Search results for: mineral composition.

Authors: H.K. Luk, Y.M. Lai, L. Qin, C.W. Chan, Z. Liu, Y.P. Huang, Y.P. Zheng

Abstract:

Ultrasound is useful in demonstrating bone mineral density of regenerating osseous tissue as well as structural alterations. A proposed ultrasound method, which included ultrasonography and acoustic parameters measurement, was employed to evaluate its efficacy in monitoring the bone callus changes in a rabbit tibial distraction osteogenesis (DO) model. The findings demonstrated that ultrasonographic images depicted characteristic changes of the bone callus, typical of histology findings, during the distraction phase. Follow-up acoustic parameters measurement of the bone callus, including speed of sound, reflection and attenuation, showed significant linear changes over time during the distraction phase. The acoustic parameters obtained during the distraction phase also showed moderate to strong correlation with consolidated bone callus density and micro-architecture measured by micro-computed tomography at the end of the consolidation phase. The results support the preferred use of ultrasound imaging in the early monitoring of bone callus changes during DO treatment.

Keywords: Bone Callus Growth, Rabbit Tibial DistractionOsteogenesis, Ultrasonography, Ultrasonometry

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Authors: V. Thamizh Arasan, G. Dhivya

Abstract:

Traffic Density provides an indication of the level of service being provided to the road users. Hence, there is a need to study the traffic flow characteristics with specific reference to density in detail. When the length and speed of the vehicles in a traffic stream vary significantly, the concept of occupancy, rather than density, is more appropriate to describe traffic concentration. When the concept of occupancy is applied to heterogeneous traffic condition, it is necessary to consider the area of the road space and the area of the vehicles as the bases. Hence, a new concept named, 'area-occupancy' is proposed here. It has been found that the estimated area-occupancy gives consistent values irrespective of change in traffic composition.

Keywords: Density Measurement, Heterogeneity, Occupancy, Traffic Flow.

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Authors: Tatyana Alexandrova, Alexandr Alexandrov, Nadezhda Nikolaeva

Abstract:

A problem of complex mineral resources development is urgent and priority, it is aimed at realization of the processes of their ecologically safe development, one of its components is revealing the influence of the forms of element compounds in raw materials and in the processing products. In view of depletion of the precious metal reserves at the traditional deposits in the XXI century the large-size open cast deposits, localized in black shale strata begin to play the leading role. Carbonaceous (black) shales carry a heightened metallogenic potential. Black shales with high content of carbon are widely distributed within the scope of Bureinsky massif. According to academician Hanchuk`s data black shales of Sutirskaya series contain generally PGEs native form. The presence of high absorptive towards carbonaceous matter gold and PGEs compounds in crude ore results in decrease of valuable components extraction because of their sorption into dissipated carbonaceous matter.

Keywords: Сarbonaceous rocks, bitumens, precious metals, concentration, extraction.

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Authors: Klara Krizova, Rudolf Hela

Abstract:

The topic of the article focuses on the evaluation of selected technological factors and their influence on resulting elasticity modulus of concrete. A series of various factors enter into the manufacturing process which, more or less, influences the elasticity modulus. This paper presents the results of concrete in which the influence of water coefficient and the size of maximum fraction of the aggregate on the static elasticity modulus were monitored. Part of selected results of the long-term programme was discussed in which a wide scope of various variants of proposals for the composition of concretes was evaluated.

Keywords: Mix design, water-cement ratio, aggregate, modulus of elasticity.

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Authors: B. A. Lawal, A. G. Ojanuga, P. A. Tsado, A. Mohammed

Abstract:

This work assessed some properties of three pedons on a toposequence in Ijah-Gbagyi district in Niger State, Nigeria. The pedons were designated as JG1, JG2 and JG3 representing the upper, middle and lower slopes respectively. The surface soil was characterized by dark yellowish brown (10YR3/4) color at the JG1 and JG2 and very dark grayish brown (10YR3/2) color at JG3. Sand dominated the mineral fraction and its content in the surface horizon decreased down the slope, whereas silt content increased down the slope due to sorting by geological and pedogenic processes. Although organic carbon (OC), total nitrogen (TN) and available phosphorus (P) were rated high, TN and available P decreased down the slope. High cation exchange capacity (CEC) was an indication that the soils have high potential for plant nutrients retention. The pedons were classified as Typic Haplustepts/ Haplic Cambisols (Eutric), Plinthic Petraquepts/ Petric Plinthosols (Abruptic) and Typic Endoaquepts/ Endogleyic Cambisols (Endoclayic).

Keywords: Ecological region, landscape positions, soil characterization, soil classification.

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Authors: Han Run-Sheng, Li Wen-Yao, Wang Feng, Liu Fei, Qiu Wen-Long, Lei Li

Abstract:

Accurately positioning detection of concealed deposits or ore-bodies is one of the difficult problems in mineral exploration field. Theory calculation and exploration practices for tunnel gravity indicate that 3D high-precision Tunnel Gravity Exploration Method (TGEM) can find concealed high-density three-dimensional ore-bodies in the depth. The ore-finding breakthroughs at the depth of the Zhaotong Maoping carbonate-hosted Zn–Pb–(Ag–Ge) deposit in Northeastern Yunnan have proved that the exploration method in combination with MEAHFZ method is effective to detect concealed high-density ore-bodies. TGEM may overcome anomalous ambiguity of other geophysical methods for 3D positioning of concealed ore-bodies.

Keywords: 3D tunnel gravity exploration method, concealed high-density ore-bodies, Zn–Pb–(Ag–Ge) deposit, Zaotong Maoping, Northeastern Yunnan.

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Authors: K. A. Mistry, I. B. Patel, A. H. Prajapati

Abstract:

In the present work, the alloy of Bismuth-lead is prepared on the basis of percentage of molecular weight 9:1, 5:5 and 1:9 ratios and grown by Zone- Refining Technique under a vacuum atmosphere. The EDAX of these samples are done and the results are reported. Micro hardness test has been used as an alternative test for measuring material’s tensile properties. The effect of temperature and load on the hardness of the grown alloy has been studied. Further the comparative studies of work hardening coefficients are reported.

Keywords: EDAX, hardening coefficient, Micro hardness, Bi-Pb alloy.

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Authors: Bahareh Khezri, Richard D. Webster

Abstract:

In Southeast Asia, during the dry season (August to October) forest fires in Indonesia emit pollutants into the atmosphere. For two years during this period, a total of 67 samples of 2.5 μm particulate matters were collected and analyzed for total mass and elemental composition with ICP - MS after microwave digestion. A study of 60 elements measured during these periods suggest that the concentration of most of elements, even those usually related to crustal source, are extremely high and unpredictable during the haze period. In By contrast, trace element concentration in non - haze months is more stable and covers a lower range. Other unexpected events and their effects on the findings are discussed.

Keywords: Haze, ICP - MS, Particulate Patter, Transboundary Air Pollution.

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Authors: Eugenie A. Kachvoryan, Astghik Z. Pepoyan, Maria V. Harutyunova, Anahit M. Manvelyan

Abstract:

Taking into account the importance of Lake Sevan and Lake Sevan basin-s rivers for Armenian economy, the main goals of our investigations were the documentation of water quality and the biodiversity of invertebrates developed in Lake Sevan basin-s rivers and selected tributaries. Moderately satisfied ecological condition for the biodiversity of Lake Sevan basin-s rivers has been established, and the changes in species- composition of zoobenthos in Lake Sevan were detected. A growing tendency of antibiotic resistance among E. coli isolates in water resources has been shown.

Keywords: Biodiversity, ecosystem, Lake Sevan, water-quality, zoobenthos.

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Authors: Chien-Hua Wang, Meng-Ying Chou, Chin-Tzong Pang

Abstract:

This paper applies fuzzy AHP to evaluate the service quality of online auction. Service quality is a composition of various criteria. Among them many intangible attributes are difficult to measure. This characteristic introduces the obstacles for respondents on reply in the survey. So as to overcome this problem, we invite fuzzy set theory into the measurement of performance and use AHP in obtaining criteria. We found the most concerned dimension of service quality is Transaction Safety Mechanism and the least is Charge Item. Other criteria such as information security, accuracy and information are too vital.

Keywords: Fuzzy set theory, AHP, Online auction, Service quality

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Authors: Xiaohuan Li, Wangmin Yi, Xinghui Wu

Abstract:

In order to verify the performance of lunar lander structure, landing-impact test is urgently needed. And the test equipment is necessary for the test. The functions and the key points of the equipment are presented to satisfy the requirements of the test, and the design scheme is proposed. The composition, the major function and the critical parts’ design of the equipment are introduced. By the load test of releasing device and single-beam hoist, and the compatibility test of landing-impact testing system, the rationality and reliability of the equipment is proved.

Keywords: Landing-impact test, lunar lander, releasing device, test equipment.

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Authors: Candido. R.G., Godoy, G.G., Gonçalves, A.R

Abstract:

To produce sugar and ethanol, sugarcane processing generates several agricultural residues, being straw and bagasse is considered as the main among them. And what to do with this residues has been subject of many studies and experiences in an industry that, in recent years, highlighted by the ability to transform waste into valuable products such as electric power. Cellulose is the main component of these materials. It is the most common organic polymer and represents about 1.5 x 1012 tons of total production of biomass per year and is considered an almost inexhaustible source of raw material. Pretreatment with mineral acids is one of the most widely used as stage of cellulose extraction from lignocellulosic materials for solubilizing most of the hemicellulose content. This study had as goal to find the best reaction time of sugarcane bagasse pretreatment with sulfuric acid in order to minimize the losses of cellulose concomitantly with the highest possible removal of hemicellulose and lignin. It was found that the best time for this reaction was 40 minutes, in which it was reached a loss of hemicelluloses around 70% and lignin and cellulose, around 15%. Over this time, it was verified that the cellulose loss increased and there was no loss of lignin and hemicellulose.

Keywords: cellulose, acid pretreatment, hemicellulose removal, sugarcane bagasse

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Authors: N. Dahbi, D-E. Arafah

Abstract:

Cd_1−xZn_xS thins films have been fabricated from ZnS/CdS/ZnS multilayer thin film systems, by using the vacuum deposition method; the Rutherford backscattering (RBS) technique have been applied in order to determine the: structure, composition, depth profile, and stoichiometric of these films. The influence of the chemical and heat treatments on the produced films also have been investigated; the RBS spectra of the films showed that homogenous Cd_1−xZn_xS can be synthesized with x=0.45.

Keywords: Cd1−xZnxS, chemical treatment, depth profile, heat treatment, RBS, RUMP simulation, thin film, vacuum deposition, ZnS/CdS/ZnS.

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Authors: Hamed Homaei, Iraj Mahdavi, Ali Tajdin

Abstract:

One of the main concerns of miners is to increase the quality level of their products because the mining metals price depends on their quality level; however, increasing the quality level of these products has different costs at different levels of the supply chain. These costs usually increase after extractor level. This paper studies the coordination issue of a decentralized three-level supply chain with one supplier (extractor), one mineral processor and one manufacturer in which the increasing product quality level cost at the processor level is higher than the supplier and at the level of the manufacturer is more than the processor. We identify the optimal product quality level for each supply chain member by designing a revenue sharing contract. Finally, numerical examples show that the designed contract not only increases the final product quality level but also provides a win-win condition for all supply chain members and increases the whole supply chain profit.

Keywords: Three-stage supply chain, product quality improvement, channel coordination, revenue sharing.

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Authors: A. Buzzanca, G. Castellano, A.M. Fanelli

Abstract:

In this paper we address the problem of musical style classification, which has a number of applications like indexing in musical databases or automatic composition systems. Starting from MIDI files of real-world improvisations, we extract the melody track and cut it into overlapping segments of equal length. From these fragments, some numerical features are extracted as descriptors of style samples. We show that a standard Bayesian classifier can be conveniently employed to build an effective musical style classifier, once this set of features has been extracted from musical data. Preliminary experimental results show the effectiveness of the developed classifier that represents the first component of a musical audio retrieval system

Keywords: Musical style, Bayesian classifier.

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Authors: Farshad Kheiri

Abstract:

Iran Central Plateau encompasses a large proportion of this country. The weather in these flat plains is warm and arid with very little precipitation. Different attempts in architecture have been done to alleviate the weather severity of this area and create a living place compatible with humans’ comfort criteria. Investigations have showed that some of the most successful approaches in traditional architecture of the area has been forgotten or are not being used widely. As sustainability is defined as an appropriate solution for environmental, economical, and social disorders, this research is a try to demonstrate the sustainability in aforementioned architecture and based on these studies, propounds solutions for today architecture in hot arid zones.

Keywords: Hot arid climatic zone, Iranian Architecture, Sustainability, Vernacular architecture.

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Authors: Alessio Mastrorillo, Giuseppe Silvi, Francesco Scagliola

Abstract:

This paper explores the decoding of Ambisonics material into 2-channel mixing formats, addressing challenges related to stereo speakers and headphones. We present the Universal HJ (UHJ) format as a solution, enabling the preservation of the entire horizontal plane and offering versatile spatial audio experiences. Our paper presents a UHJ format decoder, explaining its design, computational aspects, and empirical optimization. We discuss the advantages of UHJ decoding, potential applications, and its significance in music composition. Additionally, we highlight the integration of this decoder within the Envelop for Live (E4L) suite.

Keywords: Ambisonics, UHJ, quadrature filter, virtual reality, Gerzon, decoder, stereo, binaural, biquad.

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Authors: K. Arroudj, M. Lanez, M. N. Oudjit

Abstract:

The introduction of siliceous mineral additions in cement production allows, in addition to the ecological and economic gain, improvement of concrete performance. This improvement is mainly due to the fixing of Portlandite, released during the hydration of cement, by fine siliceous, forming denser calcium silicate hydrates and therefore a more compact cementitious matrix. This research is part of the valuation of the Dune Sand (DS) in the cement industry in Algeria. The high silica content of DS motivated us to study its effect, at ground state, on the properties of mortars in fresh and hardened state. For this purpose, cement pastes and mortars based on ground dune sand (fine quartz) has been analyzed with a replacement to cement of 15%, 20% and 25%. This substitution has reduced the amount of heat of hydration and avoids any risk of initial cracking. In addition, the grinding of the dune sand provides amorphous thin populations adsorbed at the surface of the crystal particles of quartz. Which gives to ground quartz pozzolanic character. This character results an improvement of mechanical strength of mortar (66 MPa in the presence of 25% of ground quartz).

Keywords: Mineralogical structure, Pozzolanic reactivity, quartz, mechanical strength.

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Authors: Naira Sahakyan, Margarit Petrosyan, Armen Trchounian

Abstract:

One of the tasks in contemporary biotechnology, pharmacology and other fields of human activities is to obtain biologically active substances from plants. They are very essential in the treatment of many diseases due to their actually high therapeutic value without visible side effects. However, sometimes the possibility of obtaining the metabolites is limited due to the reduction of wild-growing plants. That is why the plant cell cultures are of great interest as alternative sources of biologically active substances. Besides, during the monitored cultivation, it is possible to obtain substances that are not synthesized by plants in nature. Isolated culture of Ajuga genevensis with high growth activity and ability of regeneration was obtained using MS nutrient medium. The agar-diffusion method showed that aqueous extracts of callus culture revealed high antimicrobial activity towards various gram-positive (Bacillus subtilis A1WT; B. mesentericus WDCM 1873; Staphylococcus aureus WDCM 5233; Staph. citreus WT) and gram-negative (Escherichia coli WKPM M-17; Salmonella typhimurium TA 100) microorganisms. The broth dilution method revealed that the minimal and half maximal inhibitory concentration values against E. coli corresponded to the 70 μg/mL and 140 μg/mL concentration of the extract respectively. According to the photochemiluminescent analysis, callus tissue extracts of leaf and root origin showed higher antioxidant activity than the same quantity of A. genevensis intact plant extract. A. genevensis intact plant and callus culture extracts showed no cytotoxic effect on K-562 suspension cell line of human chronic myeloid leukemia. The GC-MS analysis showed deep differences between the qualitative and quantitative composition of callus culture and intact plant extracts. Hexacosane (11.17%); n-hexadecanoic acid (9.33%); and 2-methoxy-4-vinylphenol (4.28%) were the main components of intact plant extracts. 10-Methylnonadecane (57.0%); methoxyacetic acid, 2-tetradecyl ester (17.75%) and 1-Bromopentadecane (14.55%) were the main components of A. genevensis callus culture extracts. Obtained data indicate that callus culture of A. genevensis can be used as an alternative source of biologically active substances.

Keywords: Ajuga genevensis, antibacterial activity, antioxidant activity, callus cultures.

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Authors: Rabia Göçmen, Gülşah Kanbur, Sinan Sefa Parlat

Abstract:

This study was conducted to determine that carrot powder obtain by different drying methods (oven and vacuum-freeze dryer) of carrot unfit for human consumption that whether feed additives in animal nutrition or not. Carrots randomly divided 2 groups. First group was dried by using oven, second group was by using vacuum freeze dryer methods. Dried carrot prepared from fresh carrot was analysed nutrient matter (energy, crude protein, crude oil, crude ash, beta carotene, mineral concentration and colour). The differences between groups in terms of energy, crude protein, ash, Ca and Mg was not significant (P>0,05). Crude oil, P, beta carotene content and colour values (L, a, b) with vacuum-freeze dryer group was greater than oven group (P<0,05). Consequently, carrot powder obtained by drying the vacuum-freeze dryer method can be used as a source of carotene. 

Keywords: Carrot, vacuum freeze dryer, oven, beta carotene.

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Authors: Nadezhda Nikolaeva, Tatyana Alexandrova, Alexandr Alexandrov

Abstract:

Processing of high-silicon bauxite on the base of the traditional clinkering method is related to high power consumption and capital investments, which makes production of alumina from those ores non-competitive in terms of basic economic showings. For these reasons, development of technological solutions enabling to process bauxites with various chemical and mineralogical structures efficiently with low level of thermal power consumption is important. Flow sheet of the studies on washability of ores from the Timanskoe and the Severo-Onezhskoe deposits is on the base of the flotation method.

Keywords: Low-quality bauxite, resource-saving technology, optimization, aluminum, conditioning of composition, separation characteristics.

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Authors: Niramol Juntarachat, Romain Privat, Jean-Noël Jaubert

Abstract:

In this paper, vapour-liquid critical locus for the binary system acetone + chloroform was determined experimentally over the whole range of composition. The critical property measurements were carried out using a dynamic-synthetic apparatus, employed in the dynamic mode. The critical points are visually determined by observing the critical opalescence and the simultaneous disappearance and reappearance of the meniscus in the middle of a high-pressure view cell which withstands operations up to 673K and 20MPa. The experimental critical points measured in this work were compared to those available in literature.

Keywords: Experimental measurement, critical point, critical locus, negative azeotrope.

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Authors: S. Yaglikci, B. Salgara, F. Soysal, B. Cicek

Abstract:

Chemical vapor deposition method was used to produce carbon nanotubes on an iron based catalyst from acetylene. Gas-phase samples collected from the different positions of the tubular reactor were analyzed by GC/MS. A variety of species ranging from hydrogen to naphthalene were observed and changes in their concentrations were plotted against the reactor position. Briefly benzene, toluene, styrene, indene and naphthalene were the main higher molecular weight species and vinylacetylene and diacetylene were the important intermediates. Nanotube characterization was performed by scanning electron microscopy and transmission electron microscopy.

Keywords: Carbon nanotubes, chemical vapor deposition, GC/MS, species profile

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Authors: Adil Elrayah, Jie Weng, Esra Suliman

Abstract:

The mineral in human bone is not pure stoichiometric calcium phosphate (Ca/P) as it is partially substituted by in organic elements. In this study, the copper ions (Cu²⁺) substituted hydroxyapatite (CuHA) powder has been synthesized by the co-precipitation method. The CuHA powder has been used to fabricate CuHA fiber scaffolds by sol-gel process and the following sinter process. The resulted CuHA fibers have slightly different microstructure (i.e. porosity) compared to HA fiber scaffold, which is denser. The mechanical properties test was used to evaluate CuHA, and the results showed decreases in both compression strength and hardness tests. Moreover, the in vitro used endothelial cells to evaluate the angiogenesis of CuHA. The result illustrated that the viability of endothelial cell on CuHA fiber scaffold surfaces tends to antigenic behavior. The results obtained with CuHA scaffold give this material benefit in biological applications such as antimicrobial, antitumor, antigens, compacts, filling cavities of the tooth and for the deposition of metal implants anti-tumor, anti-cancer, bone filler, and scaffold.

Keywords: Fiber scaffold, copper ions, hydroxyapatite, hardness, in vitro, mechanical properties.

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Authors: Wei-Hsuan Lee, Chien-Hua Wang, Chin-Tzong Pang

Abstract:

This paper applies fuzzy set theory to evaluate the service quality of online auction. Service quality is a composition of various criteria. Among them many intangible attributes are difficult to measure. This characteristic introduces the obstacles for respondent in replying to the survey. So as to overcome this problem, we invite fuzzy set theory into the measurement of performance. By using AHP in obtaining criteria and TOPSIS in ranking, we found the most concerned dimension of service quality is Transaction Safety Mechanism and the least is Charge Item. Regarding to the most concerned attributes are information security, accuracy and information.

Keywords: AHP, Fuzzy set theory, TOPSIS, Online auction, Servicequality

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Authors: C. A. Alves, A. I. Calvo, D. J. Lopes, T. Nunes, A. Charron, M. Goriaux, P. Tassel, P. Perret

Abstract:

The reduction in vehicle exhaust emissions achieved in the last two decades is offset by the growth in traffic, as well as by changes in the composition of emitted pollutants. The present investigation illustrates the emissions of in-use gasoline and diesel passenger cars using the official European driving cycle and the ARTEMIS real-world driving cycle. It was observed that some of the vehicles do not comply with the corresponding regulations. Significant differences in emissions were observed between driving cycles. Not all pollutants showed a tendency to decrease from Euro 3 to Euro 5.

Keywords: Chassis dynamometer, driving cycles, emission factors, exhaust emissions, light-duty vehicles.

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Authors: Ke Zhang, Fang Li, Haitao Zhang, Hongfang Ma, Weiyong Ying, Dingye Fang

Abstract:

Three alumina-supported Pt-Sn catalysts have been prepared by means of co-impregnation and characterized by XRD and N2 adsorption. The influence of catalyst composition and reaction conditions on the conversion and selectivity were investigated in the hydrogenation of acetic acid in an isothermal integral fixed bed reactor. The experiments were performed on the temperature interval 468-548 K, liquid hourly space velocity (LHSV) of 0.3-0.7h-1, pressures between 1.0 and 5.0Mpa. A good compromise of 0.75%Pt-1.5%Sn can act as an optimized acetic acid hydrogenation catalyst, and the conversion and selectivity can be tuned through the variation of reaction conditions.

Keywords: Acetic acid, hydrogenation, Pt-Sn catalysts, ethanol.

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Authors: Henri El Zakhem, Christina Romanos, Charlie Bakhos, Hassan Chahal, Jessica Koura

Abstract:

Squalene is a valuable component of the oil composed of 30 carbon atoms and is mainly used for cosmetic materials. The main concern of this article is to study the Squalene composition in the Lebanese olive oil and to compare it with foreign oil results. To our knowledge, extraction of Squalene from the Lebanese olive oil has not been conducted before. Three different techniques were studied and experiments were performed on three brands of olive oil, Al Wadi Al Akhdar, Virgo Bio and Boulos. The techniques performed are the Fractional Crystallization, the Soxhlet and the Esterification. By comparing the results, it is found that the Lebanese oil contains squalene and Soxhlet method is the most effective between the three methods extracting about 6.5E-04 grams of Squalene per grams of olive oil.

Keywords: Squalene, extraction, crystallization, Soxhlet.‎

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Authors: Ali A. Sayadi, Thomas R. Neitzert, G. Charles Clifton

Abstract:

Lightweight concrete is being used in the construction industry as a building material in its own right. Ultra-lightweight concrete can be applied as a filler and support material for the manufacturing of composite building materials. This paper is about the development of a stable and reproducible ultra-lightweight concrete with the inclusion of poly-lactic acid (PLA) beads and assessing the feasibility of PLA as a lightweight aggregate that will deliver advantages such as a more eco-friendly concrete and a non-petroleum polymer aggregate. In total, sixty-three samples were prepared and the effectiveness of mineral admixture, curing conditions, water-cement ratio, PLA ratio, EPS ratio and perlite ratio on compressive strength of perlite concrete are studied. The results show that PLA particles are sensitive to alkali environment of cement paste and considerably shrank and lost their strength. A higher compressive strength and a lower density was observed when expanded polystyrene (EPS) particles replaced PLA beads. In addition, a set of equations is proposed to estimate the water-cement ratio, cement content and compressive strength of perlite concrete.

Keywords: Perlite concrete, poly-lactic acid, expanded polystyrene, concrete.

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Authors: Amer Al Mahmoud Alsheikh, Jan Žídek, František Krčma

Abstract:

Using ab initio theoretical calculations, we present analysis of fragmentation process. The analysis is performed in two steps. The first step is calculation of fragmentation energies by ab initio calculations. The second step is application of the energies to kinetic description of process. The energies of fragments are presented in this paper. The kinetics of fragmentation process can be described by numerical models. The method for kinetic analysis is described in this paper. The result - composition of fragmentation products - will be calculated in future. The results from model can be compared to the concentrations of fragments from mass spectrum.

Keywords: Ab initio, Density functional theory, Fragmentation energy, Geometry optimization.

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