projects require compliance with meeting a specified early-age strength target (e.g., reaching 1 MPa in 1 hour) that is selected based on the underground conditions. To meet the desired early-age performance characteristics, accelerators are commonly used as they increase early-age strength development rate and accelerate the setting thereby reducing sagging and rebound. The selection of accelerator type and its dosage is made by the setting time and strength required for the shotcrete application. While alkaline and alkali-free accelerators are the two main types used in wet-mix shotcrete; alkali-free admixtures increasingly substitute the alkaline accelerators to improve the performance and working safety. This paper aims to evaluate the impact of alkali-free accelerators in wet-mix on various tests including set time, early and later-age compressive strength, boiled absorption, and electrical resistivity. Furthermore, the comparison between accelerated and non-accelerated samples will be made to demonstrate the interaction between cement and accelerators. Scanning electron microscopy (SEM), fluorescent resin impregnated thin section and cut and polished surface images will be used to understand the microstructure characterization of mixes in the presence of accelerators.

Keywords: accelerators, chemical admixtures, shotcrete, sprayed concrete

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Authors: Chrislaura Carmo, Luca Deiana, Mafalda Laranjo, Abilio Sobral, Armando Cordova

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Photodynamic therapy (PDT) is currently used for the treatment of malignancies and premalignant tumors. It is based on the capture of a photosensitizing molecule (PS) which, when excited by light at a certain wavelength, reacts with oxygen and generates oxidizing species (radicals, singlet oxygen, triplet species) in target tissues, leading to cell death. BODIPY (4,4-difluoro-4-bora-3a,4a-diaza-s-indaceno) derivatives are emerging as important candidates for photosensitizer in photodynamic therapy of cancer cells due to their high triplet quantum yield. Today these dyes are relevant molecules in photovoltaic materials and fluorescent sensors. In this study, it will be demonstrated the possibility that BODIPY can be covalently linked to thioglycolic acid through the click reaction. Thiol−ene click chemistry has become a powerful synthesis method in materials science and surface modification. The design of biobased allyl-terminated precursors with high renewable carbon content for the construction of the thiol-ene polymer networks is essential for sustainable development and green chemistry. The work aims to synthesize the BODIPY (10-(4-(allyloxy) phenyl)-2,8-diethyl-5,5-difluoro-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f] [1,3,2] diazaborinin-4-ium-5-uide) and to click reaction with Thioglycolic acid. BODIPY was synthesized by the condensation reaction between aldehyde and pyrrole in dichloromethane, followed by in situ complexation with BF3·OEt2 in the presence of the base. Then it was functionalized with allyl bromide to achieve the double bond and thus be able to carry out the click reaction. The thiol−ene click was performed using DMPA (2,2-Dimethoxy-2-phenylacetophenone) as a photo-initiator in the presence of UV light (320–500 nm) in DMF at room temperature for 24 hours. Compounds were characterized by standard analytical techniques, including UV-Vis Spectroscopy, 1H, 13C, 19F NMR and mass spectroscopy. The results of this study will be important to link BODIPY to polymers through the thiol group offering a diversity of applications and functionalization. This new molecule can be tested as third-generation photosensitizers, in which the dye is targeted by antibodies or nanocarriers by cells, mainly in cancer cells, PDT and Photodynamic Antimicrobial Chemotherapy (PACT). According to our studies, it was possible to visualize a click reaction between allyl BODIPY and thioglycolic acid. Our team will also test the reaction with other thiol groups for comparison. Further, we will do the click reaction of BODIPY with a natural polymer linked with a thiol group. The results of the above compounds will be tested in PDT assays on various lung cancer cell lines.

Keywords: bodipy, click reaction, thioglycolic acid, allyl, thiol-ene click

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Authors: Nancy Mahmoud, Joanna Teichert

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Nowadays, fermented milk containing probiotic microorganisms is fundamental to human health. The changes in the properties of fermented milk during storage influence the quality and consumer acceptability. This study aimed to evaluate the effect of 1.5 % of chia seeds on the chemical, physical and sensory properties of fermented cow’s and mare’s milk for two weeks at 4°C. The results showed that the pH of cow’s milk drops significantly at the 2nd hour, but mare's milk drops significantly at the 6th hour. The acidity of both types of milk increased as the storage time progressed. Adding chia seeds increased firmness significantly and improved color and consistency. A decrease in brightness (L*), an increase in redness (a*), and yellowness (b*) during storage were observed. Our study showed that the chia seeds have more effect on reducing the brightness of fermented mare milk than fermented cow milk. Analysis of taste and smell parameters showed that after adding chia seeds, the scores changed and became much higher. The sour taste of fermented milk had reduced this positively affected the acceptance of the product. Chia seeds induced beneficial effects on sensory outcomes and enhanced physiochemical properties.

Keywords: mare milk, cow milk, feremnted milk, kefir, koumiss

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Authors: Strahinja Kovačević, Jelena Vladić, Senka Vidović, Zoran Zeković, Lidija Jevrić, Sanja Podunavac Kuzmanović

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Supercritical extracts of highly valuated medicinal plant Satureja montana were prepared by application of supercritical carbon dioxide extraction in the carbon dioxide pressure range from 125 to 350 bar and temperature range from 40 to 60°C. Using GC/MS method of analysis chemical profiles (aromatic constituents) of S. montana extracts were obtained. Self-training artificial neural networks were applied to predict the retention time of the analyzed terpenes in GC/MS system. The best ANN model obtained was multilayer perceptron (MLP 11-11-1). Hidden activation was tanh and output activation was identity with Broyden–Fletcher–Goldfarb–Shanno training algorithm. Correlation measures of the obtained network were the following: R(training) = 0.9975, R(test) = 0.9971 and R(validation) = 0.9999. The comparison of the experimental and predicted retention times of the analyzed compounds showed very high correlation (R = 0.9913) and significant predictive power of the established neural network.

Keywords: ANN regression, GC/MS, Satureja montana, terpenes

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Authors: Van Tran Thi Thuy, Cheol Won Lim, Dukjoon Kim

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A series of biodegradable copolymers based on polyaspartamide (PASPAM) were synthesized by grafting hydrophilic O-(2-aminoethyl)-O'-methylpoly(ethylene glycol) (MPEG), hydrophobic cholic acid (CA), and pH-sensitive hydrazine (Hyd) segments on a PASPAM backbone. The hydrazine group was effectively cleaved to release doxorubicin (DOX) conjugated on PASPAM in an acidic environment. The chemical structure of the polymer and the degree of substitution of each graft segment were analyzed using FT-IR and 1H-NMR spectroscopy. The size of the MPEG/Hyd/CA-g-PASPAM copolymer self-aggregates was examined by dynamic light scattering (DLS) and transmission electron microscope (TEM). The mean diameter of the self - aggregates increased from 125 to 200 nm at pH 7.4, as the degree of substitution of CA increased from 10 to 20 %. The release kinetics of DOX was strongly affected by the pH of the releasing medium. While less than 30% of the DOX-loaded was released in about 30 h at pH 7.4, more than 60% was released at pH 5.0 within the same time. The viability tests of human breast cancer cells (MCF-7) and human embryonic kidney cells (293T) show the potential application of MPEG/Hyd/CA-g-PASPAM copolymer self-aggregates in the controlled intracellular delivery for cancer treatments.

Keywords: pH-sensitive, drug delivery, polyaspartamide, self-assembly, nano-aggregates

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Authors: M. N. Hanina, M. Hairul Shahril, I. Ismatul Nurul Asyikin, A. K. Abdul Jalil, M. R. Salina, M. R. Maryam, M. Rosfarizan

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The extracellular proteins secreted by bacteria may be increased in stressful surroundings, such as in the presence of antibiotics. It appears that many antibiotics, when used at low concentrations, have in common the ability to activate or repress gene transcription, which is distinct from their inhibitory effect. There have been comparatively few studies on the potential of antibiotics as a specific chemical signal that can trigger a variety of biological functions. Therefore, this study was carried out to determine the effect of Streptomycin Sulfate in regulating extracellular proteins secreted by Bacillus subtilis ATCC21332. Results of Microdilution assay showed that the Minimum Inhibition Concentration (MIC) of Streptomycin Sulfate on B. subtilis ATCC21332 was 2.5 mg/ml. The bacteria cells were then exposed to Streptomycin Sulfate at concentration of 0.01 MIC before being further incubated for 48h to 72 h. The extracellular proteins secreted were then isolated and analyzed by sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE). Proteins profile revealed that three additional bands with approximate sizes of 30 kDa, 22 kDa and 23 kDa were appeared for the treated bacteria with Streptomycin Sulfate. Thus, B. subtilis ATCC21332 in stressful condition with the presence of Streptomycin Sulfate at low concentration could induce the extracellular proteins secretion.

Keywords: Bacillus subtilis ATCC21332, streptomycin sulfate, extracellular proteins, antibiotics

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Authors: Reza Gheisari, Paulo J. Bartolo, Nicholas Goddard

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Polymeric micro-cantilevers (Cs) are rapidly becoming popular for MEMS applications such as chemo- and bio-sensing as well as purely electromechanical applications such as microrelays. Polymer materials present suitable physical and chemical properties combined with low-cost mass production. Hence, micro-cantilevers made of polymers indicate much more biocompatibility and adaptability of rapid prototyping along with mechanical properties. This research studies the effects of three process and one size factors on the filling behaviour in micro cavity, and the role of each in the replication of micro parts using different polymer materials i.e. polypropylene (PP) SABIC 56M10 and acrylonitrile butadiene styrene (ABS) Magnum 8434. In particular, the following factors are considered: barrel temperature, mould temperature, injection speed and the thickness of micro features. The study revealed that the barrel temperature and the injection speed are the key factors affecting the flow length of micro features replicated in PP and ABS. For both materials, an increase of feature sizes improves the melt flow. However, the melt fill of micro features does not increase linearly with the increase of their thickness.

Keywords: flow length, micro cantilevers, micro injection moulding, microfabrication

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Authors: Bernard Bladergroen, David Vlotman, Bradley Cerff

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The agricultural sector is one which requires and consumes large amounts of water globally. Commercial wine production, in particular, uses extensive volumes of fresh water and generates significant volumes of wastewater through various processes. The wastewater produced by wineries typically exhibits elevated levels of chemical oxygen demand (COD), total suspended solids (TSS), total dissolved solids (TDS), acidic pH and varying salinity and nutrient contents. This study investigates the performance of a shear-enhanced flotation separation (SEFS) pilot plant as a primary treatment stage during winery wastewater processing by modifying a conventional Dissolved Air Flotation (DAF) system. The SEFS pilot plant achieved a 99% reduction in both turbidity and TSS in comparison to the 97% achieved with the conventional DAF system. The COD was reduced by 66% and 51% for the SEFS and DAF systems, respectively. SEFS shows the advantages of hydrodynamic shear to enhance the coagulation and subsequent flocculation processes with a significant reduction of coagulant and flocculant (36% and 31%, respectively).

Keywords: shear enhanced flotation, suspended solids, primary wastewater treatment, zeta potential

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Authors: Margarita Dufresne

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This study devoted to development TPS for small space re-usable launchers. We have used SIRIUS design for S1 prototype. Multiphysics coupling for hypersonic reactive flow and thermos-structural analysis with and without ablation is provided by -CCM+ and COMSOL Multiphysics and FASTRAN and ACE+. Flow around hypersonic flight vehicles is the interaction of multiple shocks and the interaction of shocks with boundary layers. These interactions can have a very strong impact on the aeroheating experienced by the flight vehicle. A real gas implies the existence of a gas in equilibrium, non-equilibrium. Mach number ranged from 5 to 10 for first stage flight.The goals of this effort are to provide validation of the iterative coupling of hypersonic physics models in STAR-CCM+ and FASTRAN with COMSOL Multiphysics and ACE+. COMSOL Multiphysics and ACE+ are used for thermal structure analysis to simulate Conjugate Heat Transfer, with Conduction, Free Convection and Radiation to simulate Heat Flux from hypersonic flow. The reactive simulations involve an air chemical model of five species: N, N2, NO, O and O2. Seventeen chemical reactions, involving dissociation and recombination probabilities calculation include in the Dunn/Kang mechanism. Forward reaction rate coefficients based on a modified Arrhenius equation are computed for each reaction. The algorithms employed to solve the reactive equations used the second-order numerical scheme is obtained by a “MUSCL” (Monotone Upstream-cantered Schemes for Conservation Laws) extrapolation process in the structured case. Coupled inviscid flux: AUSM+ flux-vector splitting The MUSCL third-order scheme in STAR-CCM+ provides third-order spatial accuracy, except in the vicinity of strong shocks, where, due to limiting, the spatial accuracy is reduced to second-order and provides improved (i.e., reduced) dissipation compared to the second-order discretization scheme. initial unstructured mesh is refined made using this initial pressure gradient technique for the shock/shock interaction test case. The suggested by NASA turbulence models are the K-Omega SST with a1 = 0.355 and QCR (quadratic) as the constitutive option. Specified k and omega explicitly in initial conditions and in regions – k = 1E-6 *Uinf^2 and omega = 5*Uinf/ (mean aerodynamic chord or characteristic length). We put into practice modelling tips for hypersonic flow as automatic coupled solver, adaptative mesh refinement to capture and refine shock front, using advancing Layer Mesher and larger prism layer thickness to capture shock front on blunt surfaces. The temperature range from 300K to 30 000 K and pressure between 1e-4 and 100 atm. FASTRAN and ACE+ are coupled to provide high-fidelity solution for hot hypersonic reactive flow and Conjugate Heat Transfer. The results of both approaches meet the CIRCA wind tunnel results.

Keywords: hypersonic, first stage, high speed compressible flow, shock wave, aerodynamic heating, conugate heat transfer, conduction, free convection, radiation, fastran, ace+, comsol multiphysics, star-ccm+, thermal protection system (tps), space launcher, wind tunnel

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Authors: Jeffrey M. Catchmark, Parisa Nazema, Caini Chen, Wei-Shu Lin

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Sustainable and environmentally compatible materials are needed for a wide variety of volume commercial applications. Current synthetic materials such as plastics, fluorochemicals (such as PFAS), adhesives and resins in form of sheets, laminates, coatings, foams, fibers, molded parts and composites are used for countless products such as packaging, food handling, textiles, biomedical, construction, automotive and general consumer devices. Synthetic materials offer distinct performance advantages including stability, durability and low cost. These attributes are associated with the physical and chemical properties of these materials that, once formed, can be resistant to water, oils, solvents, harsh chemicals, salt, temperature, impact, wear and microbial degradation. These advantages become disadvantages when considering the end of life of these products which generate significant land and water pollution when disposed of and few are recycled. Agriculturally and biologically derived polymers offer the potential of remediating these environmental and life-cycle difficulties, but face numerous challenges including feedstock supply, scalability, performance and cost. Such polymers include microbial biopolymers like polyhydroxyalkanoates and polyhydroxbutirate; polymers produced using biomonomer chemical synthesis like polylactic acid; proteins like soy, collagen and casein; lipids like waxes; and polysaccharides like cellulose and starch. Although these materials, and combinations thereof, exhibit the potential for meeting some of the performance needs of various commercial applications, only cellulose and starch have both the production feedstock volume and cost to compete with petroleum derived materials. Over 430 million tons of plastic is produced each year and plastics like low density polyethylene cost ~$1500 to $1800 per ton. Over 400 million tons of cellulose and over 100 million tons of starch are produced each year at a volume cost as low as ~$500 to $1000 per ton with the capability of increased production. Cellulose and starches, however, are hydroscopic materials that do not exhibit the needed performance in most applications. Celluloses and starches can be chemically modified to contain positive and negative surface charges and such modified versions of these are used in papermaking, foods and cosmetics. Although these modified polysaccharides exhibit the same performance limitations, recent research has shown that composite materials comprised of cationic and anionic polysaccharides in polyelectrolyte complexation exhibit significantly improved performance including stability in diverse environments. Moreover, starches with added plasticizers can exhibit thermoplasticity, presenting the possibility of improved thermoplastic starches when comprised of starches in polyelectrolyte complexation. In this work, the potential for numerous volume commercial products based on polysaccharide polyelectrolyte complexes (PPCs) will be discussed, including the engineering design strategy used to develop them. Research results will be detailed including the development and demonstration of starch PPC compositions for paper coatings to replace PFAS; adhesives; foams for packaging, insulation and biomedical applications; and thermoplastic starches. In addition, efforts to demonstrate the potential for volume manufacturing with industrial partners will be discussed.

Keywords: biomaterials engineering, commercial materials, polysaccharides, sustainable materials

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Authors: S. Forel, F. Bouanis, L. Catala, I. Florea, V. Huc, F. Fossard, A. Loiseau, C. Cojocaru

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Single wall carbon nanotubes are seen as excellent candidate for application on nanoelectronic devices because of their remarkable electronic and mechanical properties. These unique properties are highly dependent on their chiral structures and the diameter. Therefore, structure controlled growth of SWNTs, especially directly on final device’s substrate surface, are highly desired for the fabrication of SWNT-based electronics. In this work, we present a new approach to control the diameter of SWNTs and eventually their chirality. Because of their potential to control the SWNT’s chirality, bi-metalics nanoparticles are used to prepare alloy nanoclusters with specific structure. The catalyst nanoparticles are pre-formed following a previously described process. Briefly, the oxide surface is first covered with a SAM (self-assembled monolayer) of a pyridine-functionalized silane. Then, bi-metallic (Fe-Ru, Co-Ru and Ni-Ru) complexes are assembled by coordination bonds on the pre-formed organic SAM. The resultant alloy nanoclusters were then used to catalyze SWNTs growth on SiO2/Si substrates via CH4/H2 double hot-filament chemical vapor deposition (d-HFCVD). The microscopy and spectroscopy analysis demonstrate the high quality of SWNTs that were furthermore integrated into high-quality SWNT-FET.

Keywords: nanotube, CVD, device, transistor

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Authors: YongSeok Choi, HwaYoung Seo, InSu Whang, GeogKee Park

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Frankliniella. occidentalis is major pest in chrysanthemum in worldwide. The density of F. occidentalis increased continuously in spite of the periodical chemical control after planting in this study. F. occidentalis began to increase mid-May. The numbers of F. occidentalis collected on a tray with wet paper by heating the flowers of pink, white, and yellow Chrysanthemum standard mums were 18.4, 56.6, and 52.6 in the flowering season. Also, the numbers were 15.2, 45.8, and 41.6 in bud season, but in the case of the leaves, the numbers were 2, 8.8 and 3.4. In the Y-tube olfactometer test, the frequency of F. occidentalis’ visits to one side arm of the Y-tube olfactometer was higher in the odor cue of the white flower than of the yellow, red, and violet flowers, but the frequency was higher in the odor cue of the violet and red flowers than of the yellow without white. In the case of the four-choice olfactometer test, in the same visual cues as the odor cues of the pot mum flowers, the frequency of F. occidentalis was higher in the yellow flower than in the other flowers (white, red, and violet) in all the observation times (10, 15, and 20 minutes).

Keywords: Frankliniella occidentalis, Chrysanthemum, trap plant, control effect

Procedia PDF Downloads 188

Authors: Saad M. Howladar, Ashraf Sh. Osman, Mostafa M. Rady, Hassan S. Al-Zahrani

Abstract:

The effects of soil inoculation with phosphorien-containing Phosphate-Dissolving Bacteria (PDB) and/or magnesium (Mg) foliar application at the rates of 0, 0.5 and 1mM on growth, green pod and seed yields, and chemical constituents of Pisum sativum L. grown on a sandy calcareous soil were investigated. Results indicated that PDB and/or Mg significantly increased shoot length, number of branches plant–1, total leaf area plant–1 and canopy dry weight plant–1, leaf contents of pigments, soluble sugars, free proline, nitrogen, phosphorus, potassium, magnesium, and calcium, and Ca/Na ratio, while leaf Na content was reduced. PDB and/or Mg also increased green pod and seed yields. We concluded that PDB and Mg have pronounced positive effects on Pisum sativum L. plants grown on sandy calcareous soil. PDB and Mg, therefore, have the potential to be applied for various crops to overcome the adverse effects of the newly-reclaimed sandy calcareous soils.

Keywords: bio-p-fertilizer, mg foliar application, newly-reclaimed soils, Pisum sativum L.

Procedia PDF Downloads 362

Authors: Budi Hastuti, Mudasir, Dwi Siswanta, Triyono

Abstract:

Biosorbent, such as pectin and chitosan, are usually produced with low physical stability, thus the materials need to be modified. In this research, the physical characteristic of adsorbent was increased by grafting chitosan using acetate carboxymetyl chitosan (CC). Further, CC and Pectin (Pec) were crosslinked using cross-linking agent BADGE (bis phenol A diglycidyl ether) to get CC-Pec-BADGE (CPB) adsorbent. The cross-linking processes aim to form stable structure and resistance on acidic media. Furthermore, in order to increase the adsorption capacity in removing Pb(II), the adsorbent was added with NaCl to form macroporous adsorbent named CCPec-BADGE-Na (CPB-Na). The physical and chemical characteristics of the porogenic adsorbent structure were characterized by scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR). The adsorption parameter of CPB-Na to adsorb Pb(II) ion was determined. The kinetics and thermodynamics of the bath sorption of Pb(II) on CPB-Na adsorbent and using chitosan and pectin as a comparison were also studied. The results showed that the CPB-Na biosorbent was stable on acidic media. It had a rough and porous surface area, increased and gave higher sorption capacity for removal of Pb(II) ion. The CPB-Na 1/1 and 1/3 adsorbent adsorbed Pb(II) with adsorption capacity of 45.48 mg/g and 45.97 mg/g respectively, whereas pectin and chitosan were of 39.20 mg /g and 24.67 mg /g respectively.

Keywords: porogen, Pectin, Carboxymethyl Chitosan (CC), CC- Pec-BADGE-Na

Procedia PDF Downloads 158

Authors: A. Benmoussa, M. Bouanini, M. Rebhi

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The mixing and agitation of fluid in stirred tank is one of the most important unit operations for many industries such as chemical, biotechnological, pharmaceutical, petrochemical, cosmetic, and food processing. Therefore, determining the level of mixing and overall behaviour and performance of the mixing tanks are crucial from the product quality and process economics point of views. The most fundamental needs for the analysis of these processes from both a theoretical and industrial perspective is the knowledge of the hydrodynamic behaviour and the flow structure in such tanks. Depending on the purpose of the operation carried out in mixer, the best choice for geometry of the tank and agitator type can vary widely. Initially, a local and global study namely the velocity and power number on a typical agitation system agitated by a mobile-type two-blade straight (d/D=0.5) allowed us to test the reliability of the CFD, the result were compared with those of experimental literature, a very good concordance was observed. The stream function, the velocity profile, the velocity fields and power number are analyzed. It was shown that the hydrodynamics is modified by the curvature of the mobile which plays a key role.

Keywords: agitated tanks, curved blade agitator, laminar flow, CFD modelling

Procedia PDF Downloads 416

Authors: Manoj Kumar

Abstract:

Ionization cross sections of molecules due to electron impact play an important role in chemical processes in various branches of applied physics, such as radiation chemistry, gas discharges, plasmas etching in semiconductors, planetary upper atmospheric physics, mass spectrometry, etc. In the present work, we have calculated the total ionization cross sections for Adenine (C₅H₅N₅), a biologically important molecule, by electron impact in the incident electron energy range from ionization threshold to 2 keV employing a well-known Jain-Khare semiempirical formulation based on Bethe and Möllor cross sections. In the non-availability of the experimental results, the present results are in good agreement qualitatively as well as quantitatively with available theoretical results. The present results drive our confidence for further investigation of complex bio-molecule with better accuracy. Notwithstanding, the present method can deduce reliable cross-sectional data for complex targets with adequate accuracy and may facilitate the acclimatization of calculated cross-sections into atomic molecular cross-section data sets for modeling codes and other applications.

Keywords: electron impact ionization cross-sections, oscillator strength, jain-khare semiempirical approach

Procedia PDF Downloads 111

Authors: Ella C. Linganiso, Bonex W. Mwakikunga, Trilock Singh, Sanjay Mathur, Odireleng M. Ntwaeaborwa

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The use of nanostructured semiconducting material to catalyze degradation of environmental pollutants still receives much attention to date. One of the desired characteristics for pollutant degradation under ultra-violet visible light is the materials with extended carrier charge separation that allows for electronic transfer between the catalyst and the pollutants. In this work, zinc oxide n-type semiconductor vertically aligned structures were fabricated on silicon (100) substrates using the chemical bath deposition method. The as-synthesized structures were treated with nickel and sulphur. X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy were used to characterize the phase purity, structural dimensions and elemental composition of the obtained structures respectively. Photoluminescence emission measurements showed a decrease in both the near band edge emission as well as the defect band emission upon addition of nickel and sulphur with different concentrations. This was attributed to increased charger-carrier-separation due to the presence of Ni-S material on ZnO surface, which is linked to improved charge transfer during photocatalytic reactions.

Keywords: Carrier-charge-separation, nickel, photoluminescence, sulphur, zinc oxide

Procedia PDF Downloads 308

Authors: Mesfin Angaw Tesfay

Abstract:

L-xylose is an important intermediate in the pharmaceutical industry, playing a key role in the production of various antiviral and anticancer drugs. Despite its significance, L-xylose is a rare and costly sugar with limited availability in nature. In recent years, enzymatic production methods have garnered considerable attention due to their benefits over conventional chemical synthesis. In this research, a dual enzyme cascade system was developed to synthesize L-xylose from an inexpensive substrate, xylitol. The study involved cloning and co-expressing two key genes: the L-fucose isomerase (L-fucI) gene from Escherichia coli K-12 and the xylitol-4-dehydrogenase (xdh) gene from Pantoea ananatis ATCC 43072 in Escherichia coli. The resulting recombinant cells, engineered with the PET28a-xdh/L-fucI vector, were able to effectively convert xylitol to L-xylose. The system showed optimal performance at 40°C and a pH of 10.0. Moreover, Zn²⁺ (7.5 mM) enhanced the catalytic activity by 1.34 times. This approach yielded 52.2 g/L of L-xylose from an initial 80 g/L xylitol concentration, with a 65% conversion efficiency and a productivity rate of 1.86. The study highlights a practical method for producing L-xylose from xylitol through a co-expression system carrying the L-fucI and xdh genes.

Keywords: l-fucose isomerase, xylitol-4-dehydrogenase, l-xylose, xylitol, co-expression

Procedia PDF Downloads 25

Authors: Didem Can

Abstract:

Scheduling problems are one of the most fundamental issues of production systems. Many different approaches and models have been developed according to the production processes of the parts and the main purpose of the problem. In this study, one of the bottleneck stations of a company serving in the aerospace industry is analyzed and considered as a single machine scheduling problem with sequence-dependent setup times. The objective of the problem is assigning a large number of similar parts to the same shift -to reduce chemical waste- while minimizing the number of tardy jobs. The goal programming method will be used to achieve two different objectives simultaneously. The assignment of parts to the shift will be expressed using the integer programming method. Finally, the constraint programming method will be used as it provides a way to find a result in a short time by avoiding worse resulting feasible solutions with the defined variables set. The model to be established will be tested and evaluated with real data in the application part.

Keywords: constraint programming, goal programming, integer programming, sequence-dependent setup, single machine scheduling

Procedia PDF Downloads 237

Authors: Atrin Barzegar, Yas Barzegar, Stefano Marrone, Francesco Bellini, Laura Verde

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The aim of this research is to develop an intelligent system to analyze the risk level of wheat flour product manufacturing system. The model consists of five Fuzzy Inference Systems in two different layers to analyse the risk of a wheat flour product manufacturing system. The first layer of the model consists of four Fuzzy Inference Systems with three criteria. The output of each one of the Physical, Chemical, Biological and Environmental Failures will be the input of the final manufacturing systems. The proposed model based on Mamdani Fuzzy Inference Systems gives a performance ranking of wheat flour products manufacturing systems. The first step is obtaining data to identify the failure modes from expert’s opinions. The second step is the fuzzification process to convert crisp input to a fuzzy set., then the IF-then fuzzy rule applied through inference engine, and in the final step, the defuzzification process is applied to convert the fuzzy output into real numbers.

Keywords: failure modes, fuzzy rules, fuzzy inference system, risk assessment

Procedia PDF Downloads 75