Search results for: gibbs energy of formation

Authors: Voronina Ekaterina Borisovna

Abstract:

The problem of expressivity of advertising lexicon is studied in the article. The comparison of English and Russian advertising lexicons is done. The objects of the analysis were English and Russian advertising texts, both printed advertising texts and texts extracted from the commercials. Some conclusions concerning the expressivity of advertising lexicon were made. Expressivity can be included in the semantic structure of words or created by word-formation means. Expressivity caused by morphological derivatives includes such facilities as derivational affixes, models and types of word formation.

Keywords: advertising lexicon, expressivity, word-formation means, linguistics

Procedia PDF Downloads 351

Authors: Trevor C. Brown, David J. Miron

Abstract:

Gas-solid physical adsorption methods are central to the characterization and optimization of the effective surface area, pore size and porosity for applications such as heterogeneous catalysis, and gas separation and storage. Properties such as adsorption uptake, capacity, equilibrium constants and Gibbs free energy are dependent on the composition and structure of both the gas and the adsorbent. However, challenges remain, in accurately calculating these properties from experimental data. Gas adsorption experiments involve measuring the amounts of gas adsorbed over a range of pressures under isothermal conditions. Various constant-parameter models, such as Langmuir and Brunauer-Emmett-Teller (BET) theories are used to provide information on adsorbate and adsorbent properties from the isotherm data. These models typically do not provide accurate interpretations across the full range of pressures and temperatures. The Langmuir adsorption isotherm is a simple approximation for modelling equilibrium adsorption data and has been effective in estimating surface areas and catalytic rate laws, particularly for high surface area solids. The Langmuir isotherm assumes the systematic filling of identical adsorption sites to a monolayer coverage. The BET model is based on the Langmuir isotherm and allows for the formation of multiple layers. These additional layers do not interact with the first layer and the energetics are equal to the adsorbate as a bulk liquid. This BET method is widely used to measure the specific surface area of materials. Both Langmuir and BET models assume that the affinity of the gas for all adsorption sites are identical and so the calculated adsorbent uptake at the monolayer and equilibrium constant are independent of coverage and pressure. Accurate representations of adsorption data have been achieved by extending the Langmuir and BET models to include pressure-varying uptake capacities and equilibrium constants. These parameters are determined using a novel regression technique called flexible least squares for time-varying linear regression. For isothermal adsorption the adsorption parameters are assumed to vary slowly and smoothly with increasing pressure. The flexible least squares for pressure-varying linear regression (FLS-PVLR) approach assumes two distinct types of discrepancy terms, dynamic and measurement for all parameters in the linear equation used to simulate the data. Dynamic terms account for pressure variation in successive parameter vectors, and measurement terms account for differences between observed and theoretically predicted outcomes via linear regression. The resultant pressure-varying parameters are optimized by minimizing both dynamic and measurement residual squared errors. Validation of this methodology has been achieved by simulating adsorption data for n-butane and isobutane on activated carbon at 298 K, 323 K and 348 K and for nitrogen on mesoporous alumina at 77 K with pressure-varying Langmuir and BET adsorption parameters (equilibrium constants and uptake capacities). This modeling provides information on the adsorbent (accessible surface area and micropore volume), adsorbate (molecular areas and volumes) and thermodynamic (Gibbs free energies) variations of the adsorption sites.

Keywords: Langmuir adsorption isotherm, BET adsorption isotherm, pressure-varying adsorption parameters, adsorbate and adsorbent properties and energetics

Procedia PDF Downloads 233

Authors: Razieh Niazmand, Dina Sadat Mousavian, Parvin Sharayei

Abstract:

This study investigated the effect of carboxymethyl cellulose (CMC), tragacanth, and saalab hydrocolloids in two concentrations (0.3%, 0.7%) and different frying media, refined canola oil (RCO), RCO + 1% bene kernel oil (BKO), and RCO + 1 mg/l unsaponifiable matter (USM) of BKO on acrylamide formation in fried potato slices. The hydrocolloid coatings significantly reduced acrylamide formation in potatoes fried in all oils. Increasing the hydrocolloid concentration from 0.3% to 0.7% produced no effective inhibition of acrylamide. The 0.7 % CMC solution was identified as the most promising inhibitor of acrylamide formation in RCO oil, with a 62.9% reduction in acrylamide content. The addition of BKO or USM to RCO led to a noticeable reduction in the acrylamide level in fried potato slices. The findings suggest that a 0.7% CMC solution and RCO+USM are promising inhibitors of acrylamide formation in fried potato products.

Keywords: CMC, frying, potato, saalab, tracaganth

Procedia PDF Downloads 288

Authors: Kritsada Moonpa, Kannipa Motanated, Weerapan Srichan

Abstract:

Hong Hoi Formation is a Middle Triassic deep marine succession presented in outcrops throughout the Lampang Basin of northern Thailand. The primary goal of this research is to diagnose the paleoenvironment, petrographic compositions, and sedimentary sources of the Hong Hoi Formation in Ban Huat, Ngao District. The Triassic Hong Hoi Formation is chosen because the outcrops are continuous and fossils are greatly exposed and abundant. Depositional environment is reconstructed through sedimentological studies along with facies analysis. The Hong Hoi Formation is petrographically divided into two major facies, they are: sandstones with mudstone interbeds, and mudstones or shale with sandstone interbeds. Sandstone beds are lithic arenite and lithic greywacke, volcanic lithic fragments are dominated. Sedimentary structures, paleocurrent data and lithofacies arrangement indicate that the formation deposited in a part of deep marine abyssal plain environment. The sedimentological and petrographic features suggest that during the deposition the Hong Hoi Formation received sediment supply from nearby volcanic arc. This suggested that the intensive volcanic activity within the Sukhothai Arc during the Middle Triassic is the main sediment source.

Keywords: Sukhothai zone, petrography, Hong Hoi formation, Lampang, Triassic

Procedia PDF Downloads 213

Authors: Mahsa Karimpour, Martin Belusko, Ke Xing, Frank Bruno

Abstract:

Traditionally the embodied energy of design choices which reduce operational energy were assumed to have a negligible impact on the life cycle energy of buildings. However with new buildings having considerably lower operational energy, the significance of embodied energy increases. A life cycle assessment of a population of house designs was conducted in a mild and mixed climate zone. It was determined not only that embodied energy dominates life cycle energy, but that the impact on embodied of design choices was of equal significance to the impact on operational energy.

Keywords: building life cycle energy, embodied energy, energy design measures, low energy buildings

Procedia PDF Downloads 771

Authors: Gulcan Sahal, Nermin Hande Avcioglu, Isil Seyis Bilkay

Abstract:

Klebsiella species which are natural colonizers of human upper respiratory and human gastrointestinal tracts are also responsible for every reoccurring nosocomial infections by means of having ability to form slimy layers known as biofilm on many surfaces. Therefore, in this study, investigation of biofilm formation in K. pneumoniae and K. rhinoscleromatis and examination of each Klebsiella strains’ clinical information in the light of their biofilm formation results were aimed. In this respect, biofilm formation of Klebsiella strains was analyzed via crystal violet binding assay. According to our results, biofilm formation levels of K. pneumoniae and K. rhinoscleromatis strains were different from each other. Additionally, in comparison to K. rhinoscleromatis strains, K. pneumoniae was observed to include higher amounts of strong biofilm forming strains. Besides, it was also seen that clinical information of patients from which strong biofilm forming Klebsiella strains were isolated were similar to each other. Our results indicate that there should be more precautions against K. pneumoniae which includes higher amount of strong biofilm forming strains.

Keywords: biofilm formation, Klebsiella pneumoniae, Klebsiella rhinoscleromatis, biosystems engineering

Procedia PDF Downloads 390

Authors: M. E. Semenov, U. Zh. Mirzakimov, A. S. Stoporev, R. S. Pavelev, M. A. Varfolomeev

Abstract:

Gas hydrates are host-guest compounds. Guest molecules can be low molecular weight components of associated petroleum gas (C1-C4 hydrocarbons), carbon dioxide, hydrogen sulfide, nitrogen. Gas hydrates have a number of unique properties that make them interesting from a technological point of view, for example, for storing hydrocarbon gases in solid form under moderate thermobaric conditions. Currently, the possibility of storing and transporting hydrocarbon gases in the form of solid hydrate is being actively explored throughout the world. The hydrate form of gas has a number of advantages, including a significant gas content in the hydrate, relative safety and environmental friendliness of the process. Recently, new developments have been proposed that seek to reduce the number of steps to obtain the finished hydrate, for example, using a pressing device/screw inside the reactor. However, the energy consumption required for the hydrate formation process remains a challenge. Thus, the goal of the current work is to study the patterns and mechanisms of the hydrate formation process using small additions of hydrate formation promoters under static conditions. The study of these aspects will help solve the problem of accelerated production of gas hydrates with minimal energy consumption. New compounds have been developed at Kazan Federal University that can accelerate the formation of methane hydrate with a small amount of promoter in water, not exceeding 0.1% by weight. These promoters were synthesized based on available natural compounds and showed high efficiency in accelerating the growth of methane hydrate. To test the influence of promoters on the process of hydrate formation, standard experiments are carried out under dynamic conditions with stirring. During such experiments, the time at which hydrate formation begins (induction period), the temperature at which formation begins (supercooling), the rate of hydrate formation, and the degree of conversion of water to hydrate are assessed. This approach helps to determine the most effective compound in comparative experiments with different promoters and select their optimal concentration. These experimental studies made it possible to study the features of the formation of associated petroleum gas hydrate from promoter solutions under static conditions. Phase transformations were studied using high-pressure micro-differential scanning calorimetry under various experimental conditions. Visual studies of the growth mode of methane hydrate depending on the type of promoter were also carried out. The work is an extension of the methodology for studying the effect of promoters on the process of associated petroleum gas hydrate formation in order to identify new ways to accelerate the formation of gas hydrates without the use of mixing. This work presents the results of a study of the process of associated petroleum gas hydrate formation using high-pressure differential scanning micro-calorimetry, visual investigation, gas chromatography, autoclave study, and stability data. It was found that the synthesized compounds multiply the conversion of water into hydrate under static conditions up to 96% due to a change in the growth mechanism of associated petroleum gas hydrate. This work was carried out in the framework of the program Priority-2030.

Keywords: gas hydrate, gas storage, promotor, associated petroleum gas

Procedia PDF Downloads 70

Authors: Yuhang Wang

Abstract:

As energy is vital to industrial productivity and human existence, ensuring energy security becomes a critical government responsibility. The Chinese government has implemented the energy transition to safeguard China’s energy security. Throughout this progression, the Chinese government has faced numerous obstacles. This article seeks to describe the causes of China’s energy transition barriers and the steps taken by the Chinese government to overcome them.

Keywords: energy transition, energy market, fragmentation, path dependency

Procedia PDF Downloads 101

Authors: Francisco J. Arias

Abstract:

Consideration is given to a mechanism of heat and mass transport in solutions similar than that of natural convection but with one important difference. Here the mechanism is not promoted by density differences in the fluid occurring due to temperature gradients (coefficient of thermal expansion) but rather by solubility differences due to the thermal dependence of the solubility (coefficient of thermal solubility). Utilizing a simplified physical model, it is shown that by the proper choice of the concentration of a given solution, convection might be induced by the alternating precipitation of the solute -when the solution becomes supersaturated, and its posterior recombination when changes in temperature occurs. The spontaneous change in the Gibbs free energy during the mixing is the driven force for the mechanism. The maximum extractable energy from this new type of thermal convection was derived. Experimental data from a closed-loop circuit was obtained demonstrating the feasibility for continuous separation and recombination of the solution. This type of heat and mass transport -which doesn’t depend on gravity, might potentially be interesting for heat and mass transport downwards (as in solar-roof collectors to inside homes), horizontal (e.g., microelectronic applications), and in microgravity (space technology). Also, because the coefficient of thermal solubility could be positive or negative, the investigated thermo-osmosis convection can be used either for heating or cooling.

Keywords: natural convection, thermal gradient, solubility, osmotic pressure

Procedia PDF Downloads 293

Authors: Aparna Bhat, Rajeshwari Hegde

Abstract:

Renewable energy sources also called non-conventional energy sources that are continuously replenished by natural processes. For example, solar energy, wind energy, bio-energy- bio-fuels grown sustain ably), hydropower etc., are some of the examples of renewable energy sources. A renewable energy system converts the energy found in sunlight, wind, falling-water, sea-waves, geothermal heat, or biomass into a form, we can use such as heat or electricity. Most of the renewable energy comes either directly or indirectly from sun and wind and can never be exhausted, and therefore they are called renewable. This paper presents a review about conventional and renewable energy scenario of India. The paper also presents current status, major achievements and future aspects of renewable energy in India and implementing renewable for the future is also been presented.

Keywords: solar energy, renewabe energy, wind energy, bio-diesel, biomass, feedin

Procedia PDF Downloads 614

Authors: Gulcan Sahal, Behzad Nasseri, Ali Akbar Ebrahimi, Isil Seyis Bilkay

Abstract:

Proteus mirabilis strains which are natural colonizers of healthy individuals’ gastrointestinal tract are also known as common causes of catheter-associated urinary tract infections. Nowadays, as a result of an increased resistance to various antimicrobial drugs, there has been a growing interest in natural products. Therefore, the aim of this study is to investigate biofilm formation of P. mirabilis strains on lemongrass oil containing polycaprolactone nanofibers. Polycaprolactone nanofibers with different lemongrass oil concentrations were successfully prepared by electrospinning and biofilm formation of P. mirabilis on these nanofibers were determined by ‘Crystal Violet Staining Assay’. According to our results, polycaprolactone nanofibers with some lemongrass oil concentrations, decreased biofilm formation of P. mirabilis and this effect increased in parallel with the increase in lemongrass oil concentration. Our results indicate that, polycaprolactone nanofibers with some concentrations of lemongrass oil may provide a treatment against catheter-associated urinary tract infections by means of causing an inhibition on biofilm formation of P. mirabilis.

Keywords: anti-biofilm, biofilm formation, essential oils, nanofibers, proteus mirabilis

Procedia PDF Downloads 412

Authors: Salem Ali Jebreil

Abstract:

In this work, a polyaniline/Iron oxide (PANI/Fe2O3) composite was chemically prepared by oxidative polymerization of aniline in acid medium, in presence of ammonium persulphate as an oxidant and amount of Fe2O3. The composite was characterized by a scanning electron microscopy (SEM). The prepared composite has been used as adsorbent to remove Tartrazine dye form aqueous solutions. The effects of initial dye concentration and temperature on the adsorption capacity of PANI/Fe2O3 for Tartrazine dye have been studied in this paper. The Langmuir and Freundlich adsorption models have been used for the mathematical description of adsorption equilibrium data. The best fit is obtained using the Freundlich isotherm with an R2 value of 0.998. The change of Gibbs energy, enthalpy, and entropy of adsorption has been also evaluated for the adsorption of Tartrazine onto PANI/ Fe2O3. It has been proved according the results that the adsorption process is endothermic in nature.

Keywords: adsorption, composite, dye, polyaniline, tartrazine

Procedia PDF Downloads 287

Authors: V. K. Lamba, Abhinandan Bharti

Abstract:

We investigate the electronic transport properties across the graphene/ pentacene and gold/pentacene interface. Further, we studied the effect of ripples/bends in pentacene using NEGF-DFT approach. Current transport across the pentacene/graphene interface is found to be remarkably different from transport across pentacene/Gold interfaces. We found that current across these interfaces could be accurately modeled by a combination of thermionic and Poole–Frenkel emission. Further, the degree of bend or degrees of the curve formed during ripple formation strongly change the optimized geometric structures, charge distributions, energy bands, and DOS. The misorientation and hybridization of carbon orbitals are associated with a variation in bond lengths and carrier densities, and are the causes of the dramatic changes in the electronic structure during ripple formation. The electrical conductivity decreases with increase in curvature during ripple formation or due to bending of pentacene molecule and a decrease in conductivity is directly proportional to the increase in curvature angle and given by quadratic relation.

Keywords: hetero-junction, grapheme, NEGF-DFT, pentacene, gold/pentacene

Procedia PDF Downloads 232

Authors: Zhuoran Li, Guan Qin

Abstract:

A robust and efficient compositional equilibrium characterization model for hydrate-containing systems is required, especially for time-critical simulations such as subsea pipeline flow assurance analysis, compositional simulation in hydrate reservoirs etc. A multiphase flash calculation framework, which combines Gibbs energy minimization function and cubic plus association (CPA) EoS, is developed to describe the highly non-ideal phase behavior of hydrate-containing systems. A non-iterative eigenvalue problem-solving approach for the trust-region sub-problem is selected to guarantee efficiency. The developed flash model is based on the state-of-the-art objective function proposed by Michelsen to minimize the Gibbs energy of the multiphase system. It is conceivable that a hydrate-containing system always contains polar components (such as water and hydrate inhibitors), introducing hydrogen bonds to influence phase behavior. Thus, the cubic plus associating (CPA) EoS is utilized to compute the thermodynamic parameters. The solid solution theory proposed by van der Waals and Platteeuw is applied to represent hydrate phase parameters. The trust-region method combined with the trust-region sub-problem non-iterative eigenvalue problem-solving approach is utilized to ensure fast convergence. The developed multiphase flash model's accuracy performance is validated by three available models (one published and two commercial models). Hundreds of published hydrate-containing system equilibrium experimental data are collected to act as the standard group for the accuracy test. The accuracy comparing results show that our model has superior performances over two models and comparable calculation accuracy to CSMGem. Efficiency performance test also has been carried out. Because the trust-region method can determine the optimization step's direction and size simultaneously, fast solution progress can be obtained. The comparison results show that less iteration number is needed to optimize the objective function by utilizing trust-region methods than applying line search methods. The non-iterative eigenvalue problem approach also performs faster computation speed than the conventional iterative solving algorithm for the trust-region sub-problem, further improving the calculation efficiency. A new thermodynamic framework of the multiphase flash model for the hydrate-containing system has been constructed in this work. Sensitive analysis and numerical experiments have been carried out to prove the accuracy and efficiency of this model. Furthermore, based on the current thermodynamic model in the oil and gas industry, implementing this model is simple.

Keywords: equation of state, hydrates, multiphase equilibrium, trust-region method

Procedia PDF Downloads 172

Authors: Ayu Minamizawa, Jae-Ho Kim, Susumu Yonezawa

Abstract:

Aqueous peroxotitanium acid solution was prepared by the reaction between H₂O₂ solution and TiO₂ fluorinated using F₂ gas. The coating of TiO₂/SiO₂ multilayer on the surface of polycarbonate (PC) resin was carried out step by step using the TEOS solution and aqueous peroxotitanium acid solution. We confirmed each formation of SiO₂ and TiO₂ layer by scanning electron microscopy and energy-dispersive X-ray spectroscopy, and x-ray photoelectron spectroscopy results. The formation of a TiO₂ thin layer on SiO₂ coated on polycarbonate (PC) was carried out at 120 ℃ and for 15 min ~ 3 h with aqueous peroxotitanium acid solution using a hydrothermal synthesis autoclave reactor. The morphology TiO₂ coating layer largely depended on the reaction time, as shown in the results of SEM-EDS analysis. Increasing the reaction times, the TiO₂ layer expanded uniformly. Moreover, the surface fluorination of the SiO₂ layer can promote the formation of the TiO₂ layer on the surface.

Keywords: aqueous peroxotitanium acid solution, photocatalytic activity, polycarbonate, surface fluorination

Procedia PDF Downloads 118

Authors: Etidel Labidi

Abstract:

Energy efficiency improvement is one of the means to reduce energy consumption and carbon emissions. Recently, some developed countries have implemented the tradable white certificate scheme (TWC) as a new policy instrument based on market approach to support energy efficiency improvements. The major focus of this paper is to compare the White Certificates (TWC) scheme as an innovative policy instrument for energy efficiency improvement to other policy instruments: energy taxes and regulations setting a minimum level of energy efficiency. On the basis of our theoretical discussion and numerical simulation, we show that the white certificates system is the most interesting policy instrument for saving energy because it generates the most important level of energy savings and the least increase in energy service price.

Keywords: energy savings, energy efficiency, energy policy, white certificates

Procedia PDF Downloads 335

Authors: Juan Antonio Mondragon Sanchez, Ruben Santamaria

Abstract:

The DNA G-quadruplex is a four-stranded DNA structure conformed by stacked planes of four base paired guanines (G-quartet). The guanine rich DNA sequences are present in many sites of genomic DNA and can potentially lead to the formation of G-quadruplexes, especially at the 3'-terminus of the human telomeric DNA with many TTAGGG repeats. The formation and stabilization of a G-quadruplex by small ligands at the telomeric region can inhibit the telomerase activity. In turn, the ligands can be used to regulate oncogene expression making the G-quadruplex an attractive target for anticancer therapy. Clearly, the G-quadruplex structured in the telomeric DNA is of fundamental importance for rational drug design. In this context, we investigate two G-quadruplex structures, the first follows from the sequence TTAGGG(TTAGGG)3TT (HUT1), and the second from AAAGGG(TTAGGG)3AA (HUT2), both in a K+ solution. We determine the free energy surfaces of the HUT1 and HUT2 structures and investigate their conformations using replica-exchange metadynamics simulations. The carbonyl-carbonyl distances belonging to different guanines residues are selected as the main collective variables to determine the free energy surfaces. The surfaces exhibit two main local minima, compatible with experiments on the conformational transformations of HUT1 and HUT2 under substitution of the K+ ions by the Na+ ions. The conformational transitions are not observed in short MD simulations without the use of the metadynamics approach. The results of this work should be of help to understand the formation and stability of human telomeric G-quadruplex in environments including the presence of K+ and Na+ ions.

Keywords: g-quadruplex, metadynamics, molecular dynamics, replica-exchange

Procedia PDF Downloads 346

Authors: Henrry Vicente Rojas Asuero, Holger Manuel Benavides Muñoz

Abstract:

Approximately 80% of the energy consumed worldwide is generated from fossil sources, which are responsible for the emission of a large volume of greenhouse gases. For this reason, the global trend, at present, is the widespread use of energy produced from renewable sources. This seeks safety and diversification of energy supply, based on social cohesion, economic feasibility and environmental protection. In this scenario, small hydropower systems (P ≤ 10MW) stand out due to their high efficiency, economic competitiveness and low environmental impact. Small hydropower systems, along with wind and solar energy, are expected to represent a significant percentage of the world's energy matrix in the near term. Among the various technologies present in the state of the art, relating to small hydropower systems, is the Gravitational Water Vortex Power Plant, a recent technology that excels because of its versatility of operation, since it can operate with jumps in the range of 0.70 m-2.00 m and flow rates from 1 m3/s to 20 m3/s. Its operating system is based on the utilization of the energy of rotation contained within a large water vortex artificially induced. This paper presents the study and experimental design of an optimal hydraulic structure with the capacity to induce the artificial formation of a gravitational water vortex trough a system of easy application and high efficiency, able to operate in conditions of very low head and minimum flow. The proposed structure consists of a channel, with variable base, vortex inductor, tangential flow generator, coupled to a circular tank with a conical transition bottom hole. In the laboratory test, the angular velocity of the water vortex was related to the geometric characteristics of the inductor channel, as well as the influence of the conical transition bottom hole on the physical characteristics of the water vortex. The results show angular velocity values of greater magnitude as a function of depth, in addition the presence of the conical transition in the bottom hole of the circular tank improves the water vortex formation conditions while increasing the angular velocity values. Thus, the proposed system is a sustainable solution for the energy supply of rural areas near to watercourses.

Keywords: experimental model, gravitational water vortex power plant, renewable energy, small hydropower

Procedia PDF Downloads 290

Authors: Francis Okodede, Edafe Lucky Okotie

Abstract:

Conventional energy sources based on oil, coal, and natural gas has posed a trait to environment and to human health. Green energy stands as an alternative because it has proved to be eco-friendly. The prospective of renewable energy sources are quite vast as they can, in principle, meet many times the world’s energy demand. Renewable energy sources, such as wind and solar, can provide sustainable energy services based on the use of routinely available indigenous resources. New renewable energy sources (solar energy, wind energy, and modern bio-energy) are currently contributing immensely to global energy demand. A number of studies have shown the potential and contribution of renewable energy to global energy supplies, indicating that in the second half of the 21st century, it is going to be a major source and driver in the telecommunication sector. Green energy contribution might reach as much as 50 percent of global energy demands if the right policies are in place. This work suggests viable non-conventional means of energy supply to power a cellular base station.

Keywords: base station, energy storage, green energy, rotor efficiency, solar energy, wind energy

Procedia PDF Downloads 99

Authors: Mahboobeh Mohadeszadeh, Behzad Padidaran Moghaddam

Abstract:

In order to measuring dinuclear molybdenum complexes formation constant First,the reactants and the products were optimized separately and then, their frequencies were measured. In next level , with using Hartree-fock (HF) and density functional theory (DFT) methods ,Theoretical studies on the geometrical parameters, electronic properties and vibrational frequencies of dinuclear molybdenum complexes [C40H44Mo2N2O20] were investigated . These calculations were performed with the B3LYP, BPV86, B3PW91 and HF theoretical method using the LANL2DZ (for Mo’s) + 6-311G (for others) basis sets. To estimate the error rate between theoretical data and experimental data, RSquare , SError and RMS values that according with the theoretical and experimental parameters found out DFT methods has more integration with experimental data compare to HF methods. In addition, through electron specification of compounds, the percentage of atomic orbital’s attendance in making molecular orbital’s, atoms electrical charge, the sustainable energy resulting and also HOMO and LUMO orbital’s energy achieved.

Keywords: geometrical parameters, hydrogen bonding, electronic properties, vibrational frequencies

Procedia PDF Downloads 274

Authors: Vadim Vagin, Marina Fomina, Oleg Morosin

Abstract:

This paper contains the description of argumentation approach for the problem of inductive concept formation. It is proposed to use argumentation, based on defeasible reasoning with justification degrees, to improve the quality of classification models, obtained by generalization algorithms. The experiment’s results on both clear and noisy data are also presented.

Keywords: argumentation, justification degrees, inductive concept formation, noise, generalization

Procedia PDF Downloads 442

Authors: Y. Johnson

Abstract:

Study of multi-satellite formation flight systems has drawn wide attention recently due to so many potential advantages. The present work aims to model the relative motion dynamics in terms of change in classical orbital parameters between the two satellites-chief and deputy- under Earth’s oblateness effect. The required impulsive thrust control is calculated to minimize these orbital parameter changes. The formation configuration is initialized by selecting a set of orbital parameters for the chief and deputy satellites such that bounded motion is maintained for a long time in a J_2-invariant relative non-circular orbit between the satellites. The solution of J_2-modified Hill’s equations is also derived in this paper.

Keywords: satellite, formation flight, j2 effect, control

Procedia PDF Downloads 273

Authors: A. Azizi, M. Toubane, L. Chetibi

Abstract:

Differential scanning calorimetry (DSC) is a widely used technique for the study of phase transformations, particularly in the study of precipitation. The kinetic of the precipitation and dissolution is always related to the concept of activation energy Ea. The determination of the activation energy gives important information about the kinetic of the precipitation reaction. In this work, we were interested in the study of the isothermal and non-isothermal treatments on the decomposition of the supersaturated solid solution in the alloy AZ91 (Mg-9 Al-Zn 1-0.2 Mn. mass fraction %), using Differential Calorimetric method. Through this method, the samples were heat treated up to 425° C, using different rates. To calculate the apparent activation energies associated with the formation of precipitated phases, we used different isoconversional methods. This study was supported by other analysis: X-ray diffraction and microhardness measurements.

Keywords: calorimetric, activation energy, AZ91 alloys, microstructural evolution

Procedia PDF Downloads 440

Authors: Abbas R. Ali, Diana A. Bayiz

Abstract:

14 mudstone samples were collected within the sedimentary succession of Mukdadiya Formation (Late Miocene – Early Pliocene) from Shewasoor area at Northeastern Iraq. The samples were subjected to laboratory studies including mineralogical analysis (using X-ray Diffraction technique) in order to identify the clay mineralogy of Mukdadiya Formation of both clay and non-clay minerals. The results of non-clay minerals are: quartz, feldspar and carbonate (calcite and dolomite) minerals. The clay minerals are: montmorillonite, kaolinite, palygorskite, chlorite, and illite by the major basal reflections of each mineral. The origins of these minerals are deduced also.

Keywords: Mukdadiya Formation, mudstone, clay minerals, XRD, Shewasoor

Procedia PDF Downloads 347

Authors: Hassan M. Baioumy, Yuniarti Ulfa

Abstract:

Paleozoic, Mesozoic and Cenozoic black shales that can be a potential source of energy and precious metals are widely distributed in Malaysia Peninsula, Sarawak and Sabah. Two Paleozoic black shales outcrops were reported in the Langkawi Island belonging to the Cambrian fluvial Machinchang Formation and the Silurian glaciomarine Singa Formation. More the seventeen occurrences of Paleozoic black shales outcrops have been found in the Peninsular Malaysia that range in age from Devonian, Carboniferous, and Permian in the Terengganu, Perlis, Pahang, and Perak States. Mesozoic black shales outcrops occur in several places in both the Peninsular Malaysia and Sarawak. In the Peninsular Malaysia, Triassic black shales occur in the Nami area, Northern Kedah and in the Pahang area. In Sarawak, Triassic black shales have been reported in the Bau area. Cenozoic black shales outcrops were reported in both Sarawak at Miri area and Sabah at the Ranau and Tenom areas. Preliminary mineralogical and geochemical investigations on some of these black shales outcrops showed distinct compositional variations among these black shales outcrops probably due to variations in their source area composition and/or depositional and diagenetic settings of these shales. Some of these shalese also subjected to post-depositional hydrothermal mineralization that enriched these shales with Au-bearing minerals such as pyrite, calchopyrite, and arsenopyrite. Many of the studied black shales outcrops look rich in organic matter, which increase the possibility of using these black shales as an unconventional energy resource.

Keywords: black shales, energy, mineralization, Malaysia

Procedia PDF Downloads 428

Authors: Nadjib Dahdouh, Samira Amokrane, Elhadj Mekatel, Djamel Nibou

Abstract:

The removal of Basic Yellow 28 (BY28) from aqueous solutions by plastic wastes PMMA was investigated. The characteristics of plastic wastes PMMA were determined by SEM, FTIR and chemical composition analysis. The effects of solution pH, initial Basic Yellow 28 (BY28) concentration C, solid/liquid ratio R, and temperature T were studied in batch experiments. The Freundlich and the Langmuir models have been applied to the adsorption process, and it was found that the equilibrium followed well Langmuir adsorption isotherm. A comparison of kinetic models applied to the adsorption of BY28 on the PMMA was evaluated for the pseudo-first-order and the pseudo-second-order kinetic models. It was found that used models were correlated with the experimental data. Intraparticle diffusion model was also used in these experiments. The thermodynamic parameters namely the enthalpy ∆H°, entropy ∆S° and free energy ∆G° of adsorption of BY28 on PMMA were determined. From the obtained results, the negative values of Gibbs free energy ∆G° indicated the spontaneity of the adsorption of BY28 by PMMA. The negative values of ∆H° revealed the exothermic nature of the process and the negative values of ∆S° suggest the stability of BY28 on the surface of SW PMMA.

Keywords: removal, Waste PMMA, BY28 dye, equilibrium, kinetic study, thermodynamic study

Procedia PDF Downloads 153

Authors: A. Beril Tugrul

Abstract:

Demand on production and thereby the global need of energy is growing continuously. Each country has different trends on energy demand and supply according to their geopolitical and geographical locations, underground reserves, weather conditions and level of industrialization. Conventional energy resources such as oil, gas and coal –in other words fossil resources- remain dominant on primary energy supply in spite of causing of environmental problems. Energy supply and demand securities are essential within the energy importing and exporting countries. This concept affected all sectors, but especially impressed on political aspects of the countries and also global economic views.

Keywords: energy policy, energy economics, energy strategy, global trends, petro-dollar recycling

Procedia PDF Downloads 476

Authors: Rong Sun, Laihong Shen

Abstract:

La-based perovskite oxygen carriers, especially the doped-La(M)FeO₃, showed excellent performances during chemical looping processes. However, the mechanisms of the undoped and doped La(M)FeO₃ are not clear at present, making the mechanisms clear may help the development of chemical looping technologies. In this paper, the method based on the density function theory (DFT) was used to analysis the influence of Ca, Sr, and Ba doping of La on the electronic structure, while the CO oxidation mechanisms on the surface of LaFeO₃ and Ca-doped LaFeO₃ oxygen carriers were also analyzed. The results showed that the band gap was decreased by the doping of low valence. While the doping of low valence element Ca, Sr, and Ba at La site simultaneously resulted to the moving of the valence band toward high energy and made the valence band cross the Fermi energy level. This was resulted from the holes generated by divalent ion substitution. The holes can change the total magnetization from antiferromagnet to weakly ferromagnetism. The calculation results about the formation of oxygen vacancy showed that substitutions of Ca, Sr, and Ba caused a large drop in oxygen vacancy formation energy, indicating that the bulk oxygen transport was improved. Based on the optimized bulk of the undoped and Ca-doped LaFeO₃(010) surface, the CO adsorption was analyzed. The results indicated that the adsorption energy increased by divalent ion substitution, meaning that the adsorption stability decreased. The results can provide a certain theoretical basis for the development of perovskite oxides in chemical looping technologies.

Keywords: chemical looping technologies, lanthanum ferrate (LaFeO₃), divalent ion substitution, CO oxidation

Procedia PDF Downloads 102

Authors: Inkyu Kim, SangMan Moon

Abstract:

This IEEE 802.11b protocol provides up to 11Mbps data rate, whereas aerospace industry wants to seek higher data rate COTS data link system in the UAV. The Total Maximum Throughput (TMT) and delay time are studied on many researchers in the past years This paper provides theoretical data throughput performance of UAV formation flight data link using the existing 802.11b performance theory. We operate the UAV formation flight with more than 30 quad copters with 802.11b protocol. We may be predicting that UAV formation flight numbers have to bound data link protocol performance limitations.

Keywords: UAV datalink, UAV formation flight datalink, UAV WLAN datalink application, UAV IEEE 802.11b datalink application

Procedia PDF Downloads 392

Authors: Youssef I. Hafez

Abstract:

Since ancient history rivers have been the fostering and favorite place for people and civilizations to live and exist along river banks. However, due to floods and droughts, especially sever conditions due to global warming and climate change, river channels are completely evolving and moving in the lateral direction changing their plan form either through straightening of curved reaches (meander cut-off) or increasing meandering curvature. The lateral shift or shrink of a river channel affects severely the river banks and the flood plain with tremendous impact on the surrounding environment. Therefore, understanding the formation and the continual processes of river channel meandering is of paramount importance. So far, in spite of the huge number of publications about river-meandering, there has not been a satisfactory theory or approach that provides a clear explanation of the formation of river meanders and the mechanics of their associated geometries. In particular two parameters are often needed to describe meander geometry. The first one is a scale parameter such as the meander arc length. The second is a shape parameter such as the maximum angle a meander path makes with the channel mean down path direction. These two parameters, if known, can determine the meander path and geometry as for example when they are incorporated in the well known sine-generated curve. In this study, a uniform excess energy theory is used to illustrate the origin and mechanics of formation of river meandering. This theory advocates that the longitudinal imbalance between the valley and channel slopes (with the former is greater than the second) leads to formation of curved meander channel in order to reduce the excess energy through its expenditure as transverse energy loss. Two relations are developed based on this theory; one for the determination of river channel radius of curvature at the bend apex (shape parameter) and the other for the determination of river channel sinuosity. The sinuosity equation tested very well when applied to existing available field data. In addition, existing model data were used to develop a relation between the meander arc length and the Darcy-Weisback friction factor. Then, the meander wave length was determined from the equations of the arc length and the sinuosity. The developed equation compared well with available field data. Effects of the transverse bed slope and grain size on river channel sinuosity are addressed. In addition, the concept of maximum channel sinuosity is introduced in order to explain the changes of river channel plan form due to changes in flow discharges and sediment loads induced by global warming and climate changes.

Keywords: river channel meandering, sinuosity, radius of curvature, meander arc length, uniform excess energy theory, transverse energy loss, transverse bed slope, flow discharges, sediment loads, grain size, climate change, global warming

Procedia PDF Downloads 223