Search results for: Chemical equilibrium

Authors: Krasimir I. Ivanov, Elitsa N. Kolentsova, Dimitar Y. Dimitrov, Petya Ts. Petrova, Tatyana T. Tabakova

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This work studies the effect of chemical composition on the activity and selectivity of γ–alumina supported CuO/ MnO2/Cr2O3 catalysts toward deep oxidation of CO, dimethyl ether (DME) and methanol. The catalysts were prepared by impregnation of the support with an aqueous solution of copper nitrate, manganese nitrate and CrO3 under different conditions. Thermal, XRD and TPR analysis were performed. The catalytic measurements of single compounds oxidation were carried out on continuous flow equipment with a four-channel isothermal stainless steel reactor. Flow-line equipment with an adiabatic reactor for simultaneous oxidation of all compounds under the conditions that mimic closely the industrial ones was used. The reactant and product gases were analyzed by means of on-line gas chromatographs. On the basis of XRD analysis it can be concluded that the active component of the mixed Cu-Mn-Cr/γ–alumina catalysts consists of at least six compounds – CuO, Cr2O3, MnO2, Cu1.5Mn1.5O4, Cu1.5Cr1.5O4 and CuCr2O4, depending on the Cu/Mn/Cr molar ratio. Chemical composition strongly influences catalytic properties, this influence being quite variable with regards to the different processes. The rate of CO oxidation rapidly decrease with increasing of chromium content in the active component while for the DME was observed the reverse trend. It was concluded that the best compromise are the catalysts with Cu/(Mn + Cr) molar ratio 1:5 and Mn/Cr molar ratio from 1:3 to 1:4.

Keywords: Copper-manganese-chromium oxide catalysts, CO, deep oxidation, volatile organic compounds.

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Authors: Yang Zhong, Mei-jie Xu

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To study the dynamic mechanics response of asphalt pavement under the temperature load and vehicle loading, asphalt pavement was regarded as multilayered elastic half-space system, and theory analysis was conducted by regarding dynamic modulus of asphalt mixture as the parameter. Firstly, based on the dynamic modulus test of asphalt mixture, function relationship between the dynamic modulus of representative asphalt mixture and temperature was obtained. In addition, the analytical solution for thermal stress in single layer was derived by using Laplace integral transformation and Hankel integral transformation respectively by using thermal equations of equilibrium. The analytical solution of calculation model of thermal stress in asphalt pavement was derived by transfer matrix of thermal stress in multilayer elastic system. Finally, the variation of thermal stress in pavement structure was analyzed. The result shows that there is obvious difference between the thermal stress based on dynamic modulus and the solution based on static modulus. So the dynamic change of parameter in asphalt mixture should be taken into consideration when theoretical analysis is taken out.

Keywords: Asphalt pavement, dynamic modulus, integral transformation, transfer matrix, thermal stress.

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Authors: Svetlana Perović, Svetislav Popović

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Aspect of visual perception occupies a central position in shaping the physical structure of a city. This paper discusses the visual characteristics of utopian cities and their impact on the shaping of real urban structures. Utopian examples of cities will not be discussed in terms of social and sociological conditions, but rather the emphasis is on urban utopias and ideal cities that have achieved or have had potential impact on the shape of the physical structure of Nikšić. It is a Renaissance-Baroque period with a touch of classicism. The paper’s emphasis is on the physical dimension, not excluding the importance of social equilibrium, studies of which are dating back to Aristotle, Plato, Thomas More, Robert Owen, Tommaso Campanella and others. The emphasis is on urban utopias and their impact on the development of sustainable physical structure of a real city in the context of visual perception. In the case of Nikšić, this paper identifies the common features of a real city and a utopian city, as well as criteria for sustainable urban development in the context of visual achievement.

Keywords: Physical Structure of Nikšić, Utopia and Ideal City, Visual Perception.

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Authors: S. Dikmen Kucuk, A. Tozluoglu, Y. Guner

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In recent years, petroleum-based polymers began to be limited due to effects on human and environmental point of view in many countries. Thus, organic-based biodegradable materials have attracted much interest in the composite industry because of environmental concerns. As a result of this, it has been asked that inorganic and petroleum-based materials should be reduced and altered with biodegradable materials. In this point, in this study, it is aimed to investigate the potential of use of TEMPO (2,2,6,6- tetramethylpiperidine 1-oxyl)-mediated oxidation nano-fibrillated cellulose instead of EPDM (ethylene-propylene-diene monomer) rubber, which is a petroleum-based material. Thus, the exchange of petroleum-based EPDM rubber with organic based cellulose nanofibers, which are environmentally friendly (green) and biodegradable, will be realized. The effect of tempo-oxidized cellulose nanofibers (TCNF) instead of EPDM rubber was analyzed by rheological, mechanical, chemical, thermal and aging analyses. The aged surfaces were visually scrutinized and surface morphological changes were examined via scanning electron microscopy (SEM). The results obtained showed that TEMPO oxidation nano-fibrillated cellulose can be used at an amount of 1.0 and 2.2 phr resulting the values stay within tolerance according to customer standard and without any chemical degradation, crack, colour change or staining.

Keywords: EPDM, cellulose, green materials, nanofibrillated cellulose, TCNF, tempo-oxidized nanofiber.

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Authors: Abdelatief S. H. El-Jasser

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The aim of the present study was to investigate the chemical and biological properties of local cowpea seed protein cultivated in Gizan region. The results showed that the cowpea and its products contain high level of protein (22.9-77.6%), high carbohydrates (9.4-64.3%) and low fats (0.1-0.3%). The trypsin and chymotrypsin activities were found to be 32.2 and 15.2 units, respectively. These activities were not affected in both defatted and protein concentrate whereas they were significantly reduced in isolated protein and cooked samples. The phytate content of cooked and concentrated cowpea samples varied from 0.25% -0.32%, respectively. Tannin content was found to be 0.4% and 0.23% for cooked and raw samples, respectively. The in vitro protein digestibility was very high in cowpea seeds (75.04-78.76%). The biological evaluation using rats showed that the group fed with animal feed containing casein gain more weight than those fed with that containing cowpea. However, the group fed with cooked cowpea gain more weight than those fed with uncooked cowpea. On the other hand, in vivo digestion showed high value (98.33%) among the group consumed casein compared to other groups those consumed cowpea contains feed. This could be attributed to low antinutritional factors in casein contains feed compared to those of cowpea contains feed because cooking significantly increased the digestion rate (80.8% to 83.5%) of cowpea contains feed. Furthermore, the biological evaluation was high (91.67%) of casein containing feed compared to that of cowpea containing feed (80.83%-87.5%). The net protein utilization (NPU) was higher (89.67%) in the group fed with casein containing feed than that of cowpea containing feed (56.33%-69.67%).

Keywords: Biological properties, Cowpea seed protein, Antinutritional factors, In vitro digestibility

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Authors: Ime R. Udotong, Justina I. R. Udotong

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Mobil Producing Nigeria Unlimited (MPNU), a subsidiary of ExxonMobil and the highest crude oil & condensate producer in Nigeria has its operational base and an oil terminal, the Qua Iboe terminal (QIT) located at Ibeno, Nigeria. Other oil companies like Network Exploration and Production Nigeria Ltd, Frontier Oil Ltd; Shell Petroleum Development Company Ltd; Elf Petroleum Nigeria Ltd and Nigerian Agip Energy, a subsidiary of the Italian ENI E&P operate onshore, on the continental shelf and in deep offshore of the Atlantic Ocean, respectively with the coastal waters of Ibeno, Nigeria as the nearest shoreline. This study was designed to delineate the oil-polluted sites in Ibeno, Nigeria using microbiological and physico-chemical characterization of soils, sediments and ground and surface water samples from the study area. Results obtained revealed that there have been significant recent hydrocarbon inputs into this environment as observed from the high counts of hydrocarbonoclastic microorganisms in excess of 1% at all the stations sampled. Moreover, high concentrations of THC, BTEX and heavy metals contents in all the samples analyzed corroborate the high recent crude oil input into the study area. The results also showed that the pollution of the different environmental media sampled were of varying degrees, following the trend: ground water > surface water > sediments > soils.

Keywords: Microbiological characterization, oil-polluted sites, physico-chemical analyses, total hydrocarbon content.

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Authors: Livinus A. Obasi, Augustine N. Ajah

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Biotechnology in recent times has tried to develop a mechanism whereby sustainable electricity can be generated by the activity of microorganisms on waste and renewable biomass (often regarded as “negative value”) in a device called microbial fuel cell, MFC. In this paper, we established how the biocatalytic activities of bacteria on organic matter (substrates) produced some electrons with the associated removal of some water pollution parameters; Biochemical oxygen demand (BOD), chemical oxygen demand (COD) to the tune of 77.2% and 88.3% respectively from a petrochemical sanitary wastewater. The electricity generation was possible by conditioning the bacteria to operate anaerobically in one chamber referred to as the anode while the electrons are transferred to the fully aerated counter chamber containing the cathode. Power densities ranging from 12.83 mW/m² to 966.66 mW/m² were achieved using a dual-chamber starch membrane MFC experimental set-up. The maximum power density obtained in this research shows an improvement in the use of low cost MFC set up to achieve power production. Also, the level of organic matter removal from the sanitary waste water by the operation of this device clearly demonstrates its potential benefit in achieving an improved benign environment. The beauty of the MFCs is their potential utility in areas lacking electrical infrastructures like in most developing countries.

Keywords: Bioelectricity, chemical oxygen demand, microbial fuel cell, sanitary wastewater, wheat starch.

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Authors: Diriba T. Balcha, Boris Kulig, Oliver Hensel, Eyassu Woldesenbet

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Enset fiber is agricultural waste and available in a surplus amount in Ethiopia. However, the hypothesized variation in properties of this fiber due to diversity of its plant source breed, fiber position within plant stem and chemical treatment duration had not proven that its application for the development of composite products is problematic. Currently, limited data are known on the functional properties of the fiber as a potential functional fiber. Thus, an effort is made in this study to narrow the knowledge gaps by characterizing it. The experimental design was conducted using Design-Expert software and the tensile test was conducted on Enset fiber from 10 breeds: Dego, Dirbo, Gishera, Itine, Siskela, Neciho, Yesherkinke, Tuzuma, Ankogena, and Kucharkia. The effects of 5% Na-OH surface treatment duration and fiber location along and across the plant pseudostem was also investigated. The test result shows that the rupture stress variation is not significant among the fibers from 10 Enset breeds. However, strain variation is significant among the fibers from 10 Enset breeds that breed Dego fiber has the highest strain before failure. Surface treated fibers showed improved rupture strength and elastic modulus per 24 hours of treatment duration. Also, the result showed that chemical treatment can deteriorate the load-bearing capacity of the fiber. The raw fiber has the higher load-bearing capacity than the treated fiber. And, it was noted that both the rupture stress and strain increase in the top to bottom gradient, whereas there is no significant variation across the stem. Elastic modulus variation both along and across the stem was insignificant. The rupture stress, elastic modulus, and strain result of Enset fiber are 360.11 ± 181.86 MPa, 12.80 ± 6.85 GPa and 0.04 ± 0.02 mm/mm, respectively. These results show that Enset fiber is comparable to other natural fibers such as abaca, banana, and sisal fibers and can be used as alternatives natural fiber for composites application. Besides, the insignificant variation of properties among breeds and across stem is essential for all breeds and all leaf sheath of the Enset fiber plant for fiber extraction. The use of short natural fiber over the long is preferable to reduce the significant variation of properties along the stem or fiber direction. In conclusion, Enset fiber application for composite product design and development is mechanically feasible.

Keywords: Agricultural waste, chemical treatment, fiber characteristics, natural fiber.

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Authors: J. E. Oti, J. M. Kinuthia, R. Robinson, P. Davies

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This work reports the potential of using Palm Kernel (PK) ash and shell as a partial substitute for Portland Cement (PC) and coarse aggregate in the development of mortar and concrete. PK ash and shell are agro-waste materials from palm oil mills, the disposal of PK ash and shell is an environmental problem of concern. The PK ash has pozzolanic properties that enables it as a partial replacement for cement and also plays an important role in the strength and durability of concrete, its use in concrete will alleviate the increasing challenges of scarcity and high cost of cement. In order to investigate the PC replacement potential of PK ash, three types of PK ash were produced at varying temperature (350-750C) and they were used to replace up to 50% PC. The PK shell was used to replace up to 100% coarse aggregate in order to study its aggregate replacement potential. The testing programme included material characterisation, the determination of compressive strength, tensile splitting strength and chemical durability in aggressive sulfatebearing exposure conditions. The 90 day compressive results showed a significant strength gain (up to 26.2 N/mm2). The Portland cement and conventional coarse aggregate has significantly higher influence in the strength gain compared to the equivalent PK ash and PK shell. The chemical durability results demonstrated that after a prolonged period of exposure, significant strength losses in all the concretes were observed. This phenomenon is explained, due to lower change in concrete morphology and inhibition of reaction species and the final disruption of the aggregate cement paste matrix.

Keywords: Sustainability, Concrete, mortar, Palm kernel shell, compressive strength, consistency.

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Authors: H. C. O. Reis, A. S. Cossolin, B. A. P. Santos, K. C. Castro, G. M. Pereira, V. C. Silva, P. T. Sousa Jr, E. L. Dall’Oglio, L. G. Vasconcelos, E. B. Morais

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In this study, malt bagasse, a low-cost waste biomass, was tested as a biosorbent to remove the cationic dye Malachite green (MG) from aqueous solution. Batch biosorption experiments were investigated as functions of different experimental parameters such as initial pH, salt (NaCl) concentration, contact time, temperature and initial dye concentration. Higher removal rates of MG were obtained at pH 8 and 10. The equilibrium and kinetic studies suggest that the biosorption follows Langmuir isotherm and the pseudo-second-order model. The maximum monolayer adsorption capacity was estimated at 117.65 mg/g (at 45 °C). According to Dubinin–Radushkevich (D-R) isotherm model, biosorption of MG onto malt bagasse occurs physically. The thermodynamic parameters such as Gibbs free energy, enthalpy and entropy indicated that the MG biosorption onto malt bagasse is spontaneous and endothermic. The results of the ionic strength effect indicated that the biosorption process under study had a strong tolerance under high salt concentrations. It can be concluded that malt bagasse waste has potential for application as biosorbent for removal of MG from aqueous solution.

Keywords: Color removal, kinetic and isotherm studies, thermodynamic parameters, FTIR.

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Authors: A. Pashkevich, A. Klimchik, D. Chablat

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The paper focuses on the enhanced stiffness modeling of robotic manipulators by taking into account influence of the external force/torque acting upon the end point. It implements the virtual joint technique that describes the compliance of manipulator elements by a set of localized six-dimensional springs separated by rigid links and perfect joints. In contrast to the conventional formulation, which is valid for the unloaded mode and small displacements, the proposed approach implicitly assumes that the loading leads to the non-negligible changes of the manipulator posture and corresponding amendment of the Jacobian. The developed numerical technique allows computing the static equilibrium and relevant force/torque reaction of the manipulator for any given displacement of the end-effector. This enables designer detecting essentially nonlinear effects in elastic behavior of manipulator, similar to the buckling of beam elements. It is also proposed the linearization procedure that is based on the inversion of the dedicated matrix composed of the stiffness parameters of the virtual springs and the Jacobians/Hessians of the active and passive joints. The developed technique is illustrated by an application example that deals with the stiffness analysis of a parallel manipulator of the Orthoglide family

Keywords: Robotic manipulators, Stiffness model, Loaded mode, Nonlinear effects, Buckling, Orthoglide manipulator

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Authors: J. Herrero, D. Puigserver, I. Nijenhuis, K. Kuntze, J. M. Carmona

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In the transition zone between aquifers and basal aquitards, the perchloroethene (PCE)-pools are more recalcitrant than those elsewhere in the aquifer. Although biodegradation of chloroethenes occur in this zone, it is a slow process and a remediation strategy is needed. The aim of this study is to demonstrate that combined strategy of biostimulation and in situ chemical reduction (ISCR) is more efficient than the two separated strategies. Four different microcosm experiments with sediment and groundwater of a selected field site where an aged pool exists at the bottom of a transition zone were designed under i) natural conditions, ii) biostimulation with lactic acid, iii) ISCR with zero-value iron (ZVI) and under iv) a combined strategy with lactic acid and ZVI. Biotic and abiotic dehalogenation, terminal electron acceptor processes and evolution of microbial communities were determined for each experiment. The main results were: i) reductive dehalogenation of PCE-pools occurs under sulfate-reducing conditions; ii) biostimulation with lactic acid supports more pronounced reductive dehalogenation of PCE and trichloroethene (TCE), but results in an accumulation of 1,2-cis-dichloroethene (cDCE); iii) ISCR with ZVI produces a sustained dehalogenation of PCE and its metabolites iv) combined strategy of biostimulation and ISCR results in a fast dehalogenation of PCE and TCE and a sustained dehalogenation of cisDCE. These findings suggest that biostimulation and ISCR with ZVI are the most suitable strategies for a complete reductive dehalogenation of PCE-pools in the transition zone and further to enable the dissolution of dense non-aqueous phase liquids.

Keywords: Aged PCE-pool, anaerobic microcosm experiment, biostimulation, in situ chemical reduction, natural attenuation.

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Authors: D. Hephzibah, P. Kumaran, N. M. Saifuddin

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Anaerobic digestion is a well-known technique for sustainable energy recovery from sewage sludge. However, sewage sludge digestion is restricted due to certain factors. Pre-treatment methods have been established in various publications as a promising technique to improve the digestibility of the sewage sludge and to enhance the biogas generated which can be used for energy recovery. In this study, continuous flow microwave (MW) pre-treatment with different intensities were compared by using 5 L semi-continuous digesters at a hydraulic retention time of 27 days. We focused on the effects of MW at different intensities on the sludge solubilization, sludge digestibility, and biogas production of the untreated and MW pre-treated sludge. The MW pre-treatment demonstrated an increase in the ratio of soluble chemical oxygen demand to total chemical oxygen demand (sCOD/tCOD) and volatile fatty acid (VFA) concentration. Besides that, the total volatile solid (TVS) removal efficiency and tCOD removal efficiency also increased during the digestion of the MW pre-treated sewage sludge compared to the untreated sewage sludge. Furthermore, the biogas yield also subsequently increases due to the pre-treatment effect. A higher MW power level and irradiation time generally enhanced the biogas generation which has potential for sustainable energy recovery from sewage treatment plant. However, the net energy balance tabulation shows that the MW pre-treatment leads to negative net energy production.

Keywords: Anaerobic digestion, biogas, microwave pre-treatment, sewage sludge.

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Authors: Florin Leon, Silvia Curteanu

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Developing complete mechanistic models for polymerization reactors is not easy, because complex reactions occur simultaneously; there is a large number of kinetic parameters involved and sometimes the chemical and physical phenomena for mixtures involving polymers are poorly understood. To overcome these difficulties, empirical models based on sampled data can be used instead, namely regression methods typical of machine learning field. They have the ability to learn the trends of a process without any knowledge about its particular physical and chemical laws. Therefore, they are useful for modeling complex processes, such as the free radical polymerization of methyl methacrylate achieved in a batch bulk process. The goal is to generate accurate predictions of monomer conversion, numerical average molecular weight and gravimetrical average molecular weight. This process is associated with non-linear gel and glass effects. For this purpose, an adaptive sampling technique is presented, which can select more samples around the regions where the values have a higher variation. Several machine learning methods are used for the modeling and their performance is compared: support vector machines, k-nearest neighbor, k-nearest neighbor and random forest, as well as an original algorithm, large margin nearest neighbor regression. The suggested method provides very good results compared to the other well-known regression algorithms.

Keywords: Adaptive sampling, batch bulk methyl methacrylate polymerization, large margin nearest neighbor regression, machine learning.

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Authors: A.Campanile, M. Mandarino, V. Piscopo

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This paper deals with the problem of non-uniform torsion in thin-walled elastic beams with asymmetric cross-section, removing the basic concept of a fixed center of twist, necessary in the Vlasov-s and Benscoter-s theories to obtain a warping stress field equivalent to zero. In this new torsion/flexure theory, despite of the classical ones, the warping function will punctually satisfy the first indefinite equilibrium equation along the beam axis and it wont- be necessary to introduce the classical congruence condition, to take into account the effect of the beam restraints. The solution, based on the Fourier development of the displacement field, is obtained assuming that the applied external torque is constant along the beam axis and on both beam ends the unit twist angle and the warping axial displacement functions are totally restrained. Finally, in order to verify the feasibility of the proposed method and to compare it with the classical theories, two applications are carried out. The first one, relative to an open profile, is necessary to test the numerical method adopted to find the solution; the second one, instead, is relative to a simplified containership section, considered as full restrained in correspondence of two adjacent transverse bulkheads.

Keywords: Non-uniform torsion, Asymmetric cross-section, Fourier series, Helmholtz equation, FE method.

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Authors: L. L. Ivy-Yap, H. A. Bekhet

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As the Malaysian residential electricity consumption continued to increase rapidly, effective energy policies, which address factors affecting residential electricity consumption, is urgently needed. This study attempts to investigate the relationship between residential electricity consumption (EC), real disposable income (Y), price of electricity (Pe) and population (Po) in Malaysia for 1978-2011 period. Unlike previous studies on Malaysia, the current study focuses on the residential sector, a sector that is important for the contemplation of energy policy. The Phillips-Perron (P-P) unit root test is employed to infer the stationarity of each variable while the bound test is executed to determine the existence of co-integration relationship among the variables, modelled in an Autoregressive Distributed Lag (ARDL) framework. The CUSUM and CUSUM of squares tests are applied to ensure the stability of the model. The results suggest the existence of long-run equilibrium relationship and bidirectional Granger causality between EC and the macroeconomic variables. The empirical findings will help policy makers of Malaysia in developing new monitoring standards of energy consumption. As it is the major contributing factor in economic growth and CO₂ emission, there is a need for more proper planning in Malaysia to attain future targets in order to cut emissions.

Keywords: Co-integration, Elasticity, Granger causality, Malaysia, Residential electricity consumption.

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Authors: Oluseye A. Adeleke, Mohd. F. M. Salleh

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The performance of any cooperative communication system depends largely on the selection of a proper partner. Another important factor to consider is an efficient allocation of resource like power by the source node to help it in forwarding information to the destination. In this paper, we look at the concepts of partner selection and resource (power) allocation for a distributed communication network. A type of non-cooperative game referred to as Trade-Off game is employed so as to jointly consider the utilities of the source and relay nodes, where in this case, the source is the node that requires help with forwarding of its information while the partner is the node that is willing to help in forwarding the source node’s information, but at a price. The approach enables the source node to maximize its utility by selecting a partner node based on (i) the proximity of the partner node to the source and destination nodes, and (ii) the price the partner node will charge for the help being rendered. Our proposed scheme helps the source locate and select the relay nodes at ‘better’ locations and purchase power optimally from them. It also aids the contending relay nodes maximize their own utilities as well by asking proper prices. Our game scheme is seen to converge to unique equilibrium.

Keywords: Cooperative communication, game theory, node, power allocation, trade-off, utility.

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Authors: Pavel V. Balabanov, Daria A. Liubimova, Aleksandr P. Savenkov

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The increase of technogenic and natural accidents, accompanied by air pollution, for example, by combustion products, leads to the necessity of respiratory protection. This work is devoted to the development of a calorimetric method and a device which allows investigating quickly the kinetics of carbon dioxide sorption by chemisorbents on the base of potassium superoxide in order to assess the protective properties of respiratory protective closed circuit apparatus. The features of the traditional approach for determining the sorption properties in a thin layer of chemisorbent are described, as well as methods and devices, which can be used for the sorption kinetics study. The authors developed an approach (as opposed to the traditional approach) based on the power measurement of internal heat sources in the chemisorbent layer. The emergence of the heat sources is a result of exothermic reaction of carbon dioxide sorption. This approach eliminates the necessity of chemical analysis of samples and can significantly reduce the time and material expenses during chemisorbents testing. Error of determining the volume fraction of adsorbed carbon dioxide by the developed method does not exceed 12%. Taking into account the efficiency of the method, we consider that it is a good alternative to traditional methods of chemical analysis under the assessment of the protection sorbents quality.

Keywords: Carbon dioxide chemisorption, exothermic reaction, internal heat sources, respiratory protective apparatus.

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Authors: D. Kurt, Z. U. Yümün, I. F. Barut, E. Kam

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Since the development of the industrial revolution, industrial plants and settlements have spread widely along coastlines. This concentration of development brings environmental pollution to the seas. This study focuses on the Gulf of Izmir, a natural gulf of the Eastern Aegean Sea, located west of Turkey. Investigating marine current sediment is extremely important to detect pollution. This study considered natural radioactivity pollution of the marine environment. Ground drilling cores (the depth of each sediment is different) were taken from four different locations in the Gulf of izmir, Karşıyaka (12.5-13.5 m), Inciralti (6.5-7.5 m), Cesmealti (4.5-5 m) and Bayrakli (10-12 m). These sediment cores were put in preserving bags with weight around 1 kg, and were dried at room temperature to remove moisture. The samples were then sieved into fine powder (100 mesh), and these samples were relocated to 1000 mL polyethylene Marinelli beakers. The prepared sediments were stored for 40 days to reach radioactive equilibrium between uranium and thorium. Gamma spectrometry measurement of each sample was made using an HPGe (High-Purity Germanium) semiconductor detector. In this study, the results display that the average concentrations of the activity values are 8.4 ± 0.23 Bq kg^-1, 19.6 ± 0.51 Bq kg^-1, 8 ± 0.96 Bq kg^-1, 1.93 ± 0.3 Bq kg^-1, and 77.4 ± 0.96 Bq kg^-1, respectively.

Keywords: Gamma, Gulf of Izmir, Eastern Aegean Sea, Turkey, natural radionuclides, pollution.

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Authors: G. V. Novikov, V. S. Sivozhelezov, S. S. Kolesnikov, K. V. Shaitan

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The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behavior.

Keywords: Seven-transmembrane receptors, constitutive activity, activation, x-ray crystallography, principal component analysis, molecular dynamics simulation.

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Authors: Theodore N.S. Karfakis, Anna Andrade, Carolina Volkmer-Castilho, Dennis R. Valle, Eric Arets, Paul van Gardingen

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The aim of the work presented here was to either use existing forest dynamic simulation models or calibrate a new one both within the SYMFOR framework with the purpose of examining changes in stand level basal area and functional composition in response to selective logging considering trees > 10 cm d.b.h for two areas of undisturbed Amazonian non flooded tropical forest in Brazil and one in Peru. Model biological realism was evaluated for forest in the undisturbed and selectively logged state and it was concluded that forest dynamics were realistically represented. Results of the logging simulation experiments showed that in relation to undisturbed forest simulation subject to no form of harvesting intervention there was a significant amount of change over a 90 year simulation period that was positively proportional to the intensity of logging. Areas which had in the dynamic equilibrium of undisturbed forest a greater proportion of a specific ecological guild of trees known as the light hardwoods (LHW’s) seemed to respond more favorably in terms of less deviation but only within a specific range of baseline forest composition beyond which compositional diversity became more important. These finds are in line partially with practical management experience and partiality basic systematics theory respectively.

Keywords: Amazonbasin, ecological species guild, selective logging, simulation modeling.

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Authors: Chao He, Shunhua Zhou, Peijun Guo

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The vast majority of existing underground railway lines consist of twin tunnels. In this paper, the dynamic interaction between two neighboring tunnels in a layered half-space is investigated by an analytical model. The two tunnels are modelled as cylindrical thin shells, while the soil in the form of a layered half-space with two cylindrical cavities is simulated by the elastic continuum theory. The transfer matrix method is first used to derive the relationship between the plane wave vectors in arbitrary layers and the source layer. Thereafter, the wave translation and transformation are introduced to determine the plane and cylindrical wave vectors in the source layer. The solution for the dynamic interaction between twin tunnels in a layered half-space is obtained by means of the compatibility of displacements and equilibrium of stresses on the two tunnel–soil interfaces. By coupling the proposed model with a fully track model, the train-induced vibrations from twin tunnels in a multi-layered half-space are investigated. The numerical results demonstrate that the existence of a neighboring tunnel has a significant effect on ground vibrations.

Keywords: Underground railway, twin tunnels, wave translation and transformation, transfer matrix method.

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Authors: Behnaz Shahrokh, Garnik N. Sargsyan, Arkadi B. Harutyunyan

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Investigations of the unimolecular decomposition of vinyl ethyl ether (VEE), vinyl propyl ether (VPE) and vinyl butyl ether (VBE) have shown that activation of the molecule of a ether results in formation of a cyclic construction - the transition state (TS), which may lead to the displacement of the thermodynamic equilibrium towards the reaction products. The TS is obtained by applying energy minimization relative to the ground state of an ether under the program MM2 when taking into account the hydrogen bond formation between a hydrogen atom of alkyl residue and the extreme atom of carbon of the vinyl group. The dissociation of TS up to the products is studied by energy minimization procedure using the mathematical program Gaussian. The obtained calculation data for VEE testify that the decomposition of this ether may be conditioned by hydrogen bond formation for two possible versions: when α- or β- hydrogen atoms of the ethyl group are bound to carbon atom of the vinyl group. Applying the same calculation methods to other ethers (VPE and VBE) it is shown that only in the case of hydrogen bonding between α-hydrogen atom of the alkyl residue and the extreme atom of carbon of the vinyl group (αH---C) results in decay of theses ethers.

Keywords: Gaussian, MM2, ethers, TS, decomposition

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Authors: Nishant Rodrigues, Nicole Spanedda, Chilukuri K. Mohan, Arindam Chakraborty

Abstract:

A crucial objective in quantum chemistry is the computation of the energy levels of chemical systems. This task requires electron-repulsion integrals as inputs and the steep computational cost of evaluating these integrals poses a major numerical challenge in efficient implementation of quantum chemical software. This work presents a moment-based machine learning approach for the efficient evaluation of electron-repulsion integrals. These integrals were approximated using linear combinations of a small number of moments. Machine learning algorithms were applied to estimate the coefficients in the linear combination. A random forest approach was used to identify promising features using a recursive feature elimination approach, which performed best for learning the sign of each coefficient, but not the magnitude. A neural network with two hidden layers was then used to learn the coefficient magnitudes, along with an iterative feature masking approach to perform input vector compression, identifying a small subset of orbitals whose coefficients are sufficient for the quantum state energy computation. Finally, a small ensemble of neural networks (with a median rule for decision fusion) was shown to improve results when compared to a single network.

Keywords: Quantum energy calculations, atomic orbitals, electron-repulsion integrals, ensemble machine learning, random forests, neural networks, feature extraction.

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Authors: Jahanbakhsh Hamedi, Hassan Zohoor

Abstract:

This article proposes modeling, simulation and kinematic and workspace analysis of a spatial cable suspended robot as incompletely Restrained Positioning Mechanism (IRPM). These types of robots have six cables equal to the number of degrees of freedom. After modeling, the kinds of workspace are defined then an statically reachable combined workspace for different geometric structures of fixed and moving platform is obtained. This workspace is defined as the situations of reference point of the moving platform (center of mass) which under external forces such as weight and with ignorance of inertial effects, the moving platform should be in static equilibrium under conditions that length of all cables must not be exceeded from the maximum value and all of cables must be at tension (they must have non-negative tension forces). Then the effect of various parameters such as the size of moving platform, the size of fixed platform, geometric configuration of robots, magnitude of applied forces and moments to moving platform on workspace of these robots with different geometric configuration are investigated. Obtained results should be effective in employing these robots under different conditions of applied wrench for increasing the workspace volume.

Keywords: Kinematic modeling, applied wrench, workspace, cable based robot.

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Authors: Ho-Jung Ryu, Seung-Yong Lee, Young Cheol Park, Moon-Hee Park

Abstract:

Two-interconnected fluidized bed systems are widely used in various processes such as Fisher-Tropsch, hot gas desulfurization, CO2 capture-regeneration with dry sorbent, chemical-looping combustion, sorption enhanced steam methane reforming, chemical-looping hydrogen generation system, and so on. However, most of two-interconnected fluidized beds systems require riser and/or pneumatic transport line for solid conveying and loopseals or seal-pots for gas sealing, recirculation of solids to the riser, and maintaining of pressure balance. The riser (transport bed) is operated at the high velocity fluidization condition and residence times of gas and solid in the riser are very short. If the reaction rate of catalyst or sorbent is slow, the riser can not ensure sufficient contact time between gas and solid and we have to use two bubbling beds for each reaction to ensure sufficient contact time. In this case, additional riser must be installed for solid circulation. Consequently, conventional two-interconnected fluidized bed systems are very complex, large, and difficult to operate. To solve these problems, a novel two-interconnected fluidized bed system has been developed. This system has two bubbling beds, solid injection nozzles, solid conveying lines, and downcomers. In this study, effects of operating variables on solid circulation rate, gas leakage between two beds have been investigated in a cold mode two-interconnected fluidized bed system. Moreover, long-term operation of continuous solid circulation up to 60 hours has been performed to check feasibility of stable operation.

Keywords: Fluidized bed, Gas leakage, Long-term operation, Solid circulation.

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Authors: A. A. Vasin, N. V. Klassen, A. M. Likhter

Abstract:

Water suspensions of in-organic (metals and oxides) and organic nano-objects (chitozan and collagen) were subjected to the treatment of direct and alternative electrical fields. In addition to quasi-periodical spatial patterning resonance-like performance of spatial distributions of these suspensions has been found at low frequencies of alternating electrical field. These resonances are explained as the result of creation of equilibrium states of groups of charged nano-objects with opposite signs of charges at the interparticle distances where the forces of Coulomb attraction are compensated by the repulsion forces induced by relatively negative polarization of hydrated regions surrounding the nanoparticles with respect to pure water. The low frequencies of these resonances are explained by comparatively big distances between the particles and their big masses with t\respect to masses of atoms constituting molecules with high resonance frequencies. These new resonances open a new approach to detailed modeling and understanding of mechanisms of the influence of electrical fields on the functioning of internal organs of living organisms at the level of cells and neurons.

Keywords: Bio-polymers, chitosan, collagen, nanoparticles, coulomb attraction, polarization repulsion, periodical patterning, electrical low frequency resonances, transformations.

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Authors: L. Bouqbis, H.W. Koyro, M. C. Harrouni, S. Daoud, L. F. Z. Ainlhout, C. I. Kammann

Abstract:

The application of biochar to soils is becoming more and more common. Its application which is generally reported to improve the physical, chemical, and biological properties of soils, has an indirect effect on soil health and increased crop yields. However, many of the previous results are highly variable and dependent mainly on the initial soil properties, biochar characteristics, and production conditions. In this study, two biochars which are biochar II (BC II) derived from a blend of paper sludge and wheat husks and biochar 005 (BC 005) derived from sewage sludge with a KCl additive, are used, and the physical and chemical properties of BC II are characterized. To determine the potential impact of salt stress and toxic and volatile substances, the second part of this study focused on the effect biochars have on germination of salad (Lactuca sativa L.), barley (Hordeum vulgare), and cress (Lepidium sativum) respectively. Our results indicate that Biochar II showed some unique properties compared to the soil, such as high EC, high content of K, Na, Mg, and low content of heavy metals. Concerning salad and barley germination test, no negative effect of BC II and BC 005 was observed. However, a negative effect of BC 005 at 8% level was revealed. The test of the effect of volatile substances on germination of cress revealed a positive effect of BC II, while a negative effect was observed for BC 005. Moreover, the water holding capacities of biochar-sand mixtures increased with increasing biochar application. Collectively, BC II could be safely used for agriculture and could provide the potential for a better plant growth.

Keywords: Biochar, phytotoxic tests, seedlings growth, water holding capacity.

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Authors: Z. El Felsoufi, L. Azrar

Abstract:

This paper studies a mathematical model based on the integral equations for dynamic analyzes numerical investigations of a non-uniform or multi-material composite beam. The beam is subjected to a sub-tangential follower force and elastic foundation. The boundary conditions are represented by generalized parameterized fixations by the linear and rotary springs. A mathematical formula based on Euler-Bernoulli beam theory is presented for beams with variable cross-sections. The non-uniform section introduces non-uniformity in the rigidity and inertia of beams and consequently, more complicated equilibrium who governs the equation. Using the boundary element method and radial basis functions, the equation of motion is reduced to an algebro-differential system related to internal and boundary unknowns. A generalized formula for the deflection, the slope, the moment and the shear force are presented. The free vibration of non-uniform loaded beams is formulated in a compact matrix form and all needed matrices are explicitly given. The dynamic stability analysis of slender beam is illustrated numerically based on the coalescence criterion. A realistic case related to an industrial chimney is investigated.

Keywords: Chimney, BEM and integral equation formulation, non uniform cross section, vibration and Flutter.

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Authors: V. Khosravi, F. D. Ardejani, A. Aryafar, M. Sedighi

Abstract:

Heavy metals have a damaging impact for the environment, animals and humans due to their extreme toxicity and removing them from wastewaters is a very important and interesting task in the field of water pollution control. Biosorption is a relatively new method for treatment of wastewaters and recovery of heavy metals. In this study, a continuous fixed bed study was carried out by using Bacillus thuringiensis as a biosorbent for the removal of Cu and Mn ions from Sarcheshmeh Acid Mine Drainage (AMD). The effect of operating parameters such as flow rate and bed height on the sorption characteristics of B. thuringiensis was investigated at pH 6.0 for each metal ion. The experimental results showed that the breakthrough time decreased with increasing flow rate and decreasing bed height. The data also indicated that the equilibrium uptake of both metals increased with decreasing flow rate and increasing bed height. BDST, Thomas, and Yoon–Nelson models were applied to experimental data to predict the breakthrough curves. All models were found suitable for describing the whole dynamic behavior of the column with respect to flow rate and bed height. In order to regenerate the adsorbent, an elution step was carried out with 1 M HCl and five adsorption-desorption cycles were carried out in continuous manner.

Keywords: Acid Mine Drainage, Bacillus thuringiensis, Biosorption, Cu and Mn ions, Fixed bed.

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